smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@@H]2C[N@H+](Cc3ccccc3F)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000019712850 856427217 /nfs/dbraw/zinc/42/72/17/856427217.db2.gz FDGONMUJYVTGML-WPYKKVEZSA-N 1 0 382.479 3.861 40 0 GHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3cccc(C)c3OC)n(C)n2)CC1 ZINC000257214104 858610105 /nfs/dbraw/zinc/61/01/05/858610105.db2.gz CKNKAPYOBBTTQN-WGSAOQKQSA-N 1 0 384.568 3.862 40 0 GHABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000006026479 204161031 /nfs/dbraw/zinc/16/10/31/204161031.db2.gz BSNSUSSKEDAEHN-UHFFFAOYSA-N 1 0 396.560 3.572 40 0 GHABRO CCn1c(C[N@@H+]2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)nc2ccccc21 ZINC000012087319 204370200 /nfs/dbraw/zinc/37/02/00/204370200.db2.gz JXHQAHUBKMAOHR-KRWDZBQOSA-N 1 0 387.491 3.616 40 0 GHABRO C[C@H](O)C[N@H+](Cc1cccn1-c1cccc(F)c1)Cc1ccc2c(c1)OCO2 ZINC000012147973 204376656 /nfs/dbraw/zinc/37/66/56/204376656.db2.gz QLZIDIOTLXILOP-INIZCTEOSA-N 1 0 382.435 3.728 40 0 GHABRO CCc1cccc2c(CC(=O)N(CC[NH+](C)C)Cc3cccnc3)c(C)[nH]c21 ZINC000012222266 204384936 /nfs/dbraw/zinc/38/49/36/204384936.db2.gz YDVBHDCKRFWRHP-UHFFFAOYSA-N 1 0 378.520 3.567 40 0 GHABRO Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000012238181 204387115 /nfs/dbraw/zinc/38/71/15/204387115.db2.gz NWBVNJNOJGMMCJ-UHFFFAOYSA-N 1 0 385.458 3.887 40 0 GHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012293442 204389980 /nfs/dbraw/zinc/38/99/80/204389980.db2.gz PXLLNBNSXKKVJZ-FGZHOGPDSA-N 1 0 381.516 3.996 40 0 GHABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329907 204398722 /nfs/dbraw/zinc/39/87/22/204398722.db2.gz ZLQGCNQIYZJAPZ-VXKWHMMOSA-N 1 0 397.515 3.696 40 0 GHABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000012328863 204399318 /nfs/dbraw/zinc/39/93/18/204399318.db2.gz BFLAWEJFVKXSHN-MRXNPFEDSA-N 1 0 382.479 3.777 40 0 GHABRO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1C ZINC000038858174 205040157 /nfs/dbraw/zinc/04/01/57/205040157.db2.gz KYSMFNSKBCOEME-QGZVFWFLSA-N 1 0 384.451 3.771 40 0 GHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cn2ccnc2)cc1 ZINC000038831771 205039042 /nfs/dbraw/zinc/03/90/42/205039042.db2.gz WSHRFEFYMCLEGN-UHFFFAOYSA-N 1 0 388.515 3.847 40 0 GHABRO COc1ccccc1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044906641 205089110 /nfs/dbraw/zinc/08/91/10/205089110.db2.gz NGOPAKPWMBTWIG-FQEVSTJZSA-N 1 0 384.495 3.795 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072348760 205331172 /nfs/dbraw/zinc/33/11/72/205331172.db2.gz XRZBREMUQKEWCU-IBGZPJMESA-N 1 0 383.511 3.859 40 0 GHABRO Fc1cccc(-c2ccc(C[NH+]3CCC(c4nnc5n4CCNC5)CC3)cc2)c1 ZINC000072372075 205335201 /nfs/dbraw/zinc/33/52/01/205335201.db2.gz LOVZNEXETVBIBK-UHFFFAOYSA-N 1 0 391.494 3.567 40 0 GHABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1C ZINC000072370353 205335688 /nfs/dbraw/zinc/33/56/88/205335688.db2.gz AKSFPIFOUDXTAP-MRXNPFEDSA-N 1 0 382.533 3.510 40 0 GHABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1ccnn1C ZINC000072370605 205336196 /nfs/dbraw/zinc/33/61/96/205336196.db2.gz AIZIPCDVZDQUTG-HNNXBMFYSA-N 1 0 382.533 3.592 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nccnc3Oc3cccnc3C)C2)cn1 ZINC000072384328 205339568 /nfs/dbraw/zinc/33/95/68/205339568.db2.gz JAYIYXZRBGVGGB-GOSISDBHSA-N 1 0 378.480 3.568 40 0 GHABRO C[NH+](C)CCNC(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 ZINC000096154321 205535836 /nfs/dbraw/zinc/53/58/36/205535836.db2.gz CHGWPGUUCMBUQZ-UHFFFAOYSA-N 1 0 394.406 3.580 40 0 GHABRO O=C(CN1c2cccc3cccc(c23)C1=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224604470 206024105 /nfs/dbraw/zinc/02/41/05/206024105.db2.gz DUGYWCXPQDKQIA-UHFFFAOYSA-N 1 0 399.494 3.712 40 0 GHABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)cc1 ZINC000225055535 206035794 /nfs/dbraw/zinc/03/57/94/206035794.db2.gz ZTGPOXGFDJARCW-UHFFFAOYSA-N 1 0 395.528 3.759 40 0 GHABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cc(-c2ccco2)[nH]n1 ZINC000028239549 206039321 /nfs/dbraw/zinc/03/93/21/206039321.db2.gz BSPPIZANBPXWEP-UHFFFAOYSA-N 1 0 380.448 3.787 40 0 GHABRO OC1(c2csc(CN3CCc4ccccc4C3)n2)CC[NH+](C2CCC2)CC1 ZINC000225473456 206051576 /nfs/dbraw/zinc/05/15/76/206051576.db2.gz IVRYIRKOYUHJEK-UHFFFAOYSA-N 1 0 383.561 3.537 40 0 biogenic,in-vitro GHABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 ZINC000225818672 206079420 /nfs/dbraw/zinc/07/94/20/206079420.db2.gz NJPUZMSZMZFBFU-IBGZPJMESA-N 1 0 394.581 3.507 40 0 GHABRO Cc1nc2cc([C@H]3CCC[N@H+]3C(C)C)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257212063 206158927 /nfs/dbraw/zinc/15/89/27/206158927.db2.gz CBTRIPCYDNJMSU-OAQYLSRUSA-N 1 0 397.567 3.837 40 0 GHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(-c3ccccc3F)n[nH]1)C2 ZINC000257300131 206174351 /nfs/dbraw/zinc/17/43/51/206174351.db2.gz RTAKFIRPCHGYAI-SHXMKPCDSA-N 1 0 382.483 3.693 40 0 GHABRO COc1ccccc1Cc1cc(C(=O)N2CCC[C@@H]3[N@H+](C)CCC[C@@]32C)ccn1 ZINC000257317730 206178386 /nfs/dbraw/zinc/17/83/86/206178386.db2.gz VKXMVYDYZLBEHJ-UPVQGACJSA-N 1 0 393.531 3.770 40 0 GHABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccc(F)cc2)c1 ZINC000257266174 206169256 /nfs/dbraw/zinc/16/92/56/206169256.db2.gz MBWJJEMBHXVSLD-UHFFFAOYSA-N 1 0 377.463 3.922 40 0 GHABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccc(F)c(Cl)c1 ZINC000257270762 206169719 /nfs/dbraw/zinc/16/97/19/206169719.db2.gz MVOFGDULVBHKLZ-UUZHKXTQSA-N 1 0 380.891 3.722 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)cc1 ZINC000306124529 206197609 /nfs/dbraw/zinc/19/76/09/206197609.db2.gz BSTPALZEQXEODV-PKTZIBPZSA-N 1 0 387.483 3.578 40 0 GHABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306135118 206203955 /nfs/dbraw/zinc/20/39/55/206203955.db2.gz OIKUSWBVSHVTNI-OAQYLSRUSA-N 1 0 381.501 3.795 40 0 GHABRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002778845 206212508 /nfs/dbraw/zinc/21/25/08/206212508.db2.gz ITJLMXSFRIROFC-QWRGUYRKSA-N 1 0 394.869 3.840 40 0 GHABRO CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113954718 136192102 /nfs/dbraw/zinc/19/21/02/136192102.db2.gz FZGMZXFXJCOMRP-SFHVURJKSA-N 1 0 381.520 3.968 40 0 GHABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCCOc2ccccc2)Cc2c[nH]c3cccc1c23 ZINC000049171453 560084373 /nfs/dbraw/zinc/08/43/73/560084373.db2.gz NUWWQOWCIAWAJY-VXKWHMMOSA-N 1 0 391.515 3.965 40 0 biogenic,in-vitro GHABRO CC[C@H](C)Nc1nc(N2CCc3cc(C(=O)OC)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328998632 570211245 /nfs/dbraw/zinc/21/12/45/570211245.db2.gz JTRBEMLLTRAYIB-HNNXBMFYSA-N 1 0 382.508 3.582 40 0 GHABRO CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329003841 570211516 /nfs/dbraw/zinc/21/15/16/570211516.db2.gz KOHPPZGUALJKMJ-UHFFFAOYSA-N 1 0 382.508 3.973 40 0 GHABRO COCCn1c(C(=O)N2CCC[N@H+](C)CC2)cc2c1c1ccccc1n2C(C)C ZINC000096146359 570214163 /nfs/dbraw/zinc/21/41/63/570214163.db2.gz ALBABJSPVKCAMN-UHFFFAOYSA-N 1 0 396.535 3.601 40 0 GHABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763153 570217423 /nfs/dbraw/zinc/21/74/23/570217423.db2.gz FQKBLQNFWFQZSZ-HXUWFJFHSA-N 1 0 378.520 3.791 40 0 GHABRO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228367 570221234 /nfs/dbraw/zinc/22/12/34/570221234.db2.gz GFIPCKSLOXAKQB-GBXCKJPGSA-N 1 0 393.531 3.584 40 0 GHABRO COc1cccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC000096244343 570223500 /nfs/dbraw/zinc/22/35/00/570223500.db2.gz UKGZUYMRCFDUEC-DEOSSOPVSA-N 1 0 387.483 3.826 40 0 GHABRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@H]1CNC(=O)c1ccsc1 ZINC000001532369 570264718 /nfs/dbraw/zinc/26/47/18/570264718.db2.gz NPGABYHTDVGGJK-INIZCTEOSA-N 1 0 393.487 3.973 40 0 in-man GHABRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCSc1ccc(F)cc1)CC2 ZINC000001640702 570266455 /nfs/dbraw/zinc/26/64/55/570266455.db2.gz FRWHAGPZSVSWSM-UHFFFAOYSA-N 1 0 399.535 3.736 40 0 GHABRO COc1ccccc1CCC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750346 570276662 /nfs/dbraw/zinc/27/66/62/570276662.db2.gz HVUQLTFTCOLGJQ-HFJQGTKSSA-N 1 0 381.520 3.645 40 0 GHABRO C[NH+]1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000007105762 570419424 /nfs/dbraw/zinc/41/94/24/570419424.db2.gz GOLJNVBBOMLCTL-UHFFFAOYSA-N 1 0 387.911 3.888 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000223282970 570455843 /nfs/dbraw/zinc/45/58/43/570455843.db2.gz PBVQOIQIKOCRSG-LEWJYISDSA-N 1 0 392.528 3.876 40 0 GHABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035088611 570549904 /nfs/dbraw/zinc/54/99/04/570549904.db2.gz QMIIWQGANXDDCF-OUFMZXHOSA-N 1 0 392.559 3.786 40 0 GHABRO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000004895538 570637045 /nfs/dbraw/zinc/63/70/45/570637045.db2.gz MCROSNRAQHCSLT-UHFFFAOYSA-N 1 0 395.482 3.717 40 0 GHABRO O=S(=O)(c1ccccc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000004238090 570726788 /nfs/dbraw/zinc/72/67/88/570726788.db2.gz SUOLKZRCFICSKL-UHFFFAOYSA-N 1 0 384.545 3.754 40 0 GHABRO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253480221 570741774 /nfs/dbraw/zinc/74/17/74/570741774.db2.gz VNMRXZNXEDNUMN-XKPYVIEYSA-N 1 0 390.543 3.540 40 0 GHABRO c1coc(CN2CN=C3N[C@@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)c1 ZINC000013634020 570862114 /nfs/dbraw/zinc/86/21/14/570862114.db2.gz AVFKSGOCVPGUKG-OXQOHEQNSA-N 1 0 388.475 3.681 40 0 GHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000226258560 570935137 /nfs/dbraw/zinc/93/51/37/570935137.db2.gz PBUZLVVPHIBXNZ-UHFFFAOYSA-N 1 0 380.536 3.961 40 0 GHABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]21)C(F)F ZINC000585109630 570937972 /nfs/dbraw/zinc/93/79/72/570937972.db2.gz GRGVZUSNDCJXAK-XYJFISCASA-N 1 0 378.369 3.616 40 0 GHABRO Cc1ccc2oc(C(=O)N3CCc4nc(C5CC[NH+](C)CC5)ncc4C3)cc2c1 ZINC000019221350 570963272 /nfs/dbraw/zinc/96/32/72/570963272.db2.gz DXWIUEBEKOFHJE-UHFFFAOYSA-N 1 0 390.487 3.539 40 0 GHABRO Cc1ccnn1[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019238298 570967999 /nfs/dbraw/zinc/96/79/99/570967999.db2.gz HUMIKHADCGUQET-ZDFPQIBNSA-N 1 0 380.536 3.622 40 0 GHABRO Fc1cccc(C[N@H+](CCCn2ccnc2)Cc2ccnc(N3CCCC3)n2)c1 ZINC000019293767 570973075 /nfs/dbraw/zinc/97/30/75/570973075.db2.gz BNCQGPQXJPJUHH-UHFFFAOYSA-N 1 0 394.498 3.505 40 0 GHABRO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019334050 570975470 /nfs/dbraw/zinc/97/54/70/570975470.db2.gz GZSYVDCWMNDNQN-SFHVURJKSA-N 1 0 394.450 3.518 40 0 GHABRO O=c1cc(C[C@H]([NH2+]Cc2ccncc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 ZINC000019332481 570975626 /nfs/dbraw/zinc/97/56/26/570975626.db2.gz RIEQZGPFWQZDAJ-FQEVSTJZSA-N 1 0 378.451 3.645 40 0 GHABRO COCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc(C(C)C)cc3)C2)no1 ZINC000019453218 570986080 /nfs/dbraw/zinc/98/60/80/570986080.db2.gz RGWCWGXMBNHKIY-LJQANCHMSA-N 1 0 385.508 3.554 40 0 GHABRO CCC[NH+]1CCC(C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)CC1 ZINC000019502603 570993589 /nfs/dbraw/zinc/99/35/89/570993589.db2.gz OFFSWJAXDFTAMQ-GOSISDBHSA-N 1 0 376.472 3.764 40 0 GHABRO COc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1C[NH+]1CCCC1 ZINC000019714663 571036437 /nfs/dbraw/zinc/03/64/37/571036437.db2.gz OJMBQXAEYSVNPG-UHFFFAOYSA-N 1 0 376.460 3.729 40 0 GHABRO Cc1cn2c(ncc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)c2=O)s1 ZINC000019717070 571039111 /nfs/dbraw/zinc/03/91/11/571039111.db2.gz HGKFHXYNRKDHGV-AWEZNQCLSA-N 1 0 396.516 3.691 40 0 GHABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000096061342 571098576 /nfs/dbraw/zinc/09/85/76/571098576.db2.gz PBPOOVSFEOVRHD-FQEVSTJZSA-N 1 0 384.545 3.745 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(C)=O)c3nccs3)C2)c(C)c1C ZINC000012365812 856418875 /nfs/dbraw/zinc/41/88/75/856418875.db2.gz WSDOETBFBXMGLM-UYAOXDASSA-N 1 0 387.549 3.858 40 0 GHABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218571624 895856799 /nfs/dbraw/zinc/85/67/99/895856799.db2.gz WSBPFZSUIWBSBP-AABGKKOBSA-N 1 0 393.936 3.570 40 0 GHABRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC000006246614 204172334 /nfs/dbraw/zinc/17/23/34/204172334.db2.gz DAAWPJZBSIXCSU-UHFFFAOYSA-N 1 0 399.363 3.776 40 0 GHABRO COc1ccc(-c2noc([C@@H]3C[C@H]([NH2+]Cc4ccc(C)cc4)CN3C)n2)cc1 ZINC000035424531 204192224 /nfs/dbraw/zinc/19/22/24/204192224.db2.gz SJUHHDWWTFYYNY-ICSRJNTNSA-N 1 0 378.476 3.589 40 0 biogenic,in-vitro GHABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000012239800 204386301 /nfs/dbraw/zinc/38/63/01/204386301.db2.gz KNVUQMXWGKWSAJ-QGZVFWFLSA-N 1 0 375.513 3.872 40 0 GHABRO COc1ccc(C[NH+]2CCC(O)(c3cccc(C)c3)CC2)cc1Cn1cccn1 ZINC000012328286 204398941 /nfs/dbraw/zinc/39/89/41/204398941.db2.gz XUZOSNIJHBKXOO-UHFFFAOYSA-N 1 0 391.515 3.732 40 0 GHABRO O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872257 205088638 /nfs/dbraw/zinc/08/86/38/205088638.db2.gz WDRGFIQAGVVGMC-UHFFFAOYSA-N 1 0 378.925 3.555 40 0 GHABRO COc1ccc2c(C[N@@H+]3CCC[C@H]([C@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 ZINC000072337757 205327883 /nfs/dbraw/zinc/32/78/83/205327883.db2.gz HCLQHOFIPIWWFT-YWZLYKJASA-N 1 0 398.532 3.722 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072348751 205330791 /nfs/dbraw/zinc/33/07/91/205330791.db2.gz VPARGJXYYQLIMX-IBGZPJMESA-N 1 0 381.520 3.805 40 0 GHABRO COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072349726 205330848 /nfs/dbraw/zinc/33/08/48/205330848.db2.gz VFZRLIXKMOTRQX-SFHVURJKSA-N 1 0 379.504 3.559 40 0 GHABRO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCC1 ZINC000072358556 205334586 /nfs/dbraw/zinc/33/45/86/205334586.db2.gz KBZCOASWSXORCP-KRWDZBQOSA-N 1 0 384.911 3.599 40 0 GHABRO CC(=O)N1CCC([NH+]2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)CC1 ZINC000072363007 205335655 /nfs/dbraw/zinc/33/56/55/205335655.db2.gz YBLMPMMNTDJROV-UHFFFAOYSA-N 1 0 398.482 3.598 40 0 GHABRO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000224529380 206021765 /nfs/dbraw/zinc/02/17/65/206021765.db2.gz TXAMNDDHTGKODK-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO COc1ccc(OC)c(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000225230037 206042481 /nfs/dbraw/zinc/04/24/81/206042481.db2.gz QTLHTASBHWBFTM-UHFFFAOYSA-N 1 0 391.562 3.716 40 0 GHABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2nc3ccccc3[nH]2)c1 ZINC000257203183 206157695 /nfs/dbraw/zinc/15/76/95/206157695.db2.gz AOZHFNQDSUVFRJ-UHFFFAOYSA-N 1 0 385.471 3.617 40 0 GHABRO CCc1ccc([C@@H]2C[N@H+](Cc3ccccc3)[C@H]3CCN(C(=O)COC)C[C@@H]23)cc1 ZINC000257328596 206180229 /nfs/dbraw/zinc/18/02/29/206180229.db2.gz XGIXQKYSBWMXGI-HJOGWXRNSA-N 1 0 392.543 3.712 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306143105 206207901 /nfs/dbraw/zinc/20/79/01/206207901.db2.gz XTIQFCLEPXALJV-UXHICEINSA-N 1 0 381.476 3.770 40 0 GHABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2cccc(OC)c2)Cc2ccccc21 ZINC000306125744 206197121 /nfs/dbraw/zinc/19/71/21/206197121.db2.gz DARSXGCQVMKTLR-JOCHJYFZSA-N 1 0 377.488 3.686 40 0 GHABRO Cc1ccsc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306125904 206197312 /nfs/dbraw/zinc/19/73/12/206197312.db2.gz DFIISWSQUMNZNS-PMACEKPBSA-N 1 0 377.513 3.940 40 0 GHABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)s1 ZINC000306135469 206202305 /nfs/dbraw/zinc/20/23/05/206202305.db2.gz ORXZMWIGRJASHV-MOPGFXCFSA-N 1 0 398.557 3.704 40 0 GHABRO COc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc(F)cc4)C2)OC3)cc1 ZINC000306137431 206203083 /nfs/dbraw/zinc/20/30/83/206203083.db2.gz QWBFRFKDZQHSFZ-HSZRJFAPSA-N 1 0 393.462 3.873 40 0 GHABRO O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1C[NH2+]Cc1ccccc1 ZINC000077262559 560046560 /nfs/dbraw/zinc/04/65/60/560046560.db2.gz FPAYRAAPTHHSQY-QNWVGRARSA-N 1 0 396.462 3.722 40 0 biogenic,in-vitro GHABRO COc1ccc2c(c1O)[C@]13CC[N@H+](C)[C@H](C2)[C@H]1C(Br)=CC=C3C ZINC000096316404 560053969 /nfs/dbraw/zinc/05/39/69/560053969.db2.gz FCXBYZRFHRNZPT-LSBZLQRGSA-N 1 0 376.294 3.754 40 0 biogenic,in-vitro GHABRO Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccco1 ZINC000039560672 560085878 /nfs/dbraw/zinc/08/58/78/560085878.db2.gz ZYQHDAPHOFBVAS-DSKINZAPSA-N 1 0 394.494 3.787 40 0 biogenic,in-vitro GHABRO Cn1cnc2c1cc(C1CC[NH+](Cc3cccnc3)CC1)nc2-c1cccnc1 ZINC000096099951 570210393 /nfs/dbraw/zinc/21/03/93/570210393.db2.gz KPNGFQSJYNJYAH-UHFFFAOYSA-N 1 0 384.487 3.805 40 0 GHABRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000020110769 570240802 /nfs/dbraw/zinc/24/08/02/570240802.db2.gz AAYUWYLUBNCZOI-UHFFFAOYSA-N 1 0 382.504 3.866 40 0 GHABRO CC(C)(C)[C@H]1CC[C@](O)(C[NH+]2CCC(O)(COc3ccccc3F)CC2)CC1 ZINC000585285929 570255345 /nfs/dbraw/zinc/25/53/45/570255345.db2.gz FLEWBOYXPRDBNN-CXGRPWHSSA-N 1 0 393.543 3.999 40 0 GHABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3ccc(Cl)c(C)c3)cc2c1 ZINC000585292687 570260665 /nfs/dbraw/zinc/26/06/65/570260665.db2.gz NGWLJAFHAWLVAV-QGZVFWFLSA-N 1 0 386.879 3.740 40 0 GHABRO O=S(=O)(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2ccccc2c1 ZINC000026843013 570429169 /nfs/dbraw/zinc/42/91/69/570429169.db2.gz QNGSMYAWTPGDQG-UHFFFAOYSA-N 1 0 380.513 3.914 40 0 GHABRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC000039758072 570449368 /nfs/dbraw/zinc/44/93/68/570449368.db2.gz RSWUWXSJHLIAND-UHFFFAOYSA-N 1 0 395.522 3.695 40 0 GHABRO O=C(CCc1ccc2c(c1)OCO2)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224695603 570525354 /nfs/dbraw/zinc/52/53/54/570525354.db2.gz JTRFDSDRQGJCJA-UHFFFAOYSA-N 1 0 380.488 3.650 40 0 GHABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 ZINC000035338760 570551988 /nfs/dbraw/zinc/55/19/88/570551988.db2.gz SKTOVRLIDRMZIZ-WMQCIHAUSA-N 1 0 378.532 3.540 40 0 GHABRO CC(=O)OCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)o1 ZINC000036740026 570563558 /nfs/dbraw/zinc/56/35/58/570563558.db2.gz WSMQRFJVQZNWBS-USCONSEESA-N 1 0 387.451 3.602 40 0 GHABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000260842850 570710410 /nfs/dbraw/zinc/71/04/10/570710410.db2.gz XYRZQTRYZQZELE-APWZRJJASA-N 1 0 398.478 3.686 40 0 GHABRO CCOC[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218512847 570924517 /nfs/dbraw/zinc/92/45/17/570924517.db2.gz VUMLLWYHCNZSSR-SLFFLAALSA-N 1 0 393.936 3.570 40 0 GHABRO CC(C)C[C@@H](O)C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100372 570924873 /nfs/dbraw/zinc/92/48/73/570924873.db2.gz KMXFBALNFOBJGJ-IFMALSPDSA-N 1 0 394.506 3.719 40 0 GHABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2N)CC1 ZINC000226263527 570935559 /nfs/dbraw/zinc/93/55/59/570935559.db2.gz PDUMAWKZTFEDAR-UHFFFAOYSA-N 1 0 379.291 3.580 40 0 GHABRO COc1ccc(C)cc1CN1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019133486 570958539 /nfs/dbraw/zinc/95/85/39/570958539.db2.gz QXNFWICIWBSPDX-LJQANCHMSA-N 1 0 376.460 3.898 40 0 GHABRO Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019136087 570958993 /nfs/dbraw/zinc/95/89/93/570958993.db2.gz HQSNGCVGYDNRSF-LAUBAEHRSA-N 1 0 378.520 3.630 40 0 GHABRO Cc1ccc2scc(CC(=O)N3CCc4nc([C@@H]5CCC[NH2+]5)ncc4C3)c2c1 ZINC000019220656 570962802 /nfs/dbraw/zinc/96/28/02/570962802.db2.gz IJBUUTZHSTZRDT-IBGZPJMESA-N 1 0 392.528 3.552 40 0 GHABRO Cc1cc(C(=O)N(C[C@@H]2CCCO2)C2CC[NH+](C)CC2)c2cccc(C)c2n1 ZINC000019236709 570966824 /nfs/dbraw/zinc/96/68/24/570966824.db2.gz QHANOPUWDFPWRQ-IBGZPJMESA-N 1 0 381.520 3.567 40 0 GHABRO Cc1ccsc1C[NH+]1CCN(c2ccccc2[C@H](O)c2nccs2)CC1 ZINC000019238651 570967625 /nfs/dbraw/zinc/96/76/25/570967625.db2.gz KYKGJIFPOGZSGY-IBGZPJMESA-N 1 0 385.558 3.917 40 0 GHABRO COc1ccc(C[C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccnc(C)n2)cc1 ZINC000019287535 570970010 /nfs/dbraw/zinc/97/00/10/570970010.db2.gz RCPXHLIOHZPTAJ-XPWALMASSA-N 1 0 381.520 3.532 40 0 GHABRO Fc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019293821 570973301 /nfs/dbraw/zinc/97/33/01/570973301.db2.gz RSBDMLXXPRHKHD-VNQPRFMTSA-N 1 0 383.393 3.617 40 0 GHABRO O=C(c1cc(C2CC2)on1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294302 570973575 /nfs/dbraw/zinc/97/35/75/570973575.db2.gz LCLPSQQSXCMQFY-DSKINZAPSA-N 1 0 383.467 3.832 40 0 GHABRO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C[C@@H](C)c3ccccc3)ncc2C1 ZINC000019456141 570987316 /nfs/dbraw/zinc/98/73/16/570987316.db2.gz HJSUJDQVXKNDCS-VGOFRKELSA-N 1 0 378.520 3.712 40 0 GHABRO CCCN1CC[N@H+](CC2CC2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502829 570993482 /nfs/dbraw/zinc/99/34/82/570993482.db2.gz NVFKXXMNUVUWOC-QHCPKHFHSA-N 1 0 377.532 3.872 40 0 GHABRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019533269 570999839 /nfs/dbraw/zinc/99/98/39/570999839.db2.gz AQZNOPHEFIWMCT-OAQYLSRUSA-N 1 0 390.487 3.958 40 0 GHABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019555284 571003019 /nfs/dbraw/zinc/00/30/19/571003019.db2.gz COXQSZRFGKYBDL-HXUWFJFHSA-N 1 0 376.460 3.568 40 0 GHABRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019565224 571007666 /nfs/dbraw/zinc/00/76/66/571007666.db2.gz KDBHYXYYMMXAKC-FQEVSTJZSA-N 1 0 376.460 3.980 40 0 GHABRO COc1ccccc1NC(=O)c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019571323 571010138 /nfs/dbraw/zinc/01/01/38/571010138.db2.gz JUOOGYMPAMNLHC-KRWDZBQOSA-N 1 0 392.459 3.710 40 0 GHABRO COc1ccccc1NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000019571332 571010160 /nfs/dbraw/zinc/01/01/60/571010160.db2.gz NLMSVQPKDSOIAW-QGZVFWFLSA-N 1 0 392.459 3.710 40 0 GHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019689537 571028620 /nfs/dbraw/zinc/02/86/20/571028620.db2.gz HZSJIJIQZZKRTA-HXUWFJFHSA-N 1 0 376.508 3.589 40 0 GHABRO C[C@H]1CCCN(c2ncc(CN(Cc3ccccc3)C3CC[NH+](C)CC3)cn2)C1 ZINC000019715681 571037199 /nfs/dbraw/zinc/03/71/99/571037199.db2.gz QDZYTGBTPMEHHW-FQEVSTJZSA-N 1 0 393.579 3.809 40 0 GHABRO COc1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)[nH+]c(C(C)C)n1)C2 ZINC000328969492 571047953 /nfs/dbraw/zinc/04/79/53/571047953.db2.gz DERPEVHICBGUQD-LJQANCHMSA-N 1 0 384.524 3.600 40 0 GHABRO C[NH+](C)CCCNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 ZINC000096037802 571096798 /nfs/dbraw/zinc/09/67/98/571096798.db2.gz IRNVEYPGQJOAKS-UHFFFAOYSA-N 1 0 390.443 3.831 40 0 GHABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@@H](CC(=O)N(C)C)c3ccccc32)CC1 ZINC000096052708 571097589 /nfs/dbraw/zinc/09/75/89/571097589.db2.gz HRQFHJBEWNJYPR-GOSISDBHSA-N 1 0 381.520 3.791 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053413 571097952 /nfs/dbraw/zinc/09/79/52/571097952.db2.gz MYNPGJIGAMUWPK-QGZVFWFLSA-N 1 0 380.488 3.849 40 0 GHABRO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063567 856409786 /nfs/dbraw/zinc/40/97/86/856409786.db2.gz ZKDZZVUTFVQKNB-UHFFFAOYSA-N 1 0 384.451 3.853 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(OC)c3)[C@@H]3NC(=O)CCCC[C@H]32)cc1 ZINC000019712852 856426968 /nfs/dbraw/zinc/42/69/68/856426968.db2.gz RLCQNIWTCFZQIL-ZDXQCDESSA-N 1 0 394.515 3.731 40 0 GHABRO CC[NH+](CC)CC(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccccc1C ZINC000019713698 856427925 /nfs/dbraw/zinc/42/79/25/856427925.db2.gz GUCKRKMPGHDBNU-ZJSXRUAMSA-N 1 0 399.579 3.599 40 0 GHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3ccc(C)cc3OC)n(C)n2)CC1 ZINC000257337267 858630365 /nfs/dbraw/zinc/63/03/65/858630365.db2.gz YSBQZHVVVSRYRX-WGSAOQKQSA-N 1 0 384.568 3.862 40 0 GHABRO Fc1ccc(-c2cccc(CN3CCC[C@H]3c3nnc4n3CCNC4)c2)cc1 ZINC000019705543 860326773 /nfs/dbraw/zinc/32/67/73/860326773.db2.gz OGNHITXKIAODMM-FQEVSTJZSA-N 1 0 377.467 3.525 40 0 GHABRO CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](CC[C@@H](C)c1ccccc1)C2 ZINC000247954372 880093028 /nfs/dbraw/zinc/09/30/28/880093028.db2.gz RZJOEOAPSTZYRM-VGOFRKELSA-N 1 0 378.520 3.712 40 0 GHABRO CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000004722706 204068225 /nfs/dbraw/zinc/06/82/25/204068225.db2.gz QHRYYIWWVCYYGL-WTGUMLROSA-N 1 0 378.497 3.733 40 0 GHABRO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000005215410 204118903 /nfs/dbraw/zinc/11/89/03/204118903.db2.gz RRCKMQLZGKWNPR-HNNXBMFYSA-N 1 0 387.501 3.668 40 0 GHABRO O=C(COc1ccc2ccccc2c1)N1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000006062811 204163052 /nfs/dbraw/zinc/16/30/52/204163052.db2.gz NAZVMRKYJCRHEF-BWAGFHJFSA-N 1 0 376.500 3.575 40 0 GHABRO O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000012200998 204382994 /nfs/dbraw/zinc/38/29/94/204382994.db2.gz SQTRFFVAJWOCSY-OAQYLSRUSA-N 1 0 395.478 3.519 40 0 GHABRO COc1ccc(-c2nc(NCCC[NH+]3CCCCC3)ncc2-c2ncc[nH]2)cc1 ZINC000012221395 204385166 /nfs/dbraw/zinc/38/51/66/204385166.db2.gz KVLHPWDBKZYABE-UHFFFAOYSA-N 1 0 392.507 3.830 40 0 GHABRO COCCn1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012240473 204386452 /nfs/dbraw/zinc/38/64/52/204386452.db2.gz HFOBSMZETDNRFD-UHFFFAOYSA-N 1 0 382.479 3.910 40 0 GHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(C)c(C)c3)CC1)C[C@@H]2O ZINC000012293502 204388659 /nfs/dbraw/zinc/38/86/59/204388659.db2.gz ODYPCQLMKNRRSJ-VXKWHMMOSA-N 1 0 397.515 3.696 40 0 GHABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293505 204389580 /nfs/dbraw/zinc/38/95/80/204389580.db2.gz BDMRJLAITIJBIC-FGZHOGPDSA-N 1 0 397.515 3.696 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330200 204399052 /nfs/dbraw/zinc/39/90/52/204399052.db2.gz AKXALPNEXAIYSV-FGZHOGPDSA-N 1 0 397.490 3.699 40 0 GHABRO COc1cccc(C[NH2+][C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 ZINC000019285347 204635457 /nfs/dbraw/zinc/63/54/57/204635457.db2.gz NNXPPIQWAISCQR-FQEVSTJZSA-N 1 0 383.879 3.814 40 0 GHABRO COc1cc(C)c(C[NH+]2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc1C ZINC000019567261 204657504 /nfs/dbraw/zinc/65/75/04/204657504.db2.gz ALEWXPPXXSTKKP-HSZRJFAPSA-N 1 0 381.520 3.796 40 0 GHABRO CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)C[NH+]1CCN(C)CC1 ZINC000022576650 204784953 /nfs/dbraw/zinc/78/49/53/204784953.db2.gz DQVIJOCOLCADKE-HYBUGGRVSA-N 1 0 380.532 3.571 40 0 GHABRO CCOc1ccc(CCC(=O)NCCC[NH+]2CCCCCC2)cc1OCC ZINC000044903105 205089099 /nfs/dbraw/zinc/08/90/99/205089099.db2.gz IBGRPOADIQULKE-UHFFFAOYSA-N 1 0 376.541 3.799 40 0 GHABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]CCc2ccc(Br)cc2)C1 ZINC000089223576 205185257 /nfs/dbraw/zinc/18/52/57/205185257.db2.gz KVQRGIKKXQIIGT-HNNXBMFYSA-N 1 0 383.330 3.838 40 0 GHABRO COc1ccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)N4CCCCC4)C3)n2)cc1 ZINC000072348702 205330077 /nfs/dbraw/zinc/33/00/77/205330077.db2.gz NFWQMRVFRUQKND-FQEVSTJZSA-N 1 0 393.531 3.949 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000072350375 205330377 /nfs/dbraw/zinc/33/03/77/205330377.db2.gz UPVNLASLZHYCFK-LJQANCHMSA-N 1 0 381.495 3.936 40 0 GHABRO COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)n2)c1 ZINC000072349727 205330620 /nfs/dbraw/zinc/33/06/20/205330620.db2.gz ACIQWJXBBVHIQU-LJQANCHMSA-N 1 0 379.504 3.559 40 0 GHABRO OCc1ccc(-c2cncc([C@H]3CCC[N@H+](CCOc4ccccc4)C3)n2)cc1 ZINC000072359619 205334822 /nfs/dbraw/zinc/33/48/22/205334822.db2.gz OYMPJZVIHICOCG-NRFANRHFSA-N 1 0 389.499 3.894 40 0 GHABRO O=C(NC1CCCC1)c1cc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000072380620 205339366 /nfs/dbraw/zinc/33/93/66/205339366.db2.gz QNUUWZWNDMXKBJ-IBGZPJMESA-N 1 0 380.536 3.894 40 0 GHABRO O=C(NC1CCCC1)c1cc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000072380621 205339835 /nfs/dbraw/zinc/33/98/35/205339835.db2.gz QNUUWZWNDMXKBJ-LJQANCHMSA-N 1 0 380.536 3.894 40 0 GHABRO Cc1nccn1-c1cccc([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379226 205340126 /nfs/dbraw/zinc/34/01/26/205340126.db2.gz NAJLGQHFJXGLJQ-SFHVURJKSA-N 1 0 380.467 3.973 40 0 GHABRO O=c1cc(C2CC[NH+](Cc3c(F)cccc3F)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392772 205342332 /nfs/dbraw/zinc/34/23/32/205342332.db2.gz WZTFICRGELJURN-UHFFFAOYSA-N 1 0 382.414 3.902 40 0 GHABRO COc1ccc2c(c1)c([C@@H]1CN(Cc3cccc(OC)c3)C[C@H]1[NH+](C)C)cn2C ZINC000072395533 205344208 /nfs/dbraw/zinc/34/42/08/205344208.db2.gz FFTSGMGDTKLFPY-LADGPHEKSA-N 1 0 393.531 3.725 40 0 GHABRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)ccc1O ZINC000072396688 205344370 /nfs/dbraw/zinc/34/43/70/205344370.db2.gz NIJSYJOFGQYANM-CQSZACIVSA-N 1 0 386.477 3.595 40 0 GHABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000225006592 206032444 /nfs/dbraw/zinc/03/24/44/206032444.db2.gz KWMKELVRJBNAFX-UHFFFAOYSA-N 1 0 393.531 3.682 40 0 GHABRO CCn1c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2sc1=O ZINC000225110558 206037173 /nfs/dbraw/zinc/03/71/73/206037173.db2.gz WTDJEHFEICQDIN-UHFFFAOYSA-N 1 0 395.528 3.934 40 0 GHABRO O=C1N(Cc2cccc(Cl)c2)[C@@H](c2ccccc2)[C@H](O)CC12CC[NH2+]CC2 ZINC000257302534 206174720 /nfs/dbraw/zinc/17/47/20/206174720.db2.gz SDFUYTCNDXBFBM-UXHICEINSA-N 1 0 384.907 3.544 40 0 GHABRO Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257292660 206175398 /nfs/dbraw/zinc/17/53/98/206175398.db2.gz QMMHLVFQVUMJCG-UWJYYQICSA-N 1 0 384.549 3.993 40 0 GHABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)[nH+]1 ZINC000257226203 206162756 /nfs/dbraw/zinc/16/27/56/206162756.db2.gz FJQFACDMEYHYAX-IBGZPJMESA-N 1 0 384.455 3.553 40 0 GHABRO COc1cccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)c1 ZINC000257237774 206163939 /nfs/dbraw/zinc/16/39/39/206163939.db2.gz HIDDQLRJONUZER-UHFFFAOYSA-N 1 0 396.535 3.814 40 0 GHABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnccn1 ZINC000257341944 206182157 /nfs/dbraw/zinc/18/21/57/206182157.db2.gz ZMNAQLPEQKITAI-CFKFVRPNSA-N 1 0 390.531 3.565 40 0 GHABRO CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@H](O)COc1cccc2cc[nH]c21 ZINC000299888251 206193937 /nfs/dbraw/zinc/19/39/37/206193937.db2.gz BMFRSTMTAZXLSY-SFHVURJKSA-N 1 0 377.488 4.000 40 0 GHABRO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257322588 206179431 /nfs/dbraw/zinc/17/94/31/206179431.db2.gz WGPIEHICQIFNIF-XMMPIXPASA-N 1 0 393.531 3.683 40 0 GHABRO CC[N@H+](C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)COC(C)C)CC2)C1 ZINC000257329037 206180019 /nfs/dbraw/zinc/18/00/19/206180019.db2.gz XICVHUTUDNIGRQ-SFTDATJTSA-N 1 0 388.552 3.645 40 0 GHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306144469 206206204 /nfs/dbraw/zinc/20/62/04/206206204.db2.gz ZGCTZEIPAMHXRI-PMACEKPBSA-N 1 0 381.476 3.770 40 0 GHABRO Cc1cc(C)cc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)c1 ZINC000306144610 206206987 /nfs/dbraw/zinc/20/69/87/206206987.db2.gz ZKEQQOCAMWTXHK-UHFFFAOYSA-N 1 0 398.514 3.730 40 0 GHABRO c1cc(-c2ccc3nc([C@@H]4CC[N@@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306144088 206207039 /nfs/dbraw/zinc/20/70/39/206207039.db2.gz YVTZYCBDAHXZQV-LJQANCHMSA-N 1 0 399.454 3.510 40 0 GHABRO COc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306123825 206196496 /nfs/dbraw/zinc/19/64/96/206196496.db2.gz AXZIXLFHTJMPPC-HSZRJFAPSA-N 1 0 393.462 3.873 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306126157 206196850 /nfs/dbraw/zinc/19/68/50/206196850.db2.gz DONRQFITDPYLNX-DEOSSOPVSA-N 1 0 386.499 3.649 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 ZINC000306130247 206198315 /nfs/dbraw/zinc/19/83/15/206198315.db2.gz IZYVSAWKRKLLCE-NRFANRHFSA-N 1 0 381.501 3.795 40 0 GHABRO CC1(C)CC(NC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)CC(C)(C)[NH2+]1 ZINC000002793143 206212514 /nfs/dbraw/zinc/21/25/14/206212514.db2.gz UETCZMYOEIIYPW-UHFFFAOYSA-N 1 0 395.482 3.574 40 0 GHABRO C[C@H](O)C[N@H+](Cc1cccn1-c1ccccc1F)Cc1ccc2c(c1)OCO2 ZINC000012118142 221153414 /nfs/dbraw/zinc/15/34/14/221153414.db2.gz CAGMVSXZJXNPTQ-INIZCTEOSA-N 1 0 382.435 3.728 40 0 GHABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113945801 136192147 /nfs/dbraw/zinc/19/21/47/136192147.db2.gz GVYXSQPOGLRFNN-SFHVURJKSA-N 1 0 389.499 3.998 40 0 GHABRO O=C(NCCSCc1ccco1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039761726 534401093 /nfs/dbraw/zinc/40/10/93/534401093.db2.gz MXMQMHSXNJEJGR-UHFFFAOYSA-N 1 0 376.497 3.680 40 0 GHABRO O=C([C@@H]1CCC[N@H+](Cc2ccncc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000005813982 526469396 /nfs/dbraw/zinc/46/93/96/526469396.db2.gz ZAJBBSLDNHIDGQ-HSZRJFAPSA-N 1 0 377.532 3.775 40 0 GHABRO C[NH+]1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)CC1 ZINC000004980531 536418371 /nfs/dbraw/zinc/41/83/71/536418371.db2.gz DOUNTZRJQAOSLE-UHFFFAOYSA-N 1 0 387.462 3.954 40 0 GHABRO CCNc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328987664 570210907 /nfs/dbraw/zinc/21/09/07/570210907.db2.gz IDFOATCDJSOZIT-UHFFFAOYSA-N 1 0 380.414 3.915 40 0 GHABRO CN(c1ccc2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cn21)c1ccc(F)cc1 ZINC000096146193 570213851 /nfs/dbraw/zinc/21/38/51/570213851.db2.gz AMYFRHDMCWTMSX-FQEVSTJZSA-N 1 0 380.467 3.622 40 0 GHABRO Cc1cc(F)ccc1Nc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000329042589 570214508 /nfs/dbraw/zinc/21/45/08/570214508.db2.gz SOOMAJHBQQFLDT-UHFFFAOYSA-N 1 0 380.471 3.515 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)n1 ZINC000329063985 570215951 /nfs/dbraw/zinc/21/59/51/570215951.db2.gz XHAPTUNTEDTVLF-UHFFFAOYSA-N 1 0 399.901 3.887 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)n1 ZINC000329065507 570216050 /nfs/dbraw/zinc/21/60/50/570216050.db2.gz XSJHTRFTYJZUFE-UHFFFAOYSA-N 1 0 380.323 3.612 40 0 GHABRO O=C(Cc1ccc(F)cc1)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216402 570219423 /nfs/dbraw/zinc/21/94/23/570219423.db2.gz DHXZHRLSRDTDQR-XMMPIXPASA-N 1 0 396.506 3.762 40 0 GHABRO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(NCC3CC3)nc12 ZINC000096244515 570223717 /nfs/dbraw/zinc/22/37/17/570223717.db2.gz JKQIGUSFTJLNBT-QHCPKHFHSA-N 1 0 378.520 3.589 40 0 GHABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4c(=O)s3)cc2)CC1 ZINC000585263559 570232077 /nfs/dbraw/zinc/23/20/77/570232077.db2.gz NFHRHZGHRYAGSV-UHFFFAOYSA-N 1 0 393.512 3.656 40 0 GHABRO COc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000020456212 570259176 /nfs/dbraw/zinc/25/91/76/570259176.db2.gz AFWAYDLARAHQEL-ZACQAIPSSA-N 1 0 394.581 3.669 40 0 GHABRO CCOC(=O)[C@@](O)(CC)c1cc[n+](Cc2cc3ccccc3nc2Cl)cc1C ZINC000001619208 570266063 /nfs/dbraw/zinc/26/60/63/570266063.db2.gz HTMARNDGEJABCY-JOCHJYFZSA-N 1 0 399.898 3.693 40 0 GHABRO CC[C@H]1[C@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CC[NH+]1CC2 ZINC000001641783 570266490 /nfs/dbraw/zinc/26/64/90/570266490.db2.gz LGCQVJSQUJNJEC-JTHBVZDNSA-N 1 0 379.500 3.729 40 0 GHABRO COc1cc2c(-c3cc(OC)c(OC)c(OC)c3)cc(C)[n+](C)c2cc1OC ZINC000001634081 570266512 /nfs/dbraw/zinc/26/65/12/570266512.db2.gz ZXPKSPHGKWEKKN-UHFFFAOYSA-N 1 0 384.452 3.683 40 0 GHABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)cc1 ZINC000039761713 570445500 /nfs/dbraw/zinc/44/55/00/570445500.db2.gz YQXYYOOCGCTCEA-UHFFFAOYSA-N 1 0 393.531 3.984 40 0 GHABRO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039767859 570446343 /nfs/dbraw/zinc/44/63/43/570446343.db2.gz CPOONERFZVHUMN-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000039758101 570449304 /nfs/dbraw/zinc/44/93/04/570449304.db2.gz AVXMFYRZPAIAGI-UHFFFAOYSA-N 1 0 395.522 3.695 40 0 GHABRO Cc1c(C)n(C[C@@H](O)C[N@@H+](C)Cc2ccc(OCCCO)cc2)c2ccccc12 ZINC000257326098 570487049 /nfs/dbraw/zinc/48/70/49/570487049.db2.gz WVUTXZQDDGBSNA-NRFANRHFSA-N 1 0 396.531 3.512 40 0 GHABRO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000030946431 570501682 /nfs/dbraw/zinc/50/16/82/570501682.db2.gz BWBOTMDLDPCKIO-QGZVFWFLSA-N 1 0 386.879 3.977 40 0 GHABRO C[NH+]1CCC(Oc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1 ZINC000225327878 570564826 /nfs/dbraw/zinc/56/48/26/570564826.db2.gz VLZXRCGAHPHSLT-UHFFFAOYSA-N 1 0 394.515 3.847 40 0 GHABRO Cn1c(SCC[NH+]2CCCCC2)nnc1-c1ccccc1Br ZINC000004130170 570617040 /nfs/dbraw/zinc/61/70/40/570617040.db2.gz QVNPHWFVUULIIZ-UHFFFAOYSA-N 1 0 381.343 3.823 40 0 GHABRO O=c1cc(-c2ccc3ccccc3c2)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000013639809 570863110 /nfs/dbraw/zinc/86/31/10/570863110.db2.gz VGAYDHHHEOUTAB-UHFFFAOYSA-N 1 0 396.494 3.912 40 0 GHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1C[C@H]1CCCO1 ZINC000585099815 570925697 /nfs/dbraw/zinc/92/56/97/570925697.db2.gz CLQKNKRDZVNVIB-ISKFKSNPSA-N 1 0 382.548 3.701 40 0 GHABRO COC[C@@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](CC1CCCC1)CC2 ZINC000585103284 570931516 /nfs/dbraw/zinc/93/15/16/570931516.db2.gz OCLZTPPCGRCBPL-IBGZPJMESA-N 1 0 376.566 3.739 40 0 GHABRO Cc1cc2cc(C(=O)N3CCc4nc(C5CC[NH+](C)CC5)ncc4C3)ccc2o1 ZINC000019126416 570957960 /nfs/dbraw/zinc/95/79/60/570957960.db2.gz CCGNCOSGKQUGHL-UHFFFAOYSA-N 1 0 390.487 3.539 40 0 GHABRO Cc1nn([C@H](C)CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c(C)c1Cl ZINC000019136446 570958912 /nfs/dbraw/zinc/95/89/12/570958912.db2.gz GGNHOLIDFMZPMA-KDOFPFPSSA-N 1 0 376.932 3.832 40 0 GHABRO COc1ccc([C@H]2C[N@H+](Cc3cccc(C)c3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019235079 570965576 /nfs/dbraw/zinc/96/55/76/570965576.db2.gz SBTPYEDBKUMJKL-WXFUMESZSA-N 1 0 378.516 3.983 40 0 GHABRO Cc1ccccc1[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@H]1c1csnn1 ZINC000019237418 570966923 /nfs/dbraw/zinc/96/69/23/570966923.db2.gz WDZDTILSWMYKDN-ACZWYYKOSA-N 1 0 398.576 3.534 40 0 GHABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000019288899 570971030 /nfs/dbraw/zinc/97/10/30/570971030.db2.gz BFQTUVRUCYYKSO-GOSISDBHSA-N 1 0 396.510 3.663 40 0 GHABRO Fc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019293822 570973142 /nfs/dbraw/zinc/97/31/42/570973142.db2.gz RSBDMLXXPRHKHD-CWRNSKLLSA-N 1 0 383.393 3.617 40 0 GHABRO CCC(CC)C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019500264 570992217 /nfs/dbraw/zinc/99/22/17/570992217.db2.gz UTOMHOVLOCUBES-UHFFFAOYSA-N 1 0 386.515 3.743 40 0 GHABRO CCn1nc2c(c1C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1)CCCC2 ZINC000019524084 570996510 /nfs/dbraw/zinc/99/65/10/570996510.db2.gz ITZPOIVOAAUIGX-UHFFFAOYSA-N 1 0 394.563 3.561 40 0 GHABRO Cc1nn(C[C@@H](C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(C)c1C ZINC000019556986 571004043 /nfs/dbraw/zinc/00/40/43/571004043.db2.gz XLVZXCAXOWFKMB-QGZVFWFLSA-N 1 0 398.551 3.948 40 0 GHABRO Cc1oc2c(c1C(=O)N1CCCC[C@H]1c1ncc3c(n1)CC[N@@H+](C)C3)CCCC2 ZINC000019581246 571013066 /nfs/dbraw/zinc/01/30/66/571013066.db2.gz MJEGLPCPLOKUGY-IBGZPJMESA-N 1 0 394.519 3.612 40 0 GHABRO Cc1nonc1-c1csc(NC(=O)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000019654723 571022794 /nfs/dbraw/zinc/02/27/94/571022794.db2.gz DQJZQHHJALJHLA-UHFFFAOYSA-N 1 0 383.477 3.740 40 0 GHABRO Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000019687085 571028149 /nfs/dbraw/zinc/02/81/49/571028149.db2.gz LSKHFZFTDYSYOH-UHFFFAOYSA-N 1 0 385.939 3.902 40 0 GHABRO O=C(Nc1ccc([C@@H](O)C[NH+]2CCCCC2)cc1)c1cn2cc(Cl)ccc2n1 ZINC000019716736 571038707 /nfs/dbraw/zinc/03/87/07/571038707.db2.gz KDELAMYNYQCEQB-IBGZPJMESA-N 1 0 398.894 3.759 40 0 GHABRO Cn1cc(-c2cc(C(=O)NC(C)(C)C[NH+]3CCCCC3)c3ccccc3n2)cn1 ZINC000019717665 571040621 /nfs/dbraw/zinc/04/06/21/571040621.db2.gz WNERXIDJTMSLNB-UHFFFAOYSA-N 1 0 391.519 3.630 40 0 GHABRO C[C@H](C(=O)NCC1([NH+](C)C)CCCC1)n1c2ccccc2nc1C(F)(F)F ZINC000019718387 571041186 /nfs/dbraw/zinc/04/11/86/571041186.db2.gz BOCYMZZVHROIBR-CYBMUJFWSA-N 1 0 382.430 3.607 40 0 GHABRO COc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000096037072 571096390 /nfs/dbraw/zinc/09/63/90/571096390.db2.gz DNZDEZOGXOEISS-UHFFFAOYSA-N 1 0 392.503 3.588 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052798 571097603 /nfs/dbraw/zinc/09/76/03/571097603.db2.gz RYBDPVDWMBGRJT-FQEVSTJZSA-N 1 0 394.515 3.550 40 0 GHABRO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062555 856409178 /nfs/dbraw/zinc/40/91/78/856409178.db2.gz VJKYPWGFGBKFOP-IBGZPJMESA-N 1 0 396.531 3.799 40 0 GHABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1C(=O)c1ccccc1 ZINC000014982084 856419974 /nfs/dbraw/zinc/41/99/74/856419974.db2.gz NRVVTWYCFPNSTQ-KNQAVFIVSA-N 1 0 376.500 3.912 40 0 GHABRO Cn1nc(-c2ccco2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1 ZINC000008635404 291134147 /nfs/dbraw/zinc/13/41/47/291134147.db2.gz OOMQJNUUWNSHSG-OTWHNJEPSA-N 1 0 396.535 3.554 40 0 biogenic,in-vitro GHABRO CC[NH+](CC)C[C@@H](OC)[C@@H](COC)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004792376 204075719 /nfs/dbraw/zinc/07/57/19/204075719.db2.gz LZLUKZHCUAXOJV-FGZHOGPDSA-N 1 0 399.531 3.734 40 0 GHABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293512 204388851 /nfs/dbraw/zinc/38/88/51/204388851.db2.gz BDMRJLAITIJBIC-VXKWHMMOSA-N 1 0 397.515 3.696 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000012344554 204399070 /nfs/dbraw/zinc/39/90/70/204399070.db2.gz ZCGNZFWLWSSODI-UHFFFAOYSA-N 1 0 377.488 3.673 40 0 GHABRO Cc1c(C(=O)NC2CC[NH+](CC3(c4ccccc4)CCCCC3)CC2)cnn1C ZINC000019553448 204654029 /nfs/dbraw/zinc/65/40/29/204654029.db2.gz STPOUNDFUXBBPY-UHFFFAOYSA-N 1 0 394.563 3.825 40 0 GHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1 ZINC000038836091 205040916 /nfs/dbraw/zinc/04/09/16/205040916.db2.gz GSWVZUOEOVWGCB-FQEVSTJZSA-N 1 0 377.532 3.881 40 0 GHABRO COc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740480 205021226 /nfs/dbraw/zinc/02/12/26/205021226.db2.gz MSTYONDVDKHLAE-UHFFFAOYSA-N 1 0 386.515 3.936 40 0 GHABRO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044852587 205088297 /nfs/dbraw/zinc/08/82/97/205088297.db2.gz OLQAERMNAHSNRE-GOSISDBHSA-N 1 0 384.495 3.930 40 0 GHABRO COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875419 205088334 /nfs/dbraw/zinc/08/83/34/205088334.db2.gz IRGWMRNEUDWEST-SFHVURJKSA-N 1 0 382.504 3.765 40 0 GHABRO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](C4CCN(C(C)=O)CC4)C3)n2)c1 ZINC000072350193 205330067 /nfs/dbraw/zinc/33/00/67/205330067.db2.gz CRDMEEBHLQTGJH-FQEVSTJZSA-N 1 0 393.531 3.948 40 0 GHABRO Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCCOc3ccccc3)C2)ccn1 ZINC000072356490 205332538 /nfs/dbraw/zinc/33/25/38/205332538.db2.gz RNIWFBGMBBCTIN-GOSISDBHSA-N 1 0 377.492 3.702 40 0 GHABRO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)n1 ZINC000072362584 205335289 /nfs/dbraw/zinc/33/52/89/205335289.db2.gz ZTXZTPCTGYPCMP-QGZVFWFLSA-N 1 0 393.491 3.699 40 0 GHABRO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)n1 ZINC000072362586 205335473 /nfs/dbraw/zinc/33/54/73/205335473.db2.gz FTXIPNJNHLMJBW-QGZVFWFLSA-N 1 0 393.491 3.699 40 0 GHABRO CCN(CC)C(=O)CN1CCC[C@H]1c1cc(Nc2ncc(C)s2)cc(C)[nH+]1 ZINC000072372479 205338606 /nfs/dbraw/zinc/33/86/06/205338606.db2.gz JXKFMORYZAPRSB-SFHVURJKSA-N 1 0 387.553 3.904 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072378008 205339297 /nfs/dbraw/zinc/33/92/97/205339297.db2.gz FPWUUVYMQHOCDN-HXUWFJFHSA-N 1 0 388.475 3.911 40 0 GHABRO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@@H+]([C@H](C)Cc3ccc(F)cc3)C1)CC2 ZINC000072395782 205343514 /nfs/dbraw/zinc/34/35/14/205343514.db2.gz BNBNWBMDHVTXPC-WAIKUNEKSA-N 1 0 382.479 3.586 40 0 GHABRO O=S(=O)(c1ccccc1)N1CCCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096075187 205522982 /nfs/dbraw/zinc/52/29/82/205522982.db2.gz HYQAQGDBPXJTKS-UHFFFAOYSA-N 1 0 388.508 3.645 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21)NC1CC1 ZINC000096053015 205518626 /nfs/dbraw/zinc/51/86/26/205518626.db2.gz GINLOGZXYVHURZ-LJQANCHMSA-N 1 0 382.548 3.603 40 0 GHABRO COc1cccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224836600 206028768 /nfs/dbraw/zinc/02/87/68/206028768.db2.gz MMYJEDGLNLEYRB-GOSISDBHSA-N 1 0 382.504 3.765 40 0 GHABRO CCOC(=O)c1cc(NC(=S)NCCC[NH+]2CCCCC2)ccc1Cl ZINC000225410870 206045403 /nfs/dbraw/zinc/04/54/03/206045403.db2.gz BPMNHGGNRGBRQW-UHFFFAOYSA-N 1 0 383.945 3.679 40 0 GHABRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cn1 ZINC000225934937 206085790 /nfs/dbraw/zinc/08/57/90/206085790.db2.gz PKUPCDIJQBICCT-UHFFFAOYSA-N 1 0 389.499 3.967 40 0 GHABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccccc2Cl)C3)cc1 ZINC000096112880 206118043 /nfs/dbraw/zinc/11/80/43/206118043.db2.gz BORDFKOMDHQRIF-SFHVURJKSA-N 1 0 383.879 3.901 40 0 biogenic,in-vitro GHABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257307227 206176763 /nfs/dbraw/zinc/17/67/63/206176763.db2.gz SXSPAAPTXFYHKE-GOSISDBHSA-N 1 0 385.483 3.596 40 0 GHABRO Cc1ncsc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)ccn1 ZINC000257247433 206166658 /nfs/dbraw/zinc/16/66/58/206166658.db2.gz IYZWXXDIEINPQA-JWVYWZTKSA-N 1 0 382.533 3.601 40 0 GHABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cccnc2NC)C1 ZINC000257245099 206166805 /nfs/dbraw/zinc/16/68/05/206166805.db2.gz IOBMWTIKOJVVCP-CQSZACIVSA-N 1 0 380.517 3.687 40 0 GHABRO CNc1ncccc1C[N@@H+]1CC[C@H](Cc2cccc(-c3c(C)noc3C)n2)C1 ZINC000257251388 206166977 /nfs/dbraw/zinc/16/69/77/206166977.db2.gz JQNLALNZGLVLFM-QGZVFWFLSA-N 1 0 377.492 3.855 40 0 GHABRO C[NH+](C)CCCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257273033 206169008 /nfs/dbraw/zinc/16/90/08/206169008.db2.gz NEYATEPADKHJSY-UHFFFAOYSA-N 1 0 398.522 3.900 40 0 GHABRO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257275663 206170724 /nfs/dbraw/zinc/17/07/24/206170724.db2.gz NQHXEHBNVJQTIV-AWEZNQCLSA-N 1 0 384.480 3.522 40 0 GHABRO Cc1noc(C)c1-c1nc([C@@H]2CCC[N@H+](Cc3nccs3)C2)ccc1CO ZINC000257312116 206178638 /nfs/dbraw/zinc/17/86/38/206178638.db2.gz UMOUWJBJIPVCAB-OAHLLOKOSA-N 1 0 384.505 3.682 40 0 GHABRO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@H+](Cc3cnn(C(C)C)c3)C1)C2 ZINC000306138356 206205517 /nfs/dbraw/zinc/20/55/17/206205517.db2.gz RVUPTIZMUJYJRE-QHCPKHFHSA-N 1 0 391.519 3.785 40 0 GHABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc(F)cc4)C2)OC3)c1 ZINC000306125878 206196212 /nfs/dbraw/zinc/19/62/12/206196212.db2.gz DENGQRAYJLWPOL-QHCPKHFHSA-N 1 0 393.462 3.873 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(CC(C)C)nc23)s1 ZINC000306125126 206196470 /nfs/dbraw/zinc/19/64/70/206196470.db2.gz CHUGOUCNHNZWFA-UHFFFAOYSA-N 1 0 386.565 3.528 40 0 GHABRO CN1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000306129214 206200135 /nfs/dbraw/zinc/20/01/35/206200135.db2.gz HXTHYFANOZAYEM-UHFFFAOYSA-N 1 0 385.562 3.505 40 0 GHABRO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 ZINC000306133692 206200605 /nfs/dbraw/zinc/20/06/05/206200605.db2.gz MSWGGYWXTQSPKU-RTWAWAEBSA-N 1 0 377.513 3.940 40 0 GHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1C ZINC000039758105 534270067 /nfs/dbraw/zinc/27/00/67/534270067.db2.gz CGQTVTHHZYXAMJ-UHFFFAOYSA-N 1 0 384.451 3.771 40 0 GHABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000095532908 535095553 /nfs/dbraw/zinc/09/55/53/535095553.db2.gz VNMRXZNXEDNUMN-UOAUAQBLSA-N 1 0 390.543 3.540 40 0 GHABRO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000514290363 560029799 /nfs/dbraw/zinc/02/97/99/560029799.db2.gz YQNOLMXJBITYHX-CTNGQTDRSA-N 1 0 384.426 3.559 40 0 biogenic,in-vitro GHABRO C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(c3c(cc1O)CNC3=[NH2+])O2 ZINC000252516345 560040748 /nfs/dbraw/zinc/04/07/48/560040748.db2.gz SDIGNZADDDFEPI-TWDUYNABSA-N 1 0 384.520 3.728 40 0 biogenic,in-vitro GHABRO O=C(CC[NH+]1CCCCC1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000001622985 560183155 /nfs/dbraw/zinc/18/31/55/560183155.db2.gz QSBRTZBQSHLYRI-XMMPIXPASA-N 1 0 388.515 3.913 40 0 in-vitro GHABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4OC)C3)C2)c1 ZINC000096215589 570219356 /nfs/dbraw/zinc/21/93/56/570219356.db2.gz UHLXVUUQIDOCCO-HSZRJFAPSA-N 1 0 381.520 3.587 40 0 GHABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4ccco4)nc23)c1 ZINC000096244221 570223549 /nfs/dbraw/zinc/22/35/49/570223549.db2.gz CCIMVUOBAWXKFC-QHCPKHFHSA-N 1 0 390.487 3.664 40 0 GHABRO CCCC(CCC)[N@@H+]1CCN(C(C)=O)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281841 570247997 /nfs/dbraw/zinc/24/79/97/570247997.db2.gz CCOXICDMWQNKDF-HSZRJFAPSA-N 1 0 390.568 3.546 40 0 GHABRO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCc1ccccc1 ZINC000021822124 570314840 /nfs/dbraw/zinc/31/48/40/570314840.db2.gz LQGMWJQGYLWKBM-UHFFFAOYSA-N 1 0 399.538 3.710 40 0 GHABRO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039768305 570446525 /nfs/dbraw/zinc/44/65/25/570446525.db2.gz RWXRNKXLBLTYAT-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1C1CC1 ZINC000223216768 570450749 /nfs/dbraw/zinc/45/07/49/570450749.db2.gz YXRSYWQDIPPBOI-RTWAWAEBSA-N 1 0 397.592 3.759 40 0 GHABRO CCCCC/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)NCCC[NH3+] ZINC000043898788 570631105 /nfs/dbraw/zinc/63/11/05/570631105.db2.gz OIKPVPQZNCNDHN-XKJCYZIZSA-N 1 0 392.584 3.539 40 0 in-vitro GHABRO C[N@H+](CCOC(=O)c1cccc(I)c1)Cc1ccccc1 ZINC000045221503 570646570 /nfs/dbraw/zinc/64/65/70/570646570.db2.gz NLBXKKWIOHBAJC-UHFFFAOYSA-N 1 0 395.240 3.580 40 0 GHABRO COC(=O)c1cc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000260742728 570702422 /nfs/dbraw/zinc/70/24/22/570702422.db2.gz YIARAPCHLMYEFN-ZDUSSCGKSA-N 1 0 383.945 3.535 40 0 GHABRO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013674479 570771787 /nfs/dbraw/zinc/77/17/87/570771787.db2.gz RFRRPKBORHOIQB-UHFFFAOYSA-N 1 0 379.353 3.535 40 0 GHABRO Cc1cc(C[N@H+]2CCC[C@]3(CCCN3C(=O)c3cc(C(C)C)on3)CC2)n(C)n1 ZINC000585100841 570928429 /nfs/dbraw/zinc/92/84/29/570928429.db2.gz YNRAXWUTJKMHAK-QFIPXVFZSA-N 1 0 399.539 3.501 40 0 GHABRO CCCC[C@H](c1nnnn1CCc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000020142172 570941904 /nfs/dbraw/zinc/94/19/04/570941904.db2.gz UBVNPEANJCLKBS-JOCHJYFZSA-N 1 0 396.583 3.707 40 0 GHABRO Cc1cc(C(F)(F)F)nn1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000019119295 570957204 /nfs/dbraw/zinc/95/72/04/570957204.db2.gz KECVAVZTBJXFNI-UHFFFAOYSA-N 1 0 394.441 3.513 40 0 GHABRO Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)C[NH+]1CCCCCC1 ZINC000019239569 570968710 /nfs/dbraw/zinc/96/87/10/570968710.db2.gz OKECKNZPYXADFB-HXUWFJFHSA-N 1 0 381.524 3.710 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CC1 ZINC000019400673 570982237 /nfs/dbraw/zinc/98/22/37/570982237.db2.gz UXKVFKQCAIBIIK-DYESRHJHSA-N 1 0 385.458 3.839 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccs1 ZINC000019400740 570982809 /nfs/dbraw/zinc/98/28/09/570982809.db2.gz BMSUIFSKDWZQQA-NQIIRXRSSA-N 1 0 392.528 3.921 40 0 GHABRO CC(=O)N1CCc2nc(C3CC[NH+](CC[C@H](C)c4ccccc4)CC3)ncc2C1 ZINC000019455636 570987156 /nfs/dbraw/zinc/98/71/56/570987156.db2.gz BEEFFXZQARXIPR-SFHVURJKSA-N 1 0 392.547 3.754 40 0 GHABRO CCCN1CC[N@H+](CC2CC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503264 570993559 /nfs/dbraw/zinc/99/35/59/570993559.db2.gz ISJFPIHINTYKGV-QFIPXVFZSA-N 1 0 377.532 3.872 40 0 GHABRO CCCOc1ccccc1CN1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019525169 570996936 /nfs/dbraw/zinc/99/69/36/570996936.db2.gz UONNCGXVIHAYIO-NRFANRHFSA-N 1 0 380.536 3.981 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)c1 ZINC000019565102 571007380 /nfs/dbraw/zinc/00/73/80/571007380.db2.gz COAYCCVUFLGWGO-AWEZNQCLSA-N 1 0 391.397 3.531 40 0 GHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019591757 571019002 /nfs/dbraw/zinc/01/90/02/571019002.db2.gz BVETXYIOKUQKSV-QHCPKHFHSA-N 1 0 391.540 3.991 40 0 GHABRO CNc1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@@H+]3C)ccn1 ZINC000019592072 571019269 /nfs/dbraw/zinc/01/92/69/571019269.db2.gz KCXUKWZVPSXCSO-VWPQPMDRSA-N 1 0 396.510 3.745 40 0 GHABRO O=C(Nc1nnc(C2CCCCC2)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000019661189 571025851 /nfs/dbraw/zinc/02/58/51/571025851.db2.gz YDKSHOXIVXPGFS-UHFFFAOYSA-N 1 0 399.564 3.874 40 0 GHABRO Cc1nc(N2CCCC2)sc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000019663610 571026979 /nfs/dbraw/zinc/02/69/79/571026979.db2.gz YTBZGUXFVRTTQY-MRXNPFEDSA-N 1 0 392.956 3.738 40 0 GHABRO CNc1nc([C@H]2CCCC[N@@H+]2CC2CCCCC2)nc2c1CN(C(C)=O)CC2 ZINC000019711615 571035538 /nfs/dbraw/zinc/03/55/38/571035538.db2.gz HREWOHXEDYNDTN-HXUWFJFHSA-N 1 0 385.556 3.530 40 0 GHABRO C[C@H](CC[NH+]1CCCCCC1)NC(=O)C1(c2ccccc2F)CCOCC1 ZINC000019713961 571035653 /nfs/dbraw/zinc/03/56/53/571035653.db2.gz HNXABUFBEUPGEI-GOSISDBHSA-N 1 0 376.516 3.645 40 0 GHABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](CC1CCOCC1)CC2 ZINC000096037047 571096461 /nfs/dbraw/zinc/09/64/61/571096461.db2.gz LGKMYIVWRJYIIP-UHFFFAOYSA-N 1 0 394.563 3.603 40 0 GHABRO Fc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cc1 ZINC000096038272 571097111 /nfs/dbraw/zinc/09/71/11/571097111.db2.gz FJOSLUXCSQYCHZ-UHFFFAOYSA-N 1 0 379.483 3.848 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21)NC1CC1 ZINC000096052992 571097696 /nfs/dbraw/zinc/09/76/96/571097696.db2.gz QMRZLXYTVVGWCW-IBGZPJMESA-N 1 0 375.516 3.771 40 0 GHABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019235945 856420964 /nfs/dbraw/zinc/42/09/64/856420964.db2.gz OEQRTXAFJKWUBA-SIKLNZKXSA-N 1 0 393.531 3.878 40 0 GHABRO COc1ccc(-c2nc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)[nH]c2C(N)=O)cc1 ZINC000019696989 856423262 /nfs/dbraw/zinc/42/32/62/856423262.db2.gz BQBFSTQNXFKPLV-MRXNPFEDSA-N 1 0 394.519 3.720 40 0 GHABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCCN3Cc3ccc(F)cc3)c2)CC1 ZINC000019698127 856423283 /nfs/dbraw/zinc/42/32/83/856423283.db2.gz BKKUNJJSOZZAOM-QHCPKHFHSA-N 1 0 396.510 3.535 40 0 GHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@H+]2Cc1cn(C)nc1C ZINC000019712908 856427368 /nfs/dbraw/zinc/42/73/68/856427368.db2.gz SJLMGKPENSANNQ-SMIHKQSGSA-N 1 0 394.563 3.705 40 0 GHABRO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000019739196 856428122 /nfs/dbraw/zinc/42/81/22/856428122.db2.gz ZXJVVTDAZAQKBL-SJQUQUAPSA-N 1 0 381.520 3.882 40 0 GHABRO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000019739208 856428369 /nfs/dbraw/zinc/42/83/69/856428369.db2.gz XOUGWDANPZHKPQ-QHCPKHFHSA-N 1 0 399.535 3.766 40 0 GHABRO CCCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)cn1 ZINC000248195403 870313349 /nfs/dbraw/zinc/31/33/49/870313349.db2.gz OXYYHSFARQYGBZ-GREBRCKQSA-N 1 0 381.520 3.557 40 0 GHABRO C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000253591090 871892723 /nfs/dbraw/zinc/89/27/23/871892723.db2.gz JCOVILCFVSITPQ-BPAFIMBUSA-N 1 0 398.551 3.583 40 0 GHABRO COc1ccc2c(c1)C(=O)N[C@]1(CC[N@@H+]([C@H](C)Cc3ccc(F)cc3)C1)CC2 ZINC000247917485 880085748 /nfs/dbraw/zinc/08/57/48/880085748.db2.gz BNBNWBMDHVTXPC-MWTRTKDXSA-N 1 0 382.479 3.586 40 0 GHABRO CC[C@@H](C)Nc1nc(N2CCc3cc(C(=O)OC)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328998633 203768331 /nfs/dbraw/zinc/76/83/31/203768331.db2.gz JTRBEMLLTRAYIB-OAHLLOKOSA-N 1 0 382.508 3.582 40 0 GHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccnc2)n1 ZINC000328997306 203769604 /nfs/dbraw/zinc/76/96/04/203769604.db2.gz JOKWLNDWKPAXGX-UHFFFAOYSA-N 1 0 390.535 3.975 40 0 GHABRO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004320412 204038238 /nfs/dbraw/zinc/03/82/38/204038238.db2.gz CTSCDVGXOUUSJP-JOCHJYFZSA-N 1 0 381.516 3.974 40 0 GHABRO O=C(COc1ccccc1)Nc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000004941677 204094663 /nfs/dbraw/zinc/09/46/63/204094663.db2.gz OHZIRONIADQPSI-UHFFFAOYSA-N 1 0 378.476 3.540 40 0 GHABRO Cc1ccc2nc(C(F)(F)F)n(CC(=O)NC(C)(C)C[NH+]3CCCCC3)c2c1 ZINC000035322687 204167999 /nfs/dbraw/zinc/16/79/99/204167999.db2.gz PCZXJPFOQMRGFO-UHFFFAOYSA-N 1 0 396.457 3.744 40 0 GHABRO C[C@@H](O)C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccc2c(c1)OCO2 ZINC000012116733 204372352 /nfs/dbraw/zinc/37/23/52/204372352.db2.gz HWTXOFOJCIZJMA-CQSZACIVSA-N 1 0 399.878 3.842 40 0 GHABRO COc1ccc([C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000012128671 204374428 /nfs/dbraw/zinc/37/44/28/204374428.db2.gz WNGYFPVLWDHFJV-XOKHGSTOSA-N 1 0 395.425 3.657 40 0 GHABRO CC[NH+](CC)C[C@@H]1CCCN(c2c(C)c(C)nc3cc(C4CCOCC4)nn32)C1 ZINC000012155421 204376750 /nfs/dbraw/zinc/37/67/50/204376750.db2.gz HGKWVOFXFCHGIA-IBGZPJMESA-N 1 0 399.583 3.798 40 0 GHABRO CCc1cc(C(F)(F)F)n2nc(C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2n1 ZINC000012160593 204378596 /nfs/dbraw/zinc/37/85/96/204378596.db2.gz PIXLKHSBZOBUEV-ZDUSSCGKSA-N 1 0 382.430 3.526 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)C)c2nccs2)C1 ZINC000012183332 204378703 /nfs/dbraw/zinc/37/87/03/204378703.db2.gz HLSHJRUNUIEOPH-PKOBYXMFSA-N 1 0 387.549 3.877 40 0 GHABRO OC1(c2ccccc2F)CC[NH+](Cc2ccccc2OC[C@H]2CCCO2)CC1 ZINC000012240590 204386006 /nfs/dbraw/zinc/38/60/06/204386006.db2.gz XVYMLDMQOYYEPG-LJQANCHMSA-N 1 0 385.479 3.867 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c(F)c1 ZINC000012234363 204386178 /nfs/dbraw/zinc/38/61/78/204386178.db2.gz UVJOPSPPIRQAMX-UHFFFAOYSA-N 1 0 394.450 3.772 40 0 GHABRO CCCc1ncc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cn1 ZINC000012238601 204386374 /nfs/dbraw/zinc/38/63/74/204386374.db2.gz KYXYISPFKHVJPW-DETIRCLXSA-N 1 0 381.520 3.557 40 0 GHABRO COc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)CCC2 ZINC000012292958 204388778 /nfs/dbraw/zinc/38/87/78/204388778.db2.gz APIOCSKPBQTSDV-UHFFFAOYSA-N 1 0 396.506 3.950 40 0 GHABRO COc1cccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)c1OC ZINC000012330007 204398378 /nfs/dbraw/zinc/39/83/78/204398378.db2.gz NOQYBMZYUQJEHB-UHFFFAOYSA-N 1 0 380.448 3.528 40 0 GHABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c1 ZINC000012330042 204398503 /nfs/dbraw/zinc/39/85/03/204398503.db2.gz OAHMNRCHVPFMQI-FGZHOGPDSA-N 1 0 397.515 3.696 40 0 GHABRO COc1ccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1CO ZINC000036740555 205020986 /nfs/dbraw/zinc/02/09/86/205020986.db2.gz WGDKLXHDXBVPAI-UHFFFAOYSA-N 1 0 397.563 3.894 40 0 GHABRO CNc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740466 205022349 /nfs/dbraw/zinc/02/23/49/205022349.db2.gz VUDAHSSSTCCGDF-UHFFFAOYSA-N 1 0 385.531 3.969 40 0 GHABRO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044852589 205088097 /nfs/dbraw/zinc/08/80/97/205088097.db2.gz OLQAERMNAHSNRE-SFHVURJKSA-N 1 0 384.495 3.930 40 0 GHABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]CCc2cccc(Br)c2)C1 ZINC000089223571 205186060 /nfs/dbraw/zinc/18/60/60/205186060.db2.gz LFLCLGISMPCQMA-HNNXBMFYSA-N 1 0 383.330 3.838 40 0 GHABRO Cc1cc2nc(C3CC[NH+](Cc4ccncc4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340754 205327577 /nfs/dbraw/zinc/32/75/77/205327577.db2.gz OBQHCWKSRFINJZ-UHFFFAOYSA-N 1 0 375.398 3.831 40 0 GHABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000072345974 205329545 /nfs/dbraw/zinc/32/95/45/205329545.db2.gz SXUDYMCSZFIBKP-QGZVFWFLSA-N 1 0 375.476 3.509 40 0 GHABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCCC1 ZINC000072348781 205330581 /nfs/dbraw/zinc/33/05/81/205330581.db2.gz MZECRUCSNJHSCD-LJQANCHMSA-N 1 0 381.495 3.613 40 0 GHABRO C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CC[N@@H+]1Cc1cccc2c1OCO2 ZINC000072391886 205340710 /nfs/dbraw/zinc/34/07/10/205340710.db2.gz GZWMBXRICSWDQA-UZLBHIALSA-N 1 0 396.462 3.637 40 0 GHABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4c[nH]nc4-c4cccs4)C[C@H]32)nc1 ZINC000072392562 205341097 /nfs/dbraw/zinc/34/10/97/205341097.db2.gz AMQPKDAVORRCIR-XPIZARPCSA-N 1 0 380.517 3.571 40 0 GHABRO COc1ccc2c(c1)c([C@@H]1CN(Cc3ccccc3OC)C[C@H]1[NH+](C)C)cn2C ZINC000072395532 205342877 /nfs/dbraw/zinc/34/28/77/205342877.db2.gz JGMYLEYSLODRGJ-JTHBVZDNSA-N 1 0 393.531 3.725 40 0 GHABRO C[C@H](O)C(=O)O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000095871148 205504034 /nfs/dbraw/zinc/50/40/34/205504034.db2.gz ATZOURLUNRGDHW-CCWIQGQESA-N 1 0 383.532 3.894 40 0 GHABRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)n1 ZINC000096239642 205548619 /nfs/dbraw/zinc/54/86/19/205548619.db2.gz LTNZFWCAAAJMNC-LJQANCHMSA-N 1 0 376.426 3.662 40 0 GHABRO COc1ccc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000225413790 206045805 /nfs/dbraw/zinc/04/58/05/206045805.db2.gz IAPMNCLXHMIOJP-LNGMVNIQSA-N 1 0 380.532 3.659 40 0 GHABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NC3CC[NH+](C)CC3)ccc1OC2(C)C ZINC000257200238 206158431 /nfs/dbraw/zinc/15/84/31/206158431.db2.gz ACNZZYXZJHAWSZ-ZTFGCOKTSA-N 1 0 386.536 3.907 40 0 GHABRO CN(C)C(=O)c1sc2ncccc2c1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257208473 206159650 /nfs/dbraw/zinc/15/96/50/206159650.db2.gz BMHNCEVJKLELMO-UHFFFAOYSA-N 1 0 380.517 3.773 40 0 GHABRO Cc1nn(C)cc1C[NH+]1CCC(c2cccc(Nc3cccc(C)n3)n2)CC1 ZINC000257298578 206175445 /nfs/dbraw/zinc/17/54/45/206175445.db2.gz RMIUBGVSCCMNDI-UHFFFAOYSA-N 1 0 376.508 3.950 40 0 GHABRO CCOc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCCC[C@H]34)[nH]n2)cc1 ZINC000257228903 206162997 /nfs/dbraw/zinc/16/29/97/206162997.db2.gz FVUHFSIHIHNFDR-UNMCSNQZSA-N 1 0 382.508 3.612 40 0 GHABRO O=C(Cn1ccnc1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000257253748 206167699 /nfs/dbraw/zinc/16/76/99/206167699.db2.gz KACXOZWUXODWRS-WOJBJXKFSA-N 1 0 386.927 3.582 40 0 GHABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257265931 206169789 /nfs/dbraw/zinc/16/97/89/206169789.db2.gz MAXPVUFLLPLWKI-QGZVFWFLSA-N 1 0 387.911 3.721 40 0 GHABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@]2(C1)CC=CCN(C)C2=O ZINC000257311500 206178868 /nfs/dbraw/zinc/17/88/68/206178868.db2.gz UJTQDOZBSYTMEK-HSZRJFAPSA-N 1 0 396.510 3.629 40 0 GHABRO CCc1[nH]nc(C(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)c1C ZINC000257334079 206181059 /nfs/dbraw/zinc/18/10/59/206181059.db2.gz YEKVTXATLSYJMF-ROLQDKDTSA-N 1 0 392.547 3.637 40 0 GHABRO CCc1ccc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)cc1 ZINC000306144387 206207266 /nfs/dbraw/zinc/20/72/66/206207266.db2.gz ZDUPMRDAUSLZAX-UHFFFAOYSA-N 1 0 398.514 3.676 40 0 GHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccs3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306124225 206197565 /nfs/dbraw/zinc/19/75/65/206197565.db2.gz BJVXEPXYYFNYCE-DENIHFKCSA-N 1 0 398.576 3.754 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306129406 206198631 /nfs/dbraw/zinc/19/86/31/206198631.db2.gz ICDATFRAJWNURO-HXUWFJFHSA-N 1 0 385.471 3.789 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306129171 206199410 /nfs/dbraw/zinc/19/94/10/206199410.db2.gz HWGPXEURTVRUQT-YADHBBJMSA-N 1 0 393.437 3.848 40 0 GHABRO Cc1ccc(N2CCC(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000219867178 136204412 /nfs/dbraw/zinc/20/44/12/136204412.db2.gz FKHNHXWWRPPMAF-UHFFFAOYSA-N 1 0 392.547 3.602 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4cccc(F)c4)[C@@H]3C2)cc1 ZINC000072340452 526972603 /nfs/dbraw/zinc/97/26/03/526972603.db2.gz UKWRYFQDPYCLDJ-YSZBQJHXSA-N 1 0 382.479 3.904 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1c(F)cccc1Cl ZINC000010544241 529199729 /nfs/dbraw/zinc/19/97/29/529199729.db2.gz IZVBBSIIBSMXNL-AWEZNQCLSA-N 1 0 376.925 3.553 40 0 GHABRO CC(C)CC[NH2+][C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc4ccccc43)CO[C@H]12 ZINC000004236479 560197665 /nfs/dbraw/zinc/19/76/65/560197665.db2.gz VYTNIKNIRHRUFQ-DOIPELPJSA-N 1 0 384.476 3.559 40 0 biogenic,in-vitro GHABRO CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328972190 570210071 /nfs/dbraw/zinc/21/00/71/570210071.db2.gz DVFRROVJLYENME-KRWDZBQOSA-N 1 0 388.515 3.689 40 0 GHABRO CC[C@@H](C)Nc1nc(N2CCc3cc(OC)c(OC)cc3C2)cc(C(C)C)[nH+]1 ZINC000328975103 570210110 /nfs/dbraw/zinc/21/01/10/570210110.db2.gz FJMMVRPTCPMABX-OAHLLOKOSA-N 1 0 384.524 3.812 40 0 GHABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc1F ZINC000328983742 570210852 /nfs/dbraw/zinc/21/08/52/570210852.db2.gz HJWLUTLATPRLTJ-UHFFFAOYSA-N 1 0 379.483 3.542 40 0 GHABRO COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCC[N@@H+]2CC(C)C)cc1 ZINC000019766475 570217550 /nfs/dbraw/zinc/21/75/50/570217550.db2.gz AUWWTDKRSLSOOU-OAQYLSRUSA-N 1 0 396.535 3.907 40 0 GHABRO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)o1 ZINC000096215930 570219522 /nfs/dbraw/zinc/21/95/22/570219522.db2.gz YGJKVHDYJPEVRZ-QHCPKHFHSA-N 1 0 381.520 3.782 40 0 GHABRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)C1 ZINC000096266713 570227332 /nfs/dbraw/zinc/22/73/32/570227332.db2.gz IXIDBWSYQZYVEZ-GOSISDBHSA-N 1 0 391.519 3.694 40 0 GHABRO Cc1cnc(Nc2ccnc(CC3CC[NH+](Cc4cccnc4)CC3)n2)s1 ZINC000585262524 570230316 /nfs/dbraw/zinc/23/03/16/570230316.db2.gz CUTNGJVGMAGTDB-UHFFFAOYSA-N 1 0 380.521 3.835 40 0 GHABRO Clc1ccc2ncc(-c3cccc(C[C@H]4CC5(CO4)CC[NH2+]CC5)n3)n2c1 ZINC000585263133 570231711 /nfs/dbraw/zinc/23/17/11/570231711.db2.gz OFTHLBKHXQQVMQ-KRWDZBQOSA-N 1 0 382.895 3.751 40 0 GHABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287258 570256395 /nfs/dbraw/zinc/25/63/95/570256395.db2.gz LQPZUDHKDXZZFE-JLMWRMLUSA-N 1 0 379.516 3.873 40 0 GHABRO C[NH+]1CCN(c2ncccc2[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC000072216612 570317545 /nfs/dbraw/zinc/31/75/45/570317545.db2.gz TZIPWGPIQLMKKV-NRFANRHFSA-N 1 0 394.519 3.697 40 0 GHABRO O=C(C[NH+]1CCC(n2cnc3cc(F)ccc32)CC1)Nc1ccc2c(c1)CCC2 ZINC000004858259 570421392 /nfs/dbraw/zinc/42/13/92/570421392.db2.gz UATYWEYDJZVDQR-UHFFFAOYSA-N 1 0 392.478 3.940 40 0 GHABRO CCC1(CNC(=O)N2CC[C@@]3(C2)CCCOC3)CC[NH+](Cc2ccccc2)CC1 ZINC000671212286 570422050 /nfs/dbraw/zinc/42/20/50/570422050.db2.gz CJZJSPSMSKSEFK-XMMPIXPASA-N 1 0 399.579 3.891 40 0 GHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039768319 570446362 /nfs/dbraw/zinc/44/63/62/570446362.db2.gz HTJCANYMIDHAJQ-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039772371 570446559 /nfs/dbraw/zinc/44/65/59/570446559.db2.gz GNHXSOCRMIYHSE-UHFFFAOYSA-N 1 0 393.531 3.986 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223220358 570450692 /nfs/dbraw/zinc/45/06/92/570450692.db2.gz WECUKFLBUCXNBE-NHCUHLMSSA-N 1 0 397.592 3.922 40 0 GHABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000004231335 570622317 /nfs/dbraw/zinc/62/23/17/570622317.db2.gz BTRVAYZOBLMGEM-UHFFFAOYSA-N 1 0 396.466 3.571 40 0 GHABRO Fc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019332603 570925272 /nfs/dbraw/zinc/92/52/72/570925272.db2.gz UMPKSFWBTFBFRL-OAQYLSRUSA-N 1 0 398.530 3.577 40 0 GHABRO c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019369598 570925388 /nfs/dbraw/zinc/92/53/88/570925388.db2.gz ZMSPJIQWFOCDOI-QFIPXVFZSA-N 1 0 394.567 3.828 40 0 GHABRO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3C[C@H](C)C[C@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211949 570960850 /nfs/dbraw/zinc/96/08/50/570960850.db2.gz MQBKVYMSVBLMOP-KVPLUYHFSA-N 1 0 398.576 3.534 40 0 GHABRO c1csc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019343424 570977192 /nfs/dbraw/zinc/97/71/92/570977192.db2.gz VHWRQBDGNAMCPS-MRXNPFEDSA-N 1 0 394.548 3.908 40 0 GHABRO c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371950 570981120 /nfs/dbraw/zinc/98/11/20/570981120.db2.gz QEBKSIYOKFGCHM-IBGZPJMESA-N 1 0 388.519 3.847 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1OC(C)C ZINC000019450489 570985026 /nfs/dbraw/zinc/98/50/26/570985026.db2.gz SFEDVNZBNKFRSO-QGZVFWFLSA-N 1 0 395.507 3.539 40 0 GHABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019503691 570993603 /nfs/dbraw/zinc/99/36/03/570993603.db2.gz MUEBAMAWGUGYHH-GOSISDBHSA-N 1 0 378.476 3.742 40 0 GHABRO CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)c1C ZINC000019520969 570994193 /nfs/dbraw/zinc/99/41/93/570994193.db2.gz QSYFZXLTCNFODL-DWLFOUALSA-N 1 0 380.536 3.763 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2cnn(Cc3ccccc3)c2C)CC1 ZINC000019554519 571002502 /nfs/dbraw/zinc/00/25/02/571002502.db2.gz TXQPOAJTICMAFE-UHFFFAOYSA-N 1 0 391.515 3.732 40 0 GHABRO COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000019557741 571003913 /nfs/dbraw/zinc/00/39/13/571003913.db2.gz YYBRUBMNTRAFEP-WXFUMESZSA-N 1 0 390.527 3.922 40 0 GHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1n[nH]c2c1CCCC2 ZINC000019589100 571016316 /nfs/dbraw/zinc/01/63/16/571016316.db2.gz CCMHTLHTDAZRDH-WPYKKVEZSA-N 1 0 392.547 3.771 40 0 GHABRO COc1ccccc1/C=C/CN1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019590309 571017506 /nfs/dbraw/zinc/01/75/06/571017506.db2.gz DOSUACGESOKBGZ-OEAKIKGJSA-N 1 0 378.520 3.714 40 0 GHABRO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000019715455 571037399 /nfs/dbraw/zinc/03/73/99/571037399.db2.gz FCYWNNNAQGBZMV-UHFFFAOYSA-N 1 0 384.568 3.566 40 0 GHABRO Cc1cccc2c(C(=O)NC[C@@H](C(C)C)[NH+](C)C)cc(-c3cccnc3)nc12 ZINC000019716686 571038619 /nfs/dbraw/zinc/03/86/19/571038619.db2.gz DZOATRBWOWNGBG-NRFANRHFSA-N 1 0 376.504 3.921 40 0 GHABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1)C1CCCC1 ZINC000012089239 856418921 /nfs/dbraw/zinc/41/89/21/856418921.db2.gz ROSVHNIZALBHPU-RTBURBONSA-N 1 0 384.549 3.798 40 0 GHABRO c1cc(-c2cnc(N3CC[N@H+]4CCCC[C@H]4C3)nc2-c2cccnc2)cs1 ZINC000013266246 856419867 /nfs/dbraw/zinc/41/98/67/856419867.db2.gz FWYYTKHIZUXMHY-SFHVURJKSA-N 1 0 377.517 3.942 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019570209 856421141 /nfs/dbraw/zinc/42/11/41/856421141.db2.gz AOBDGEUISKTNJI-SIKLNZKXSA-N 1 0 379.504 3.570 40 0 GHABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3Cc3ccc(F)cc3)c2)CC1 ZINC000019698128 856423908 /nfs/dbraw/zinc/42/39/08/856423908.db2.gz BKKUNJJSOZZAOM-HSZRJFAPSA-N 1 0 396.510 3.535 40 0 GHABRO CCn1ccc(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@@H+]3C)n1 ZINC000019713054 856427256 /nfs/dbraw/zinc/42/72/56/856427256.db2.gz JTPSODPSQAOWJR-FCEUIQTBSA-N 1 0 380.536 3.603 40 0 GHABRO Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044852836 856442258 /nfs/dbraw/zinc/44/22/58/856442258.db2.gz DZYSEYKJUVIBOO-QUCCMNQESA-N 1 0 384.495 3.930 40 0 GHABRO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000329064687 203772315 /nfs/dbraw/zinc/77/23/15/203772315.db2.gz XLSLTKGCVXTBBX-UHFFFAOYSA-N 1 0 393.457 3.632 40 0 GHABRO COC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccco2)c1 ZINC000004888025 204087542 /nfs/dbraw/zinc/08/75/42/204087542.db2.gz FNISCRSOPZRMQU-YQQQUEKLSA-N 1 0 397.475 3.773 40 0 GHABRO Cc1cc(C)c(NC(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)c(C)c1 ZINC000004895542 204087590 /nfs/dbraw/zinc/08/75/90/204087590.db2.gz FKPWBKBQKHWJPT-UHFFFAOYSA-N 1 0 395.482 3.771 40 0 GHABRO C[NH+](C)CCCNC(=S)N(CCc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000035312930 204167218 /nfs/dbraw/zinc/16/72/18/204167218.db2.gz SEWKFEUIOCBXJZ-UHFFFAOYSA-N 1 0 387.597 3.566 40 0 GHABRO COc1cccc(-c2n[nH]cc2C[NH+]2CCC(O)(c3ccccc3OC)CC2)c1 ZINC000012147586 204376355 /nfs/dbraw/zinc/37/63/55/204376355.db2.gz SUAUQPBHQQRYJL-UHFFFAOYSA-N 1 0 393.487 3.578 40 0 GHABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000012344411 204398713 /nfs/dbraw/zinc/39/87/13/204398713.db2.gz YQNLMJAFTUSGCR-UHFFFAOYSA-N 1 0 392.478 3.639 40 0 GHABRO COc1ccc2nc(Cl)c(C[NH2+]C3CCCC3)c(N3CCOCC3)c2c1 ZINC000036734984 205022253 /nfs/dbraw/zinc/02/22/53/205022253.db2.gz BTOBFPMYBFESNO-UHFFFAOYSA-N 1 0 375.900 3.766 40 0 GHABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000057136964 205154457 /nfs/dbraw/zinc/15/44/57/205154457.db2.gz KBOQISMLELHQDA-QGZVFWFLSA-N 1 0 380.488 3.547 40 0 GHABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000072345956 205329631 /nfs/dbraw/zinc/32/96/31/205329631.db2.gz YUXJZTQNZYHRKH-GOSISDBHSA-N 1 0 375.476 3.509 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC(c3cccc(Cc4ccccc4F)n3)CC2)CC1 ZINC000072350395 205330443 /nfs/dbraw/zinc/33/04/43/205330443.db2.gz MCOZBPICTDLVKJ-UHFFFAOYSA-N 1 0 395.522 3.859 40 0 GHABRO Cc1nc([C@H]2CCC[N@@H+](C(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000072371925 205335941 /nfs/dbraw/zinc/33/59/41/205335941.db2.gz OGQNZTIQRQBDAS-SFHVURJKSA-N 1 0 396.510 3.644 40 0 GHABRO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](CC[C@H](C)c2ccccc2)C3)C1 ZINC000072390914 205342341 /nfs/dbraw/zinc/34/23/41/205342341.db2.gz VMDYUJXHFVICHB-GHTZIAJQSA-N 1 0 392.547 3.754 40 0 GHABRO COc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1C(C)C ZINC000225113158 206037116 /nfs/dbraw/zinc/03/71/16/206037116.db2.gz BKGCSCCPPAHSDW-UHFFFAOYSA-N 1 0 382.570 3.527 40 0 GHABRO O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000225272635 206041157 /nfs/dbraw/zinc/04/11/57/206041157.db2.gz XRVQRFPJWQRCPP-HXUWFJFHSA-N 1 0 380.488 3.632 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1C ZINC000225400584 206046115 /nfs/dbraw/zinc/04/61/15/206046115.db2.gz MMYGKURHEPRPRL-UHFFFAOYSA-N 1 0 377.554 3.724 40 0 GHABRO CCN1C(=O)CC[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccccc1C ZINC000257282281 206171738 /nfs/dbraw/zinc/17/17/38/206171738.db2.gz OTDBXMYZWPNSPY-GGAORHGYSA-N 1 0 399.579 3.531 40 0 GHABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnc(Cc2cccc(F)c2)c1 ZINC000257302380 206174844 /nfs/dbraw/zinc/17/48/44/206174844.db2.gz SCSGUHJYROQEMA-GMAHTHKFSA-N 1 0 381.495 3.900 40 0 GHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257307530 206177399 /nfs/dbraw/zinc/17/73/99/206177399.db2.gz SZCDBRMAVFMFHP-HXUWFJFHSA-N 1 0 381.520 3.847 40 0 GHABRO Cc1ccc(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257235759 206164766 /nfs/dbraw/zinc/16/47/66/206164766.db2.gz GZHHFDPZOAMIDN-OAQYLSRUSA-N 1 0 394.563 3.767 40 0 GHABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257265930 206169680 /nfs/dbraw/zinc/16/96/80/206169680.db2.gz MAXPVUFLLPLWKI-KRWDZBQOSA-N 1 0 387.911 3.721 40 0 GHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257339302 206181690 /nfs/dbraw/zinc/18/16/90/206181690.db2.gz ZBDUUPSJNFLFIE-HXUWFJFHSA-N 1 0 385.483 3.944 40 0 GHABRO C[C@H](O)C(=O)O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000299754617 206184480 /nfs/dbraw/zinc/18/44/80/206184480.db2.gz ATZOURLUNRGDHW-KKYITRMCSA-N 1 0 383.532 3.894 40 0 GHABRO CC(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@@H]3[NH+]3CCCC3)C2)c1O ZINC000306124318 206196249 /nfs/dbraw/zinc/19/62/49/206196249.db2.gz BMOWRXCBCTWGEJ-NZQKXSOJSA-N 1 0 386.536 3.765 40 0 GHABRO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@H+](Cc3scnc3C)C1)C2 ZINC000306124387 206196927 /nfs/dbraw/zinc/19/69/27/206196927.db2.gz BOFBTERMWXMKJC-NRFANRHFSA-N 1 0 380.517 3.772 40 0 GHABRO O=C1c2cccnc2C2(CC[NH+](Cc3ccccn3)CC2)N1Cc1ccccc1 ZINC000306127347 206199290 /nfs/dbraw/zinc/19/92/90/206199290.db2.gz FWMJTMDFGSGPJY-UHFFFAOYSA-N 1 0 384.483 3.624 40 0 GHABRO Fc1ccccc1-c1cnc2nnc(C3CC[NH+](Cc4ccco4)CC3)n2c1 ZINC000306130590 206201420 /nfs/dbraw/zinc/20/14/20/206201420.db2.gz JKJUGIBELIMQLJ-UHFFFAOYSA-N 1 0 377.423 3.903 40 0 GHABRO Cc1cc2nc(C3CC[NH+](Cc4[nH]c5ccc(F)cc5c4C)CC3)cc(N)n2n1 ZINC000012121569 221154036 /nfs/dbraw/zinc/15/40/36/221154036.db2.gz QFORPKKLAJNVDT-UHFFFAOYSA-N 1 0 392.482 3.928 40 0 GHABRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccccc1N1CCCCC1 ZINC000022457885 136204022 /nfs/dbraw/zinc/20/40/22/136204022.db2.gz KATBYCBPLVGOSL-UHFFFAOYSA-N 1 0 384.568 3.566 40 0 GHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]2C1 ZINC000096080946 570209867 /nfs/dbraw/zinc/20/98/67/570209867.db2.gz JTHNRDBHUACLLY-OYRHEFFESA-N 1 0 382.935 3.906 40 0 GHABRO Cc1cc(F)ccc1Nc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000329040283 570214412 /nfs/dbraw/zinc/21/44/12/570214412.db2.gz SCHTZQZGZJLBKQ-UHFFFAOYSA-N 1 0 380.471 3.515 40 0 GHABRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@@H]1CNC(=O)c1ccsc1 ZINC000000967961 570232233 /nfs/dbraw/zinc/23/22/33/570232233.db2.gz NPGABYHTDVGGJK-MRXNPFEDSA-N 1 0 393.487 3.973 40 0 in-man GHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3c(C)cccc3C)cc2c1 ZINC000585283069 570251322 /nfs/dbraw/zinc/25/13/22/570251322.db2.gz BGXPAOGDYIRHBE-HXUWFJFHSA-N 1 0 380.488 3.704 40 0 GHABRO OCC[NH+](CCO)CCN1c2ccccc2Sc2c3ccccc3ccc21 ZINC000001690554 570267126 /nfs/dbraw/zinc/26/71/26/570267126.db2.gz XSHMXGDZDMXSLO-UHFFFAOYSA-N 1 0 380.513 3.729 40 0 GHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 ZINC000100750229 570276376 /nfs/dbraw/zinc/27/63/76/570276376.db2.gz LGAFSCHTIDYXOA-HFJQGTKSSA-N 1 0 383.511 3.989 40 0 GHABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023633523 570300932 /nfs/dbraw/zinc/30/09/32/570300932.db2.gz SSYBLIKKSQBNIM-NQIIRXRSSA-N 1 0 386.511 3.901 40 0 GHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000000880597 570508035 /nfs/dbraw/zinc/50/80/35/570508035.db2.gz LNPGJVZOEFYWPC-UHFFFAOYSA-N 1 0 394.544 3.597 40 0 GHABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035088604 570549829 /nfs/dbraw/zinc/54/98/29/570549829.db2.gz QMIIWQGANXDDCF-JBJBFBLISA-N 1 0 392.559 3.786 40 0 GHABRO CCN(CC)C(=O)C[NH+]1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 ZINC000004092436 570618507 /nfs/dbraw/zinc/61/85/07/570618507.db2.gz DJXFIKHLRZDYSF-UHFFFAOYSA-N 1 0 396.457 3.869 40 0 GHABRO OCC1CCC2(CC1)C[N@H+](Cc1ccc3c(c1)OCO3)Cc1ccccc1O2 ZINC000012408065 570654896 /nfs/dbraw/zinc/65/48/96/570654896.db2.gz CNZSGEPOYRCFTF-UHFFFAOYSA-N 1 0 381.472 3.731 40 0 GHABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260735403 570701713 /nfs/dbraw/zinc/70/17/13/570701713.db2.gz HMILFIKTJITAEM-HNNXBMFYSA-N 1 0 377.554 3.580 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4cccc(F)c4)[C@@H]3C2)cc1 ZINC000072340451 570880334 /nfs/dbraw/zinc/88/03/34/570880334.db2.gz UKWRYFQDPYCLDJ-NMNUPHIUSA-N 1 0 382.479 3.904 40 0 GHABRO COc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1C ZINC000257327378 570908249 /nfs/dbraw/zinc/90/82/49/570908249.db2.gz XBCFNOYBBOKJMG-LYHRCORUSA-N 1 0 381.520 3.564 40 0 GHABRO COCC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1cc3cccc(OC)c3o1)CC2 ZINC000585100211 570924053 /nfs/dbraw/zinc/92/40/53/570924053.db2.gz HRBNSSOKTYVHJH-JOCHJYFZSA-N 1 0 386.492 3.549 40 0 GHABRO Cc1cc(-c2cnc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc2-c2ccc(C)o2)on1 ZINC000019216677 570961811 /nfs/dbraw/zinc/96/18/11/570961811.db2.gz BQJITNRATHQCBM-MRXNPFEDSA-N 1 0 379.464 3.683 40 0 GHABRO COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)CCC2 ZINC000019237706 570967460 /nfs/dbraw/zinc/96/74/60/570967460.db2.gz FCUHGXMYLOVHIL-LEEZEASISA-N 1 0 378.516 3.617 40 0 GHABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1OC1CCCC1)C2 ZINC000019291412 570972269 /nfs/dbraw/zinc/97/22/69/570972269.db2.gz PNBWHCQHNMFUBS-VXMMSVGHSA-N 1 0 395.547 3.861 40 0 GHABRO Fc1cccc(Cl)c1C[N@@H+]1C[C@H]2CCc3nnc(-c4cccnc4)n3[C@H]2C1 ZINC000019292595 570972805 /nfs/dbraw/zinc/97/28/05/570972805.db2.gz RRHFZBHAAWVPMO-KDOFPFPSSA-N 1 0 383.858 3.752 40 0 GHABRO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](CC1(c3ccc(Cl)cc3)CC1)CC2 ZINC000019332789 570975610 /nfs/dbraw/zinc/97/56/10/570975610.db2.gz YDDAHRDXNAGWMI-UHFFFAOYSA-N 1 0 392.890 3.575 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccncc2)C1)c1cccs1 ZINC000019400764 570982850 /nfs/dbraw/zinc/98/28/50/570982850.db2.gz OGCHUPSANHBIES-RXVVDRJESA-N 1 0 392.528 3.921 40 0 GHABRO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C[C@H](C)c3ccccc3)ncc2C1 ZINC000019456139 570987371 /nfs/dbraw/zinc/98/73/71/570987371.db2.gz HJSUJDQVXKNDCS-HTAPYJJXSA-N 1 0 378.520 3.712 40 0 GHABRO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@H+](Cc3ccncc3C)C[C@H]21 ZINC000019520111 570993681 /nfs/dbraw/zinc/99/36/81/570993681.db2.gz JXLBPJMMAPGCIK-RBBKRZOGSA-N 1 0 393.531 3.915 40 0 GHABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)c1 ZINC000019564821 571006849 /nfs/dbraw/zinc/00/68/49/571006849.db2.gz SNNFGCXWAXBRQP-HSZRJFAPSA-N 1 0 393.531 3.960 40 0 GHABRO C[C@@H](CC[NH+]1CCCCCC1)NC(=O)C1(c2ccccc2F)CCOCC1 ZINC000019713960 571035725 /nfs/dbraw/zinc/03/57/25/571035725.db2.gz HNXABUFBEUPGEI-SFHVURJKSA-N 1 0 376.516 3.645 40 0 GHABRO CC1CCN(c2ncc(C[NH2+]CC3(c4cccc(F)c4)CCOCC3)cn2)CC1 ZINC000019715748 571038034 /nfs/dbraw/zinc/03/80/34/571038034.db2.gz JURWCSVQUIHCII-UHFFFAOYSA-N 1 0 398.526 3.690 40 0 GHABRO CCn1cc(-c2cc(C(=O)NCC3([NH+](C)C)CCCC3)c3ccccc3n2)cn1 ZINC000019716552 571038309 /nfs/dbraw/zinc/03/83/09/571038309.db2.gz QVPSCUREDOLMGP-UHFFFAOYSA-N 1 0 391.519 3.722 40 0 GHABRO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)nc(NCC[NH+](C)C)n1 ZINC000328960449 571047050 /nfs/dbraw/zinc/04/70/50/571047050.db2.gz AYCBDUOGYMXENZ-UHFFFAOYSA-N 1 0 395.429 3.700 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21)NC1CC1 ZINC000096052994 571097616 /nfs/dbraw/zinc/09/76/16/571097616.db2.gz FAHFDZHSHHKZME-IBGZPJMESA-N 1 0 375.516 3.771 40 0 GHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCN2CCc3ccccc32)CC1 ZINC000009062548 856409265 /nfs/dbraw/zinc/40/92/65/856409265.db2.gz FJWRKTKQKIHWIC-UHFFFAOYSA-N 1 0 391.559 3.776 40 0 GHABRO CCN(C(=O)c1cc(-c2ccccc2OC)n[nH]1)[C@H]1C[NH2+]C2(C1)CCCCC2 ZINC000019703895 856425123 /nfs/dbraw/zinc/42/51/23/856425123.db2.gz DWBJIJJBFWTSME-MRXNPFEDSA-N 1 0 382.508 3.612 40 0 GHABRO CCc1cc(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@@H+]3C)on1 ZINC000019713055 856426880 /nfs/dbraw/zinc/42/68/80/856426880.db2.gz MBNFZALXWCNHON-NJYVYQBISA-N 1 0 381.520 3.937 40 0 GHABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218515795 895769071 /nfs/dbraw/zinc/76/90/71/895769071.db2.gz KFKQMMJQLBWYJP-UFYCRDLUSA-N 1 0 393.936 3.570 40 0 GHABRO CN(C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1)c1ccccc1 ZINC000008635708 291132001 /nfs/dbraw/zinc/13/20/01/291132001.db2.gz BYNPBRYTNKJWQW-ABSDTBQOSA-N 1 0 384.549 3.716 40 0 biogenic,in-vitro GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010544218 204336077 /nfs/dbraw/zinc/33/60/77/204336077.db2.gz VMIBWXNUBREBGJ-CQSZACIVSA-N 1 0 379.353 3.926 40 0 GHABRO c1csc(-c2nc(N3CC[NH+](C4CCCC4)CC3)ncc2-c2cnccn2)c1 ZINC000012184710 204379072 /nfs/dbraw/zinc/37/90/72/204379072.db2.gz FHNIXEPPVIANEH-UHFFFAOYSA-N 1 0 392.532 3.727 40 0 GHABRO CCOc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000030498609 204896122 /nfs/dbraw/zinc/89/61/22/204896122.db2.gz OZJJRHQUTIZTRS-UHFFFAOYSA-N 1 0 388.533 3.550 40 0 GHABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)CCn3nc(C)nc3C)cc2)[C@H](C)C1 ZINC000036734980 205021751 /nfs/dbraw/zinc/02/17/51/205021751.db2.gz SIBGQKKQPXOVLV-UTKZUKDTSA-N 1 0 397.567 3.834 40 0 GHABRO CC[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)CCn3nc(C)nc3C)cc2)[C@H](C)C1 ZINC000036734982 205022218 /nfs/dbraw/zinc/02/22/18/205022218.db2.gz SIBGQKKQPXOVLV-DYESRHJHSA-N 1 0 397.567 3.834 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)CC1 ZINC000072350377 205331113 /nfs/dbraw/zinc/33/11/13/205331113.db2.gz KMGRUOIYCFMLDD-GOSISDBHSA-N 1 0 381.495 3.936 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)CC1 ZINC000072350398 205331355 /nfs/dbraw/zinc/33/13/55/205331355.db2.gz YTVWJWIRGJXBQB-FQEVSTJZSA-N 1 0 395.522 3.859 40 0 GHABRO CCn1cc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)c(C)n1 ZINC000072371596 205335601 /nfs/dbraw/zinc/33/56/01/205335601.db2.gz AZFFEZJLIRQADH-QGZVFWFLSA-N 1 0 397.498 3.685 40 0 GHABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1ccnn1C ZINC000072370606 205336679 /nfs/dbraw/zinc/33/66/79/205336679.db2.gz AIZIPCDVZDQUTG-OAHLLOKOSA-N 1 0 382.533 3.592 40 0 GHABRO Cc1c(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cnn1C ZINC000072376036 205337349 /nfs/dbraw/zinc/33/73/49/205337349.db2.gz AANMVEKZGARFOC-SFHVURJKSA-N 1 0 376.508 3.950 40 0 GHABRO CC(C)n1ccc(-c2cc(C(=O)N3CCC([NH+](C)C)CC3)c3ccccn23)n1 ZINC000096154702 205536544 /nfs/dbraw/zinc/53/65/44/205536544.db2.gz HPVCEDFOFSQYCE-UHFFFAOYSA-N 1 0 379.508 3.550 40 0 GHABRO CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222908886 205988727 /nfs/dbraw/zinc/98/87/27/205988727.db2.gz WONLZGWCKMMDFA-VQTJNVASSA-N 1 0 377.517 3.896 40 0 GHABRO COc1ccc(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000027698528 206014942 /nfs/dbraw/zinc/01/49/42/206014942.db2.gz VJCSWSBBCUQLAP-FRIKZZABSA-N 1 0 378.516 3.592 40 0 GHABRO COc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000224334309 206019952 /nfs/dbraw/zinc/01/99/52/206019952.db2.gz KROUASWWVBAJQE-GOSISDBHSA-N 1 0 382.504 3.736 40 0 GHABRO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224550863 206021562 /nfs/dbraw/zinc/02/15/62/206021562.db2.gz IWBOZGQMFJXIGT-UHFFFAOYSA-N 1 0 390.886 3.886 40 0 GHABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788252 206027963 /nfs/dbraw/zinc/02/79/63/206027963.db2.gz BYPSLUDEBSVYRS-QFIPXVFZSA-N 1 0 382.504 3.765 40 0 GHABRO O=S(=O)(Cc1cccc(Cl)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224779710 206028190 /nfs/dbraw/zinc/02/81/90/206028190.db2.gz IASGNMLLTGPELM-UHFFFAOYSA-N 1 0 378.925 3.555 40 0 GHABRO Cc1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1F ZINC000224853960 206028653 /nfs/dbraw/zinc/02/86/53/206028653.db2.gz RGNVAQMEZGYFIS-UHFFFAOYSA-N 1 0 376.497 3.599 40 0 GHABRO CC(C)C[NH+]1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225473770 206051614 /nfs/dbraw/zinc/05/16/14/206051614.db2.gz LOEHAOBTAZOIMM-UHFFFAOYSA-N 1 0 385.577 3.641 40 0 biogenic,in-vitro GHABRO Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1N1CCCC1=O ZINC000225737778 206071677 /nfs/dbraw/zinc/07/16/77/206071677.db2.gz OUFPFISNSGHKRJ-MRXNPFEDSA-N 1 0 388.581 3.530 40 0 GHABRO O=C(COc1cccc2c1CCCC2)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225541346 206055636 /nfs/dbraw/zinc/05/56/36/206055636.db2.gz ILFFUNLABUPDLZ-UHFFFAOYSA-N 1 0 378.516 3.509 40 0 GHABRO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000225831392 206081217 /nfs/dbraw/zinc/08/12/17/206081217.db2.gz IACHPXFPCMIGOR-UHFFFAOYSA-N 1 0 376.551 3.889 40 0 GHABRO Cc1nc2cc([C@@H]3CCC[N@H+]3C(C)C)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257212062 206159182 /nfs/dbraw/zinc/15/91/82/206159182.db2.gz CBTRIPCYDNJMSU-NRFANRHFSA-N 1 0 397.567 3.837 40 0 GHABRO Cc1ncoc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257206385 206159768 /nfs/dbraw/zinc/15/97/68/206159768.db2.gz BDDUEUWJWFPZQT-MRXSCTINSA-N 1 0 379.504 3.730 40 0 GHABRO CC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257307191 206176099 /nfs/dbraw/zinc/17/60/99/206176099.db2.gz SXONADLZTVIWNK-IIDKFBGSSA-N 1 0 392.927 3.543 40 0 GHABRO O=C1CO[C@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccccc1F)CC2 ZINC000257339929 206181550 /nfs/dbraw/zinc/18/15/50/206181550.db2.gz ZDTXZLZRNUISSF-XMMPIXPASA-N 1 0 396.506 3.652 40 0 GHABRO CC(C)CCC[C@@]1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[NH2+]CCO3)C[C@@H]21 ZINC000257324846 206179594 /nfs/dbraw/zinc/17/95/94/206179594.db2.gz WQLHDMNRNMQEAG-GWWHBBDRSA-N 1 0 375.509 3.806 40 0 GHABRO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2Cc2ccccn2)c1 ZINC000257339719 206181294 /nfs/dbraw/zinc/18/12/94/206181294.db2.gz ZCWZSAMSTGIWNO-FUDKSRODSA-N 1 0 379.504 3.855 40 0 GHABRO COc1ccc(-c2nnc3n2C2(CC[NH+](CCC(C)(C)C)CC2)CN(C)C3)cc1 ZINC000306140904 206204725 /nfs/dbraw/zinc/20/47/25/206204725.db2.gz VGMVYLUMWCZTFL-UHFFFAOYSA-N 1 0 397.567 3.626 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 ZINC000306137613 206205903 /nfs/dbraw/zinc/20/59/03/206205903.db2.gz RBJPBJMLFJDUNP-QHCPKHFHSA-N 1 0 393.462 3.873 40 0 GHABRO c1cc(-c2ccc3nc([C@H]4CC[N@@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306144087 206206297 /nfs/dbraw/zinc/20/62/97/206206297.db2.gz YVTZYCBDAHXZQV-IBGZPJMESA-N 1 0 399.454 3.510 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 ZINC000306130656 206200823 /nfs/dbraw/zinc/20/08/23/206200823.db2.gz JMHUQNWDQOTQOP-LJQANCHMSA-N 1 0 391.519 3.718 40 0 GHABRO Cc1cc(C)cc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(C(C)C)nc23)c1 ZINC000306134592 206202886 /nfs/dbraw/zinc/20/28/86/206202886.db2.gz NSUVXABAEGGVCY-UHFFFAOYSA-N 1 0 380.536 3.700 40 0 GHABRO CC(C)CNC(=O)c1ccc2c(c1)C1(CCO2)CC[NH+](Cc2ccncc2)CC1 ZINC000306134546 206203044 /nfs/dbraw/zinc/20/30/44/206203044.db2.gz NRBWXVWUGCIAMM-UHFFFAOYSA-N 1 0 393.531 3.784 40 0 GHABRO c1cc(-c2cnc(N3CC[N@H+]4CCCC[C@@H]4C3)nc2-c2cccnc2)cs1 ZINC000072396681 136169350 /nfs/dbraw/zinc/16/93/50/136169350.db2.gz FWYYTKHIZUXMHY-GOSISDBHSA-N 1 0 377.517 3.942 40 0 GHABRO c1cc(C[NH2+][C@@H]2CC3(CCN(c4ncccn4)CC3)Oc3ccccc32)co1 ZINC000096079822 136183524 /nfs/dbraw/zinc/18/35/24/136183524.db2.gz FCXXHIAZFHNRMI-LJQANCHMSA-N 1 0 376.460 3.722 40 0 GHABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113950501 536047731 /nfs/dbraw/zinc/04/77/31/536047731.db2.gz HIJFJUJNBZSLJM-FQEVSTJZSA-N 1 0 387.911 3.888 40 0 GHABRO CC(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1 ZINC000015673498 560230605 /nfs/dbraw/zinc/23/06/05/560230605.db2.gz XJCNJLHHTYJATA-IRXDYDNUSA-N 1 0 387.549 3.650 40 0 biogenic,in-vitro GHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2c(C)nc(NCC4CC4)nc23)cc1 ZINC000096244492 570223804 /nfs/dbraw/zinc/22/38/04/570223804.db2.gz PXHZRBYRNCTYAM-HSZRJFAPSA-N 1 0 378.520 3.589 40 0 GHABRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1C ZINC000585285170 570254315 /nfs/dbraw/zinc/25/43/15/570254315.db2.gz OTKKCNKYIFOCNJ-IBGZPJMESA-N 1 0 380.488 3.704 40 0 GHABRO CC(=O)Oc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cc1 ZINC000013994450 570268647 /nfs/dbraw/zinc/26/86/47/570268647.db2.gz QHKSVXZNRMXWKT-FQEVSTJZSA-N 1 0 383.444 3.522 40 0 GHABRO Clc1cccc(N2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000002022098 570272344 /nfs/dbraw/zinc/27/23/44/570272344.db2.gz KWYQGFAGMNSBQW-UHFFFAOYSA-N 1 0 398.982 3.674 40 0 GHABRO COc1cccc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)c1 ZINC000100752971 570276619 /nfs/dbraw/zinc/27/66/19/570276619.db2.gz DFVMVTZUMUVXOS-UHFFFAOYSA-N 1 0 390.443 3.570 40 0 GHABRO CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000022576644 570322290 /nfs/dbraw/zinc/32/22/90/570322290.db2.gz DQVIJOCOLCADKE-GBXCKJPGSA-N 1 0 380.532 3.571 40 0 GHABRO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1c(C)ccc1C ZINC000604406202 570358146 /nfs/dbraw/zinc/35/81/46/570358146.db2.gz ZAXFKAPJTMMVMI-FCHUYYIVSA-N 1 0 389.584 3.625 40 0 GHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)cc1 ZINC000219409705 570359279 /nfs/dbraw/zinc/35/92/79/570359279.db2.gz SJYLIRQCHAZGQS-UHFFFAOYSA-N 1 0 379.548 3.850 40 0 GHABRO Cc1ccc(Cl)cc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O ZINC000025224521 570413559 /nfs/dbraw/zinc/41/35/59/570413559.db2.gz KVLYDVDLJLJUOG-SFHVURJKSA-N 1 0 381.863 3.594 40 0 GHABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000222715944 570422201 /nfs/dbraw/zinc/42/22/01/570422201.db2.gz SHZZOCLVLWUWJJ-GOSISDBHSA-N 1 0 394.515 3.856 40 0 GHABRO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039758084 570449296 /nfs/dbraw/zinc/44/92/96/570449296.db2.gz JIMIPWSFSHUUGX-LJQANCHMSA-N 1 0 396.531 3.799 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223220178 570450652 /nfs/dbraw/zinc/45/06/52/570450652.db2.gz WECUKFLBUCXNBE-SFTDATJTSA-N 1 0 397.592 3.922 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223262306 570454234 /nfs/dbraw/zinc/45/42/34/570454234.db2.gz JNMCWNVWAMEORQ-VQTJNVASSA-N 1 0 383.565 3.532 40 0 GHABRO C[C@@H]1CCCC[N@@H+]1[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1 ZINC000036748682 570562984 /nfs/dbraw/zinc/56/29/84/570562984.db2.gz LDIYXNVMTYBEDU-XFQAVAEZSA-N 1 0 393.487 3.960 40 0 GHABRO Cc1ncc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3csc(C)n3)CC2)s1 ZINC000585100223 570923824 /nfs/dbraw/zinc/92/38/24/570923824.db2.gz IBSLHZFVPKMLMX-IBGZPJMESA-N 1 0 390.578 3.764 40 0 GHABRO CCOC[C@@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218512628 570924436 /nfs/dbraw/zinc/92/44/36/570924436.db2.gz VUMLLWYHCNZSSR-AABGKKOBSA-N 1 0 393.936 3.570 40 0 GHABRO CCOC[C@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218512697 570924566 /nfs/dbraw/zinc/92/45/66/570924566.db2.gz VUMLLWYHCNZSSR-HSALFYBXSA-N 1 0 393.936 3.570 40 0 GHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)COc2ccc(C(C)C)cc2)CC1 ZINC000226260179 570935120 /nfs/dbraw/zinc/93/51/20/570935120.db2.gz QEZGSWCJMHUYDD-UHFFFAOYSA-N 1 0 396.535 3.552 40 0 GHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000226259269 570935254 /nfs/dbraw/zinc/93/52/54/570935254.db2.gz DVEXNRIPEIYMBS-UHFFFAOYSA-N 1 0 393.318 3.970 40 0 GHABRO COc1cc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000228924179 570951579 /nfs/dbraw/zinc/95/15/79/570951579.db2.gz TZYDZEKQRQOXGV-UHFFFAOYSA-N 1 0 392.385 3.522 40 0 GHABRO Cc1cc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)ccc1Br ZINC000228921900 570951731 /nfs/dbraw/zinc/95/17/31/570951731.db2.gz ORYMILHGCAEDCJ-UHFFFAOYSA-N 1 0 387.285 3.565 40 0 GHABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3cc4c(cc3C)OCO4)C2)on1 ZINC000019125570 570957817 /nfs/dbraw/zinc/95/78/17/570957817.db2.gz OUNVBOREDDZTNO-CQSZACIVSA-N 1 0 398.488 3.918 40 0 GHABRO Cc1cnc(C(=O)NC2CC[NH+](CC3(c4ccc(Cl)cc4)CCC3)CC2)cn1 ZINC000019238990 570968388 /nfs/dbraw/zinc/96/83/88/570968388.db2.gz UKRCBGLFAYSTIG-UHFFFAOYSA-N 1 0 398.938 3.755 40 0 GHABRO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](CC1(c3ccc(Cl)cc3)CC1)C2 ZINC000019341174 570977140 /nfs/dbraw/zinc/97/71/40/570977140.db2.gz JPLWKGVIXGENDK-UHFFFAOYSA-N 1 0 392.890 3.575 40 0 GHABRO CC(C)Oc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 ZINC000019450576 570984953 /nfs/dbraw/zinc/98/49/53/570984953.db2.gz WBGBTPDOVFLSLT-IBGZPJMESA-N 1 0 390.487 3.609 40 0 GHABRO CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 ZINC000019450820 570985517 /nfs/dbraw/zinc/98/55/17/570985517.db2.gz AGYZUKXYROATOO-GOSISDBHSA-N 1 0 390.487 3.609 40 0 GHABRO Cc1c2ccccc2oc1C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019566215 571007938 /nfs/dbraw/zinc/00/79/38/571007938.db2.gz CMPJZVYOEBHIDN-UHFFFAOYSA-N 1 0 390.487 3.539 40 0 GHABRO COc1cccc([C@H]2CN(C(=O)CCCc3ccc(F)cc3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566395 571008211 /nfs/dbraw/zinc/00/82/11/571008211.db2.gz XCLPCXQWFDPIAW-CQOQZXRMSA-N 1 0 396.506 3.904 40 0 GHABRO COc1ccccc1NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019571315 571010076 /nfs/dbraw/zinc/01/00/76/571010076.db2.gz IBIDAMQRYSOYRM-MRXNPFEDSA-N 1 0 392.459 3.710 40 0 GHABRO CC(C)(C)[NH2+]C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075484 571098443 /nfs/dbraw/zinc/09/84/43/571098443.db2.gz OJASWGSLGMGZJF-UZUQRXQVSA-N 1 0 381.520 3.634 40 0 GHABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1c(C)nn(-c2ccccc2C)c1C ZINC000019712527 856425711 /nfs/dbraw/zinc/42/57/11/856425711.db2.gz DBGIWASDSLORSO-DHIUTWEWSA-N 1 0 380.536 3.773 40 0 GHABRO COc1ccc(NC(=O)c2cnc(C3CC[NH+](CC4CC4)CC3)nc2C)cc1 ZINC000019763831 856427945 /nfs/dbraw/zinc/42/79/45/856427945.db2.gz VYHVOAPYAYWFCX-UHFFFAOYSA-N 1 0 380.492 3.635 40 0 GHABRO Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044852838 856442788 /nfs/dbraw/zinc/44/27/88/856442788.db2.gz DZYSEYKJUVIBOO-ICSRJNTNSA-N 1 0 384.495 3.930 40 0 GHABRO COc1cc(CC[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c(OC)cc1Cl ZINC000096032855 860762163 /nfs/dbraw/zinc/76/21/63/860762163.db2.gz ZQYYVTABADQBTJ-UHFFFAOYSA-N 1 0 395.883 3.715 40 0 in-vitro GHABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218571851 895858278 /nfs/dbraw/zinc/85/82/78/895858278.db2.gz WSBPFZSUIWBSBP-SLFFLAALSA-N 1 0 393.936 3.570 40 0 GHABRO COc1ccc(NC(=O)[C@H]2C[C@@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000009044933 204296757 /nfs/dbraw/zinc/29/67/57/204296757.db2.gz HXEBBNTUZKJLOZ-HFXUHXBXSA-N 1 0 393.487 3.506 40 0 GHABRO O=C(COc1cccc(C(F)(F)F)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011857 204259867 /nfs/dbraw/zinc/25/98/67/204259867.db2.gz SKBXXKOKXQVJOE-UHFFFAOYSA-N 1 0 392.421 3.996 40 0 GHABRO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008326269 204272296 /nfs/dbraw/zinc/27/22/96/204272296.db2.gz JEWDUQIDZNLQGV-INIZCTEOSA-N 1 0 394.309 3.897 40 0 GHABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1)C1CCCC1 ZINC000012089238 204371584 /nfs/dbraw/zinc/37/15/84/204371584.db2.gz ROSVHNIZALBHPU-MOPGFXCFSA-N 1 0 384.549 3.798 40 0 GHABRO CCn1c2ccc(C[N@@H+](Cc3sccc3C)C[C@@H](C)O)cc2n(CC)c1=O ZINC000012185489 204379018 /nfs/dbraw/zinc/37/90/18/204379018.db2.gz BTRULNSONGKSMJ-MRXNPFEDSA-N 1 0 387.549 3.596 40 0 GHABRO O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000012201005 204383017 /nfs/dbraw/zinc/38/30/17/204383017.db2.gz SQTRFFVAJWOCSY-NRFANRHFSA-N 1 0 395.478 3.519 40 0 GHABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000012238258 204385988 /nfs/dbraw/zinc/38/59/88/204385988.db2.gz VLOAEDKCMNHZDN-UHFFFAOYSA-N 1 0 397.494 3.757 40 0 GHABRO COc1ccccc1/C=C/C[NH+]1CCC(NC(C)=O)(c2ccccc2F)CC1 ZINC000012293078 204389619 /nfs/dbraw/zinc/38/96/19/204389619.db2.gz XSUDAZZUNFHDOO-VQHVLOKHSA-N 1 0 382.479 3.975 40 0 GHABRO COc1ccc2c(C[NH+]3CCC(NC(C)=O)(c4ccccc4F)CC3)c[nH]c2c1 ZINC000012328830 204398186 /nfs/dbraw/zinc/39/81/86/204398186.db2.gz TUVYXDWRFCXPFH-UHFFFAOYSA-N 1 0 395.478 3.943 40 0 GHABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000012344415 204398996 /nfs/dbraw/zinc/39/89/96/204398996.db2.gz MTVYEMUHYHOENI-UHFFFAOYSA-N 1 0 392.478 3.639 40 0 GHABRO OCCN(CCO)c1cc(/C=C/c2ccnc3ccccc23)[nH+]c2ccccc21 ZINC000017121637 204607241 /nfs/dbraw/zinc/60/72/41/204607241.db2.gz PBITVDKBJBITDD-MDZDMXLPSA-N 1 0 385.467 3.744 40 0 GHABRO C[C@H]1CCCN(c2cc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)ccn2)C1 ZINC000019496618 204645081 /nfs/dbraw/zinc/64/50/81/204645081.db2.gz CHOLBNBCTWXMEK-PZJWPPBQSA-N 1 0 384.568 3.799 40 0 GHABRO COc1cc2[nH]c(C(=O)N3CCC([NH+]4CCC(C)CC4)CC3)cc2c(OC)c1 ZINC000019496836 204645693 /nfs/dbraw/zinc/64/56/93/204645693.db2.gz YTWPZLYEHJDGBR-UHFFFAOYSA-N 1 0 385.508 3.522 40 0 GHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1sc(C)nc1C)Cc1ccccc1O2 ZINC000019560185 204655824 /nfs/dbraw/zinc/65/58/24/204655824.db2.gz OYWZESHIMGYTTL-UHFFFAOYSA-N 1 0 385.533 3.696 40 0 GHABRO Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044852832 205088054 /nfs/dbraw/zinc/08/80/54/205088054.db2.gz DZYSEYKJUVIBOO-UYAOXDASSA-N 1 0 384.495 3.930 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072358186 205333951 /nfs/dbraw/zinc/33/39/51/205333951.db2.gz QXNNGLKUGZQYHO-HSZRJFAPSA-N 1 0 381.495 3.959 40 0 GHABRO CCC[NH+]1CCC(CNc2c(C)c(C)nc3cc(C4CCOCC4)nn32)CC1 ZINC000072337434 205328261 /nfs/dbraw/zinc/32/82/61/205328261.db2.gz KIQSJDFEVZVDIJ-UHFFFAOYSA-N 1 0 385.556 3.774 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000072350374 205330565 /nfs/dbraw/zinc/33/05/65/205330565.db2.gz UPVNLASLZHYCFK-IBGZPJMESA-N 1 0 381.495 3.936 40 0 GHABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+]3C3CCN(C(C)=O)CC3)n2)c1 ZINC000072358193 205334734 /nfs/dbraw/zinc/33/47/34/205334734.db2.gz IJNCOYDFXKVQTM-DEOSSOPVSA-N 1 0 393.531 3.829 40 0 GHABRO CC(=O)Nc1ccc(Oc2nccnc2C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000072362858 205335648 /nfs/dbraw/zinc/33/56/48/205335648.db2.gz WBHMAXQFWFOJSN-UHFFFAOYSA-N 1 0 396.491 3.586 40 0 GHABRO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000224028509 206010527 /nfs/dbraw/zinc/01/05/27/206010527.db2.gz FAAZTNLLHBDKTO-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO O[C@]1(c2ccc3c(c2)OCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 ZINC000027525129 206012173 /nfs/dbraw/zinc/01/21/73/206012173.db2.gz XNRYJGGCRCGSGW-NRFANRHFSA-N 1 0 385.871 3.719 40 0 GHABRO CSc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224664882 206024794 /nfs/dbraw/zinc/02/47/94/206024794.db2.gz ZXQBUURYJJDFDJ-UHFFFAOYSA-N 1 0 390.574 3.873 40 0 GHABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2cccnc12 ZINC000225732381 206070348 /nfs/dbraw/zinc/07/03/48/206070348.db2.gz VODKAACKBDCRNE-HOTGVXAUSA-N 1 0 386.565 3.898 40 0 GHABRO Cc1cc(C(=O)N2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)sc1C ZINC000248092798 206135744 /nfs/dbraw/zinc/13/57/44/206135744.db2.gz WAQCPIUIHVHIMI-GOSISDBHSA-N 1 0 376.566 3.576 40 0 GHABRO Cc1nonc1C(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257321077 206178357 /nfs/dbraw/zinc/17/83/57/206178357.db2.gz VZZUWAAAHQUKAV-HNNXBMFYSA-N 1 0 395.438 3.984 40 0 GHABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257305873 206175843 /nfs/dbraw/zinc/17/58/43/206175843.db2.gz SRXBDFRJFRUKPW-SFHVURJKSA-N 1 0 385.483 3.596 40 0 GHABRO COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH+](Cc4c[nH]cn4)CC3)CO[C@H]21 ZINC000257234954 206164464 /nfs/dbraw/zinc/16/44/64/206164464.db2.gz GVTUOPJHNZCOOZ-PZJWPPBQSA-N 1 0 397.519 3.949 40 0 GHABRO CC(C)[NH+]1CCC(Cc2nccnc2N2C(=O)OC[C@H]2Cc2ccccc2)CC1 ZINC000257261012 206168387 /nfs/dbraw/zinc/16/83/87/206168387.db2.gz LFKDJVNRVCAVKK-HXUWFJFHSA-N 1 0 394.519 3.707 40 0 GHABRO CC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000257272717 206169429 /nfs/dbraw/zinc/16/94/29/206169429.db2.gz NDNJEVSSXLORIF-UHFFFAOYSA-N 1 0 399.510 3.771 40 0 GHABRO CNC(=O)c1sc2nc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)ccc2c1N ZINC000257272480 206169886 /nfs/dbraw/zinc/16/98/86/206169886.db2.gz NCOIKCLSPAQBKB-INIZCTEOSA-N 1 0 384.480 3.714 40 0 GHABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@]2(C1)CC=CCN(C)C2=O ZINC000257311501 206178781 /nfs/dbraw/zinc/17/87/81/206178781.db2.gz UJTQDOZBSYTMEK-QHCPKHFHSA-N 1 0 396.510 3.629 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)cc1 ZINC000306124527 206197791 /nfs/dbraw/zinc/19/77/91/206197791.db2.gz BSTPALZEQXEODV-DHIUTWEWSA-N 1 0 387.483 3.578 40 0 GHABRO c1csc(C[NH+]2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)c1 ZINC000306131860 206201067 /nfs/dbraw/zinc/20/10/67/206201067.db2.gz KRHVIOBUYZADSS-UHFFFAOYSA-N 1 0 376.489 3.787 40 0 GHABRO CC(C)Cn1cnc2c1C1(CC[NH+](Cc3cnn(C)c3)CC1)Oc1ccccc1-2 ZINC000306131973 206201572 /nfs/dbraw/zinc/20/15/72/206201572.db2.gz KUFQAIMTWOOGOP-UHFFFAOYSA-N 1 0 391.519 3.823 40 0 GHABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306136617 206203243 /nfs/dbraw/zinc/20/32/43/206203243.db2.gz PYLFAUBEWBXDDF-SFHVURJKSA-N 1 0 379.483 3.848 40 0 GHABRO CC[NH+]1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2N)CC1 ZINC000072229221 136167632 /nfs/dbraw/zinc/16/76/32/136167632.db2.gz QZBUSUBJXAMUGG-UHFFFAOYSA-N 1 0 393.318 3.970 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccccc2)n1 ZINC000328996669 570211174 /nfs/dbraw/zinc/21/11/74/570211174.db2.gz JLFQCYWCVWHKAK-UHFFFAOYSA-N 1 0 399.901 3.887 40 0 GHABRO CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)NCc4cccc(F)c4)cn32)CC1 ZINC000096156086 570216628 /nfs/dbraw/zinc/21/66/28/570216628.db2.gz WSHPLVSWNZDYJC-UHFFFAOYSA-N 1 0 394.494 3.539 40 0 GHABRO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(C)c(C)c1)C[N@@H+]2Cc1ccccc1 ZINC000585262548 570230446 /nfs/dbraw/zinc/23/04/46/570230446.db2.gz QNIBWPXUTIRQBV-WXFUMESZSA-N 1 0 392.543 3.766 40 0 GHABRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1C ZINC000585285171 570254247 /nfs/dbraw/zinc/25/42/47/570254247.db2.gz OTKKCNKYIFOCNJ-LJQANCHMSA-N 1 0 380.488 3.704 40 0 GHABRO COc1ccc(CCC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000100750341 570276643 /nfs/dbraw/zinc/27/66/43/570276643.db2.gz VGYUHDNCHVUIEE-YYDVJCTNSA-N 1 0 381.520 3.645 40 0 GHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccnc1 ZINC000022913683 570334257 /nfs/dbraw/zinc/33/42/57/570334257.db2.gz VUBVPOOFDQJBAA-HSZRJFAPSA-N 1 0 393.510 3.893 40 0 GHABRO OCCN1CC[NH+](CC/C=C2/c3ccccc3COc3ccc(Cl)cc32)CC1 ZINC000023477086 570363253 /nfs/dbraw/zinc/36/32/53/570363253.db2.gz RAAHIUIRJUOMAU-MPUCSWFWSA-N 1 0 398.934 3.664 40 0 in-man GHABRO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000025227046 570408672 /nfs/dbraw/zinc/40/86/72/570408672.db2.gz VSTKDCGAQXBUQL-OAQYLSRUSA-N 1 0 376.500 3.710 40 0 GHABRO Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000004895322 570637128 /nfs/dbraw/zinc/63/71/28/570637128.db2.gz VESOLRAUSROZDB-UHFFFAOYSA-N 1 0 377.492 3.632 40 0 GHABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cc(OC)cc(OC)c2)C3)cc1 ZINC000012361629 570645762 /nfs/dbraw/zinc/64/57/62/570645762.db2.gz RUMSCJGFQBWRAG-VXMMSVGHSA-N 1 0 397.515 3.832 40 0 GHABRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013676590 570772199 /nfs/dbraw/zinc/77/21/99/570772199.db2.gz HGSIMIKVWUOIQA-KBPBESRZSA-N 1 0 393.380 3.781 40 0 GHABRO O=C(C1CC1)N1CCCc2cc([C@H](O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC000012326679 570805966 /nfs/dbraw/zinc/80/59/66/570805966.db2.gz FCLGTCLZAQCHJG-AMHTUMDSSA-N 1 0 382.548 3.921 40 0 GHABRO Fc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019347821 570925400 /nfs/dbraw/zinc/92/54/00/570925400.db2.gz LRGABEBUMZHZBE-NRFANRHFSA-N 1 0 398.530 3.577 40 0 GHABRO C[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000226258640 570935236 /nfs/dbraw/zinc/93/52/36/570935236.db2.gz RXQXROLDNWYKRE-UHFFFAOYSA-N 1 0 386.499 3.940 40 0 GHABRO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020139918 570941996 /nfs/dbraw/zinc/94/19/96/570941996.db2.gz WWKVORDRSPNWKS-OAQYLSRUSA-N 1 0 396.583 3.858 40 0 GHABRO Fc1cc(CNc2ncnc3c2cnn3C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000228922593 570951486 /nfs/dbraw/zinc/95/14/86/570951486.db2.gz LCRHEOUXEICWNF-UHFFFAOYSA-N 1 0 394.376 3.521 40 0 GHABRO O=C(NCC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019339094 570976689 /nfs/dbraw/zinc/97/66/89/570976689.db2.gz NHFMQUVJRHNPIZ-IBGZPJMESA-N 1 0 382.508 3.759 40 0 GHABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000019369042 570980065 /nfs/dbraw/zinc/98/00/65/570980065.db2.gz OMUYDJZYUGVSLD-WOJBJXKFSA-N 1 0 392.528 3.921 40 0 GHABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000019450828 570985634 /nfs/dbraw/zinc/98/56/34/570985634.db2.gz AJEWUXJDSUUWQO-QHCPKHFHSA-N 1 0 381.520 3.958 40 0 GHABRO COc1ccc(Nc2ncccc2C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000019496563 570989469 /nfs/dbraw/zinc/98/94/69/570989469.db2.gz MKKZKFCMBPPWDV-KRWDZBQOSA-N 1 0 382.508 3.686 40 0 GHABRO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000019527061 570997606 /nfs/dbraw/zinc/99/76/06/570997606.db2.gz KEFZYLXLEQVKFH-UHFFFAOYSA-N 1 0 392.507 3.595 40 0 GHABRO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCC[N@H+](CC2CC2)C1 ZINC000019530017 570998474 /nfs/dbraw/zinc/99/84/74/570998474.db2.gz HUWJZHSGLWBATD-HTAPYJJXSA-N 1 0 388.483 3.764 40 0 GHABRO COc1cccc(OC)c1C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019589272 571016245 /nfs/dbraw/zinc/01/62/45/571016245.db2.gz CYMMFFVLLFEMER-KKLQWCBXSA-N 1 0 384.495 3.905 40 0 GHABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)Cc1cccnc1 ZINC000019590811 571018754 /nfs/dbraw/zinc/01/87/54/571018754.db2.gz AIFLDNJAPIZZTA-XJUOHMSHSA-N 1 0 381.495 3.632 40 0 GHABRO COCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1 ZINC000019593547 571019615 /nfs/dbraw/zinc/01/96/15/571019615.db2.gz MWUYBMDKSSXSKZ-LJQANCHMSA-N 1 0 393.487 3.584 40 0 GHABRO Cc1noc2nc(C)cc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)c12 ZINC000019715848 571037941 /nfs/dbraw/zinc/03/79/41/571037941.db2.gz WXYDYVHBUVPABH-UHFFFAOYSA-N 1 0 394.475 3.957 40 0 GHABRO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cccc(CN2CCCC2=O)c1 ZINC000019717214 571039398 /nfs/dbraw/zinc/03/93/98/571039398.db2.gz HVXHSTMVYQAMGY-UHFFFAOYSA-N 1 0 377.488 3.657 40 0 GHABRO O=S(=O)(Cc1ccccc1)N1CCC[C@@]2(CCC[N@@H+]2CC2CCCC2)C1 ZINC000096071351 571098563 /nfs/dbraw/zinc/09/85/63/571098563.db2.gz DSTWWHGAHXUMFU-NRFANRHFSA-N 1 0 376.566 3.637 40 0 GHABRO COc1ccccc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712606 856425826 /nfs/dbraw/zinc/42/58/26/856425826.db2.gz MOWVZXXCZLXEQA-MZKRTTBSSA-N 1 0 382.479 3.861 40 0 GHABRO CNc1cc(CN(C)Cc2ccc(-c3ccccn3)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760056 856427931 /nfs/dbraw/zinc/42/79/31/856427931.db2.gz UTBIWTFHLWZLSE-OAQYLSRUSA-N 1 0 388.519 3.637 40 0 GHABRO C[C@H]1CCCN(c2cc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)ccn2)C1 ZINC000253603248 871895745 /nfs/dbraw/zinc/89/57/45/871895745.db2.gz CHOLBNBCTWXMEK-FPOVZHCZSA-N 1 0 384.568 3.799 40 0 GHABRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)ccc1O ZINC000247900953 880082682 /nfs/dbraw/zinc/08/26/82/880082682.db2.gz QLSDPSXDBKELMS-GEQKSPFYSA-N 1 0 383.488 3.529 40 0 GHABRO OCCOCCOCC[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000004217313 204032971 /nfs/dbraw/zinc/03/29/71/204032971.db2.gz SCMPXORBOTWFTI-UHFFFAOYSA-N 1 0 381.516 3.610 40 0 in-man GHABRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000005941821 204158412 /nfs/dbraw/zinc/15/84/12/204158412.db2.gz ZOAOWHPGYZFBSH-HSZRJFAPSA-N 1 0 387.479 3.740 40 0 GHABRO Cn1ccc(-c2cc(C(=O)NC(C)(C)C[NH+]3CCCCC3)c3ccccc3n2)n1 ZINC000035316625 204168148 /nfs/dbraw/zinc/16/81/48/204168148.db2.gz VQGGJMXENFUDFE-UHFFFAOYSA-N 1 0 391.519 3.630 40 0 GHABRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)CC1 ZINC000006517637 204183082 /nfs/dbraw/zinc/18/30/82/204183082.db2.gz UJRXZIJMDFPHKR-UHFFFAOYSA-N 1 0 381.520 3.969 40 0 GHABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000012089234 204371236 /nfs/dbraw/zinc/37/12/36/204371236.db2.gz FRVOJLFGVAITKY-MOPGFXCFSA-N 1 0 384.549 3.798 40 0 GHABRO FC(F)(F)c1cc([C@@H]2C[N@H+](CC3=CCCOC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129200 204373881 /nfs/dbraw/zinc/37/38/81/204373881.db2.gz CSVPVABGJATWGG-DLBZAZTESA-N 1 0 377.410 3.958 40 0 GHABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cnn3cccnc23)cc1 ZINC000012182144 204378673 /nfs/dbraw/zinc/37/86/73/204378673.db2.gz LXRSIIATOJFJAP-WMZOPIPTSA-N 1 0 377.492 3.502 40 0 GHABRO CCc1cc(C(F)(F)F)n2nc(C3CC[NH+](C[C@H]4CCOC4)CC3)cc2n1 ZINC000012160597 204378774 /nfs/dbraw/zinc/37/87/74/204378774.db2.gz PIXLKHSBZOBUEV-CYBMUJFWSA-N 1 0 382.430 3.526 40 0 GHABRO CCn1c2ccc(C[N@@H+](Cc3ccc(C)s3)C[C@@H](C)O)cc2n(CC)c1=O ZINC000012185884 204379696 /nfs/dbraw/zinc/37/96/96/204379696.db2.gz XLYFEQMMVSBHCI-OAHLLOKOSA-N 1 0 387.549 3.596 40 0 GHABRO COc1cc(CN2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc(OC)c1OC ZINC000012252315 204387855 /nfs/dbraw/zinc/38/78/55/204387855.db2.gz JVIBUCSPUGWKAZ-QIDMFYOTSA-N 1 0 388.552 3.799 40 0 GHABRO COc1cccc([C@@H](O)C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012292517 204388956 /nfs/dbraw/zinc/38/89/56/204388956.db2.gz BLHAWXNGVAHDFH-IBGZPJMESA-N 1 0 395.421 3.731 40 0 GHABRO C[NH+](C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(Br)cc1CO ZINC000021986079 204771941 /nfs/dbraw/zinc/77/19/41/204771941.db2.gz FIXQPYBPVRAVND-IBGZPJMESA-N 1 0 396.300 3.658 40 0 GHABRO Cc1cccc(C)c1NC(=O)c1ccc(CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000032117651 204910847 /nfs/dbraw/zinc/91/08/47/204910847.db2.gz KHMMFPCRVOKZPC-UHFFFAOYSA-N 1 0 379.489 3.802 40 0 GHABRO CCn1ncc(-c2cc(C(F)F)nc(N[C@H](C)C[NH+]3CCCCC3)n2)c1C ZINC000036613723 205017662 /nfs/dbraw/zinc/01/76/62/205017662.db2.gz XIGDUSVNHGZGDK-CYBMUJFWSA-N 1 0 378.471 3.892 40 0 GHABRO COc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000044851782 205087859 /nfs/dbraw/zinc/08/78/59/205087859.db2.gz FCKHDLDCYFMWJB-UHFFFAOYSA-N 1 0 382.504 3.662 40 0 GHABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000044911487 205090392 /nfs/dbraw/zinc/09/03/92/205090392.db2.gz GRSIPYDOEIDOMO-UHFFFAOYSA-N 1 0 384.451 3.853 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3nccnc3Oc3ccc(C)cc3)C2)CC1 ZINC000072363022 205336183 /nfs/dbraw/zinc/33/61/83/205336183.db2.gz GBAWDYWPHGJTRK-IBGZPJMESA-N 1 0 394.519 3.768 40 0 GHABRO Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@@H]2CCCC[NH2+]2)C1 ZINC000072374074 205337755 /nfs/dbraw/zinc/33/77/55/205337755.db2.gz MQAZUFCZZHJSOT-NRFANRHFSA-N 1 0 391.494 3.915 40 0 GHABRO CCN(CC)C(=O)C[NH+]1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 ZINC000072374168 205338013 /nfs/dbraw/zinc/33/80/13/205338013.db2.gz USOUUKWNVGOAFI-UHFFFAOYSA-N 1 0 381.524 3.576 40 0 GHABRO CCc1cc(-c2cc(NC[C@@H](c3ccc(C)cc3)[NH+](C)C)nc(C)n2)n(C)n1 ZINC000072373248 205338421 /nfs/dbraw/zinc/33/84/21/205338421.db2.gz CECXBWDOXQRZQR-NRFANRHFSA-N 1 0 378.524 3.771 40 0 GHABRO CCCS(=O)(=O)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242458 205548494 /nfs/dbraw/zinc/54/84/94/205548494.db2.gz AGOKPEQIBNIKLY-UHFFFAOYSA-N 1 0 390.593 3.766 40 0 GHABRO S=C(NCCc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004886056 205755260 /nfs/dbraw/zinc/75/52/60/205755260.db2.gz VDNMALJFIDGEGE-FRIKZZABSA-N 1 0 379.573 3.889 40 0 GHABRO Cc1cc(C)cc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224106455 206013474 /nfs/dbraw/zinc/01/34/74/206013474.db2.gz BDLPSAYGNNUGME-FQEVSTJZSA-N 1 0 384.495 3.850 40 0 GHABRO COc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224671528 206026454 /nfs/dbraw/zinc/02/64/54/206026454.db2.gz ATAZBRXHXWIHHO-SFHVURJKSA-N 1 0 382.504 3.765 40 0 GHABRO S=C(NCCC[NH+]1CCCC1)Nc1ccc(Br)c(Cl)c1 ZINC000225433641 206047096 /nfs/dbraw/zinc/04/70/96/206047096.db2.gz DRVBAYUBVLRXTI-UHFFFAOYSA-N 1 0 376.751 3.875 40 0 GHABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000225737219 206070884 /nfs/dbraw/zinc/07/08/84/206070884.db2.gz HMILFIKTJITAEM-OAHLLOKOSA-N 1 0 377.554 3.580 40 0 GHABRO CN1CC[NH+](C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCCC2)CC1 ZINC000032501869 206090403 /nfs/dbraw/zinc/09/04/03/206090403.db2.gz HZHVXTDYWAXGSL-UHFFFAOYSA-N 1 0 384.351 3.674 40 0 GHABRO Cc1ncsc1-c1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[NH2+]2 ZINC000257212675 206159048 /nfs/dbraw/zinc/15/90/48/206159048.db2.gz CEMFHVIJSLAJGS-WGVRVLLMSA-N 1 0 382.533 3.649 40 0 GHABRO CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)[nH]n1 ZINC000257211581 206159255 /nfs/dbraw/zinc/15/92/55/206159255.db2.gz BZKJBTVSFGSHFH-IRLDBZIGSA-N 1 0 382.508 3.612 40 0 GHABRO CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CC[NH+](Cc4cc[nH]n4)CC3)C[C@@H]21 ZINC000257274845 206172240 /nfs/dbraw/zinc/17/22/40/206172240.db2.gz NMWMKWRZEGTIRW-AZUAARDMSA-N 1 0 383.492 3.646 40 0 GHABRO CNC(=O)c1sc2nc([C@@H]3CCCC[N@@H+]3Cc3cccc(C)n3)ccc2c1N ZINC000257332358 206180446 /nfs/dbraw/zinc/18/04/46/206180446.db2.gz XWYOURDVUQZKPR-KRWDZBQOSA-N 1 0 395.532 3.669 40 0 GHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccs3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306124226 206197628 /nfs/dbraw/zinc/19/76/28/206197628.db2.gz BJVXEPXYYFNYCE-KNQAVFIVSA-N 1 0 398.576 3.754 40 0 GHABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306130568 206200741 /nfs/dbraw/zinc/20/07/41/206200741.db2.gz JJWBKRWQHONUSQ-HXUWFJFHSA-N 1 0 384.487 3.874 40 0 GHABRO CCC(=O)N1Cc2sc(C(C)C)nc2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306133731 206201207 /nfs/dbraw/zinc/20/12/07/206201207.db2.gz MTXCDJINQKOUPD-UHFFFAOYSA-N 1 0 398.576 3.948 40 0 GHABRO Cc1cc(C)cc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(CC4CC4)nc23)c1 ZINC000306133581 206201399 /nfs/dbraw/zinc/20/13/99/206201399.db2.gz MQELGUMYNUMJNZ-UHFFFAOYSA-N 1 0 392.547 3.529 40 0 GHABRO CCc1ccc2[nH+]ccc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1 ZINC000065005473 206224780 /nfs/dbraw/zinc/22/47/80/206224780.db2.gz DVEPLGSNCGNZPJ-UHFFFAOYSA-N 1 0 397.500 3.562 40 0 GHABRO C[C@H]1CCCN(c2ncc(-c3cncn3Cc3ccccc3C[NH+](C)C)cn2)C1 ZINC000072391890 136169168 /nfs/dbraw/zinc/16/91/68/136169168.db2.gz FJYHZKOBKYUKSF-SFHVURJKSA-N 1 0 390.535 3.686 40 0 GHABRO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000514288724 560034099 /nfs/dbraw/zinc/03/40/99/560034099.db2.gz BAOXXMVGHAGGDW-CTNGQTDRSA-N 1 0 384.426 3.702 40 0 biogenic,in-vitro GHABRO O=c1ccc(-c2cccnc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](CCCc2ccccc2)C1 ZINC000003841909 560190289 /nfs/dbraw/zinc/19/02/89/560190289.db2.gz VZFCBVYURWHDTL-RBBKRZOGSA-N 1 0 385.511 3.962 40 0 biogenic,in-vitro GHABRO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000328979192 570210360 /nfs/dbraw/zinc/21/03/60/570210360.db2.gz GEHYWLSTUIMKLM-UHFFFAOYSA-N 1 0 395.938 3.975 40 0 GHABRO Cc1cc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)ccc1F ZINC000328981196 570210518 /nfs/dbraw/zinc/21/05/18/570210518.db2.gz GSTLMBWGPYIPSB-UHFFFAOYSA-N 1 0 380.471 3.515 40 0 GHABRO Cc1cnc(Nc2cccc(CC3CCN(C(=O)[C@@]4(C)CCC[NH2+]4)CC3)n2)s1 ZINC000585263275 570232005 /nfs/dbraw/zinc/23/20/05/570232005.db2.gz AEGJWMONHMZOIY-OAQYLSRUSA-N 1 0 399.564 3.513 40 0 GHABRO Cc1ccc(N2CC[NH+](CCCN3CCN(c4ccccc4C)CC3)CC2)cc1 ZINC000002022100 570272449 /nfs/dbraw/zinc/27/24/49/570272449.db2.gz AKNLXGXCSKQZRS-UHFFFAOYSA-N 1 0 392.591 3.638 40 0 GHABRO CO[C@H]1CC[C@H](C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)CC1 ZINC000100749219 570276417 /nfs/dbraw/zinc/27/64/17/570276417.db2.gz XKBNARBFDIVIGB-AAMVXILJSA-N 1 0 386.536 3.514 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC000105983285 570306169 /nfs/dbraw/zinc/30/61/69/570306169.db2.gz MIKSKFZKIUWBQP-DEOSSOPVSA-N 1 0 387.483 3.826 40 0 GHABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2c3cc(C)cnc3[nH]c2C2CC2)cc1 ZINC000057773788 570373663 /nfs/dbraw/zinc/37/36/63/570373663.db2.gz PGGQAIYTQMIECZ-KRWDZBQOSA-N 1 0 395.503 3.629 40 0 GHABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000013301128 570391484 /nfs/dbraw/zinc/39/14/84/570391484.db2.gz JMYQPHVQYYQNOG-NQBHXWOUSA-N 1 0 378.257 3.730 40 0 GHABRO [NH3+][C@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@@H]1CCCO1 ZINC000685938867 570398092 /nfs/dbraw/zinc/39/80/92/570398092.db2.gz PTBLQLIJUVBVLS-IRXDYDNUSA-N 1 0 391.265 3.686 40 0 GHABRO Cc1noc(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198655 570447247 /nfs/dbraw/zinc/44/72/47/570447247.db2.gz FNTZOFACFLKARG-KPYOPSEVSA-N 1 0 383.536 3.646 40 0 GHABRO Cc1ccc(N2CC[NH+](C[C@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000029589837 570476718 /nfs/dbraw/zinc/47/67/18/570476718.db2.gz LPYULKPFEZXRTH-QFIPXVFZSA-N 1 0 376.500 3.710 40 0 GHABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCc2ccccc2)CC1 ZINC000257286202 570488631 /nfs/dbraw/zinc/48/86/31/570488631.db2.gz PKSHOCYGWNCMNX-DEOSSOPVSA-N 1 0 396.531 3.561 40 0 GHABRO CCC(=O)N(CCC[NH+](C)C)c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000004186976 570622030 /nfs/dbraw/zinc/62/20/30/570622030.db2.gz XLKCZXTWMUKOPW-UHFFFAOYSA-N 1 0 377.510 3.522 40 0 GHABRO COc1ccc2c(C[N@@H+]3CCC[C@H]([C@@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 ZINC000012365811 570646785 /nfs/dbraw/zinc/64/67/85/570646785.db2.gz HCLQHOFIPIWWFT-MGPUTAFESA-N 1 0 398.532 3.722 40 0 GHABRO Cc1ccc(C2(C(=O)N3Cc4cc(C)ccc4OC[C@H]3C[NH+](C)C)CC2)cc1 ZINC000012406621 570654037 /nfs/dbraw/zinc/65/40/37/570654037.db2.gz RAFOZNOMTLAQQJ-OAQYLSRUSA-N 1 0 378.516 3.686 40 0 GHABRO CCOc1c(Br)cc(Br)cc1CNCCC[NH+](C)C ZINC000008253307 570765872 /nfs/dbraw/zinc/76/58/72/570765872.db2.gz KGBXJXFEEVGOCW-UHFFFAOYSA-N 1 0 394.151 3.652 40 0 GHABRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1 ZINC000008474293 570768979 /nfs/dbraw/zinc/76/89/79/570768979.db2.gz LGMSFSRTTWKWNE-UHFFFAOYSA-N 1 0 380.282 3.807 40 0 GHABRO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3cncs3)CC2)s1 ZINC000585100182 570923903 /nfs/dbraw/zinc/92/39/03/570923903.db2.gz HEVDGTBDBRXEDL-LJQANCHMSA-N 1 0 390.578 3.764 40 0 GHABRO CCC[C@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019501958 570927369 /nfs/dbraw/zinc/92/73/69/570927369.db2.gz KYIDZJIRUXDCMT-LJQANCHMSA-N 1 0 388.585 3.574 40 0 GHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000226259253 570935199 /nfs/dbraw/zinc/93/51/99/570935199.db2.gz AZVOVGPCCKFLTQ-UHFFFAOYSA-N 1 0 393.318 3.970 40 0 GHABRO Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020121775 570941528 /nfs/dbraw/zinc/94/15/28/570941528.db2.gz DEJFVJKGSUXMJK-JOCHJYFZSA-N 1 0 394.567 3.746 40 0 GHABRO O=C(Cc1cccc(Br)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000194774230 570944701 /nfs/dbraw/zinc/94/47/01/570944701.db2.gz LIMYVCRPYYVGPI-UHFFFAOYSA-N 1 0 387.321 3.904 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@H](c3ccc(OC)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)cc1 ZINC000019017753 570954550 /nfs/dbraw/zinc/95/45/50/570954550.db2.gz SJURLQDNBYFAHB-WXFUMESZSA-N 1 0 394.515 3.683 40 0 GHABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)[C@@H]32)cc1 ZINC000019019352 570954995 /nfs/dbraw/zinc/95/49/95/570954995.db2.gz HEBLBMMBALKCND-DNVJHFABSA-N 1 0 382.479 3.813 40 0 GHABRO COc1ccccc1/C=C/C[NH+]1CCC([C@@H](NC(C)=O)c2ccccn2)CC1 ZINC000019020420 570955462 /nfs/dbraw/zinc/95/54/62/570955462.db2.gz IIGDYEIWXITOIS-ISGGHPHESA-N 1 0 379.504 3.693 40 0 GHABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4cc5c(c(Cl)c4)OCO5)C[C@@H]32)nc1 ZINC000019216112 570961858 /nfs/dbraw/zinc/96/18/58/570961858.db2.gz WAGGVAWITOETMB-VWKPWSFCSA-N 1 0 386.879 3.502 40 0 GHABRO Cc1cccnc1[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000019237643 570967485 /nfs/dbraw/zinc/96/74/85/570967485.db2.gz BXDBZUKYNHNNNJ-HXUWFJFHSA-N 1 0 394.544 3.757 40 0 GHABRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)cc1 ZINC000019285535 570969306 /nfs/dbraw/zinc/96/93/06/570969306.db2.gz LYIPQNQPEPGDHB-VQTJNVASSA-N 1 0 393.462 3.609 40 0 GHABRO Cc1nccn1C[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000019287772 570970576 /nfs/dbraw/zinc/97/05/76/570970576.db2.gz XKNYMGMEDWPZFP-SFHVURJKSA-N 1 0 384.524 3.577 40 0 GHABRO Cn1nc(C2CC2)cc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019288837 570971040 /nfs/dbraw/zinc/97/10/40/570971040.db2.gz FBSNNVZPZQNBQP-KJXAQDMKSA-N 1 0 392.547 3.780 40 0 GHABRO NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019333522 570975589 /nfs/dbraw/zinc/97/55/89/570975589.db2.gz NNDLQSRRMIZMOX-JOCHJYFZSA-N 1 0 377.513 3.730 40 0 GHABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000019369046 570980204 /nfs/dbraw/zinc/98/02/04/570980204.db2.gz OMUYDJZYUGVSLD-VQTJNVASSA-N 1 0 392.528 3.921 40 0 GHABRO CCC[NH+]1CCC(C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)CC1 ZINC000019502597 570993503 /nfs/dbraw/zinc/99/35/03/570993503.db2.gz NFRTUYFFOKHBAR-SFHVURJKSA-N 1 0 376.472 3.764 40 0 GHABRO COc1ccc2cnc(C3CC[NH+](CC(=O)[C@@]4(C)CCCO4)CC3)cc2c1C ZINC000019582713 571014196 /nfs/dbraw/zinc/01/41/96/571014196.db2.gz RCTLHRHSXSROQP-HSZRJFAPSA-N 1 0 382.504 3.869 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1OC ZINC000019589294 571016427 /nfs/dbraw/zinc/01/64/27/571016427.db2.gz DACBPNDIPSOHNI-KCZVDYSFSA-N 1 0 384.495 3.905 40 0 GHABRO COc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)c(OC)c1 ZINC000019589258 571016617 /nfs/dbraw/zinc/01/66/17/571016617.db2.gz XGXKDUCUZKPHDK-KCZVDYSFSA-N 1 0 398.478 3.545 40 0 GHABRO O=C1[C@H](C2CC[NH+](Cc3cccnc3)CC2)CC=CCN1Cc1ccccc1 ZINC000019695795 571030160 /nfs/dbraw/zinc/03/01/60/571030160.db2.gz NNGZJSZCSFUYEE-QHCPKHFHSA-N 1 0 375.516 3.899 40 0 GHABRO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009063205 856409881 /nfs/dbraw/zinc/40/98/81/856409881.db2.gz DEANZBCSKLCZOX-UHFFFAOYSA-N 1 0 386.923 3.920 40 0 GHABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000012119215 856419165 /nfs/dbraw/zinc/41/91/65/856419165.db2.gz XAGSJYHYDVUZIM-FUHWJXTLSA-N 1 0 394.471 3.839 40 0 GHABRO c1csc(-c2nc(N3CC[N@H+]4CCCC[C@H]4C3)ncc2-c2ccncc2)c1 ZINC000012338417 856419204 /nfs/dbraw/zinc/41/92/04/856419204.db2.gz ZIAUZBMIAMJAAV-KRWDZBQOSA-N 1 0 377.517 3.942 40 0 GHABRO CC[N@@H+]1CCC[C@](O)(c2nc(C)c(CCOc3ccc(F)cc3)s2)CC1 ZINC000019705455 856425141 /nfs/dbraw/zinc/42/51/41/856425141.db2.gz QMRNKDYWPKQTBP-HXUWFJFHSA-N 1 0 378.513 3.906 40 0 GHABRO COc1cccc(CC(=O)N2CCCCC[C@H]3[NH2+][C@H](Cc4ccccc4)C[C@@H]32)c1 ZINC000019712937 856427646 /nfs/dbraw/zinc/42/76/46/856427646.db2.gz JMXQKVSBLBYBSZ-JRFVFWCSSA-N 1 0 392.543 3.982 40 0 GHABRO CCn1ccnc1C[N@@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713432 856428328 /nfs/dbraw/zinc/42/83/28/856428328.db2.gz AQEQTBULTCHAAS-NFBKMPQASA-N 1 0 398.526 3.978 40 0 GHABRO Cc1nc(-c2cccs2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)C2CCC2)n1 ZINC000015672544 1021289220 /nfs/dbraw/zinc/28/92/20/1021289220.db2.gz JUTGXTWSPQZEAA-KSZLIROESA-N 1 0 396.560 3.608 40 0 biogenic,in-vitro GHABRO C[NH+](C)CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004706236 204066978 /nfs/dbraw/zinc/06/69/78/204066978.db2.gz PPMFMAOFTZHACB-LQPOTRJCSA-N 1 0 389.580 3.562 40 0 in-vitro GHABRO CCCN1c2ccccc2C(=O)N(CCC[NH+](C)C)c2cc(OC)ccc2C1=O ZINC000005430867 204132408 /nfs/dbraw/zinc/13/24/08/204132408.db2.gz VYURPJHOLULQSD-UHFFFAOYSA-N 1 0 395.503 3.664 40 0 GHABRO CCn1c2ccc(C[N@H+](C)Cc3cc(=O)[nH]c4ccccc34)cc2n(CC)c1=O ZINC000012188472 204379919 /nfs/dbraw/zinc/37/99/19/204379919.db2.gz GLPUIZPKHYRIGO-UHFFFAOYSA-N 1 0 390.487 3.729 40 0 GHABRO COc1ccc(C(C)(C)C)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000012219943 204383983 /nfs/dbraw/zinc/38/39/83/204383983.db2.gz SGOFMINJDSUTOI-VXMMSVGHSA-N 1 0 397.563 3.846 40 0 GHABRO COc1ccc(C[NH+]2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1OC ZINC000012220558 204384585 /nfs/dbraw/zinc/38/45/85/204384585.db2.gz DVCNUDPDGRIJFP-UHFFFAOYSA-N 1 0 397.519 3.681 40 0 GHABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330223 204398151 /nfs/dbraw/zinc/39/81/51/204398151.db2.gz XEBGHOWCYQJQCG-GOTSBHOMSA-N 1 0 393.527 3.868 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000012344351 204399032 /nfs/dbraw/zinc/39/90/32/204399032.db2.gz LWDXEFOBWXHWEP-UHFFFAOYSA-N 1 0 385.504 3.975 40 0 GHABRO O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038853687 205041048 /nfs/dbraw/zinc/04/10/48/205041048.db2.gz JXDRVOSZGMXRFX-MRXNPFEDSA-N 1 0 386.879 3.962 40 0 GHABRO COc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044907045 205089987 /nfs/dbraw/zinc/08/99/87/205089987.db2.gz RMCSYEBZAPRLRB-HXUWFJFHSA-N 1 0 384.495 3.795 40 0 GHABRO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057137738 205155562 /nfs/dbraw/zinc/15/55/62/205155562.db2.gz JZCIOWFIFGXGEY-KRWDZBQOSA-N 1 0 382.504 3.793 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2cnc(-c3ccccc3C)nc2)CC1 ZINC000057822802 205160317 /nfs/dbraw/zinc/16/03/17/205160317.db2.gz GNZQYTVHJMFHQH-UHFFFAOYSA-N 1 0 389.499 3.944 40 0 GHABRO COc1cccc(-c2cccc([C@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)n2)c1 ZINC000072349728 205330497 /nfs/dbraw/zinc/33/04/97/205330497.db2.gz ACIQWJXBBVHIQU-IBGZPJMESA-N 1 0 379.504 3.559 40 0 GHABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358585 205334692 /nfs/dbraw/zinc/33/46/92/205334692.db2.gz MMRSSKIXSTZWMV-HXUWFJFHSA-N 1 0 387.487 3.877 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cncc(Oc4cccc(C)c4)n3)C2)CC1 ZINC000072363024 205335134 /nfs/dbraw/zinc/33/51/34/205335134.db2.gz VSCIMMOSBYPWGW-IBGZPJMESA-N 1 0 394.519 3.768 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)cn1 ZINC000072384327 205339437 /nfs/dbraw/zinc/33/94/37/205339437.db2.gz JAYIYXZRBGVGGB-SFHVURJKSA-N 1 0 378.480 3.568 40 0 GHABRO O=c1oc2ccccc2c(NCc2ccc3c(c2)OCO3)c1C[NH+]1CCCC1 ZINC000016525264 205436283 /nfs/dbraw/zinc/43/62/83/205436283.db2.gz AWKTUVOZZKOFLW-UHFFFAOYSA-N 1 0 378.428 3.730 40 0 GHABRO COc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000224331801 206019472 /nfs/dbraw/zinc/01/94/72/206019472.db2.gz WVYTXSQDNILTSL-UHFFFAOYSA-N 1 0 382.504 3.736 40 0 GHABRO C[C@@H](Oc1ccccc1Br)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000027974881 206021962 /nfs/dbraw/zinc/02/19/62/206021962.db2.gz IGEUFKDJQDDACR-GFCCVEGCSA-N 1 0 383.330 3.642 40 0 GHABRO COc1cccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224682198 206026378 /nfs/dbraw/zinc/02/63/78/206026378.db2.gz FTIHDNCFJCEGIP-SFHVURJKSA-N 1 0 382.504 3.765 40 0 GHABRO O=C(COc1ccc2c(c1)CCCC2)NCc1ccccc1C[NH+]1CCCC1 ZINC000224801560 206027687 /nfs/dbraw/zinc/02/76/87/206027687.db2.gz FDIWTOKXNLQDNT-UHFFFAOYSA-N 1 0 378.516 3.856 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC000225500152 206052528 /nfs/dbraw/zinc/05/25/28/206052528.db2.gz HTOHWIBVKYQSRW-LJQANCHMSA-N 1 0 390.549 3.781 40 0 GHABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225730036 206071545 /nfs/dbraw/zinc/07/15/45/206071545.db2.gz AZRGLOVDEHRBBK-HZPDHXFCSA-N 1 0 391.581 3.826 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C(=O)OC)c1C ZINC000225582194 206058738 /nfs/dbraw/zinc/05/87/38/206058738.db2.gz WEEUCHCECHLNQC-MRXNPFEDSA-N 1 0 377.554 3.723 40 0 GHABRO CNC(=O)c1sc2nccnc2c1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000257200903 206157396 /nfs/dbraw/zinc/15/73/96/206157396.db2.gz AFHMANUZFXAULU-UHFFFAOYSA-N 1 0 384.480 3.570 40 0 GHABRO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)[nH]n1 ZINC000257225270 206162181 /nfs/dbraw/zinc/16/21/81/206162181.db2.gz FFNZFEFEDISNSU-UOWZYWDASA-N 1 0 392.547 3.890 40 0 GHABRO Cc1nc([C@@H]2CC[N@@H+](C(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1F ZINC000257273270 206171875 /nfs/dbraw/zinc/17/18/75/206171875.db2.gz NFXKCDOPWYSNED-GOSISDBHSA-N 1 0 396.510 3.644 40 0 GHABRO C[N@@H+]1CCC[C@@H]2N(C(=O)c3cccc(Cc4ccccc4F)n3)CCC[C@@]21C ZINC000257225659 206162926 /nfs/dbraw/zinc/16/29/26/206162926.db2.gz FHFLZJJSSRRUEC-GMAHTHKFSA-N 1 0 381.495 3.900 40 0 GHABRO C[C@@]12C[C@H]3CN(C(=O)c4cccc(Cc5cccc(F)c5)n4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257330939 206180307 /nfs/dbraw/zinc/18/03/07/206180307.db2.gz XQRWVZICLMFWOX-KZDDHRSZSA-N 1 0 393.506 3.947 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306143107 206207651 /nfs/dbraw/zinc/20/76/51/206207651.db2.gz XTIQFCLEPXALJV-WOJBJXKFSA-N 1 0 381.476 3.770 40 0 GHABRO COc1ccc(COc2ccc(C(=O)NCC[NH+]3CCCC3)c(Cl)c2)cc1 ZINC000306145185 206208491 /nfs/dbraw/zinc/20/84/91/206208491.db2.gz FEHMZBONFAYTRQ-UHFFFAOYSA-N 1 0 388.895 3.753 40 0 GHABRO CCc1ccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306126066 206197535 /nfs/dbraw/zinc/19/75/35/206197535.db2.gz DLHBNPKFNSWZHC-UHFFFAOYSA-N 1 0 391.519 3.537 40 0 GHABRO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH+](Cc2cnn(C)c2)CC1 ZINC000306126306 206197765 /nfs/dbraw/zinc/19/77/65/206197765.db2.gz DSCJIAHDOGGAPE-UHFFFAOYSA-N 1 0 377.492 3.748 40 0 GHABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccs4)C2)OC3)c1 ZINC000306123968 206197918 /nfs/dbraw/zinc/19/79/18/206197918.db2.gz BBTQWNPHZJZRMI-NRFANRHFSA-N 1 0 381.501 3.795 40 0 GHABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)s1 ZINC000306135472 206202907 /nfs/dbraw/zinc/20/29/07/206202907.db2.gz ORXZMWIGRJASHV-RTBURBONSA-N 1 0 398.557 3.704 40 0 GHABRO Cc1ccc(C)c(C[N@H+]2CC=C(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)c1 ZINC000072339528 136168486 /nfs/dbraw/zinc/16/84/86/136168486.db2.gz LLZQOMQJPBAAHU-UHFFFAOYSA-N 1 0 392.547 3.836 40 0 GHABRO C[C@H](CC[N@@H+]1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1)c1ccccc1 ZINC000072389556 136169245 /nfs/dbraw/zinc/16/92/45/136169245.db2.gz YWQDDJSFYAVFQZ-GOSISDBHSA-N 1 0 380.536 3.558 40 0 GHABRO Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000113969225 136192139 /nfs/dbraw/zinc/19/21/39/136192139.db2.gz VDBAAOPNGNKOHL-MRXNPFEDSA-N 1 0 387.911 3.806 40 0 GHABRO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113970835 536044111 /nfs/dbraw/zinc/04/41/11/536044111.db2.gz LNGHSMZYXBWAJW-QFIPXVFZSA-N 1 0 381.520 3.851 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)cc1 ZINC000049170177 560084674 /nfs/dbraw/zinc/08/46/74/560084674.db2.gz HZMIRBIRFGOUPU-SFHVURJKSA-N 1 0 378.476 3.801 40 0 biogenic,in-vitro GHABRO CCn1cnc2c1nc(N[C@@H]1CCCC[C@@H]1[NH3+])nc2Nc1cccc(Cl)c1 ZINC000002583998 560188317 /nfs/dbraw/zinc/18/83/17/560188317.db2.gz UTBSBSOBZHXMHI-LSDHHAIUSA-N 1 0 385.903 3.925 40 0 in-vitro GHABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccc(F)cc2)no1 ZINC000015673355 560230660 /nfs/dbraw/zinc/23/06/60/560230660.db2.gz XFDZVZJAAUZCHF-ROUUACIJSA-N 1 0 387.499 3.631 40 0 biogenic,in-vitro GHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[NH+](CCCc3ccccc3)C[C@@H]2C1 ZINC000096080948 570209844 /nfs/dbraw/zinc/20/98/44/570209844.db2.gz JTHNRDBHUACLLY-NHCUHLMSSA-N 1 0 382.935 3.906 40 0 GHABRO COCCC(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000096089448 570210446 /nfs/dbraw/zinc/21/04/46/570210446.db2.gz KONWXYNDVOHUEP-UHFFFAOYSA-N 1 0 378.516 3.815 40 0 GHABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763295 570217261 /nfs/dbraw/zinc/21/72/61/570217261.db2.gz BFRARNMHVGOGKO-LJQANCHMSA-N 1 0 396.510 3.930 40 0 GHABRO CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CC[N@H+](Cc1ccccc1)CC2 ZINC000096260471 570225857 /nfs/dbraw/zinc/22/58/57/570225857.db2.gz GMJNTWIZZJWBFV-UHFFFAOYSA-N 1 0 392.547 3.739 40 0 GHABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000585260828 570227842 /nfs/dbraw/zinc/22/78/42/570227842.db2.gz BZIIYOSLEVNLJN-HSZRJFAPSA-N 1 0 393.462 3.662 40 0 GHABRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC000585260810 570227960 /nfs/dbraw/zinc/22/79/60/570227960.db2.gz ZBYPQPXDRNYWAR-FGZHOGPDSA-N 1 0 396.531 3.712 40 0 GHABRO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)COC1CCCCC1 ZINC000585262525 570230542 /nfs/dbraw/zinc/23/05/42/570230542.db2.gz KRCQHOZYFUJNJQ-NRFANRHFSA-N 1 0 384.520 3.803 40 0 GHABRO Cc1cnc(Nc2cccc(C3CCN(C(=O)C4([NH3+])CCCCC4)CC3)n2)s1 ZINC000585263647 570231973 /nfs/dbraw/zinc/23/19/73/570231973.db2.gz XTIFUHORXZKWON-UHFFFAOYSA-N 1 0 399.564 3.958 40 0 GHABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@H](O)c3ccccc3)cc2)n1 ZINC000585270130 570238741 /nfs/dbraw/zinc/23/87/41/570238741.db2.gz GIOFIGLTJBYSAG-QHCPKHFHSA-N 1 0 379.504 3.744 40 0 GHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 ZINC000020110296 570240724 /nfs/dbraw/zinc/24/07/24/570240724.db2.gz MBRUZFDXYDJIHL-UHFFFAOYSA-N 1 0 381.520 3.613 40 0 GHABRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)c(C)c1 ZINC000585283081 570251163 /nfs/dbraw/zinc/25/11/63/570251163.db2.gz BMWLZFDHYBEACP-IBGZPJMESA-N 1 0 380.488 3.704 40 0 GHABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585286862 570256137 /nfs/dbraw/zinc/25/61/37/570256137.db2.gz JRLQAAIYCDRRCA-JLMWRMLUSA-N 1 0 379.516 3.873 40 0 GHABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)C[C@@H]3CC=CCC3)CC2)nn1C ZINC000100687630 570274647 /nfs/dbraw/zinc/27/46/47/570274647.db2.gz GNNXCBYQKMCCHR-NJYVYQBISA-N 1 0 386.584 3.960 40 0 GHABRO COc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1C ZINC000100750269 570276629 /nfs/dbraw/zinc/27/66/29/570276629.db2.gz XBCFNOYBBOKJMG-HFJQGTKSSA-N 1 0 381.520 3.564 40 0 GHABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023633525 570301011 /nfs/dbraw/zinc/30/10/11/570301011.db2.gz SSYBLIKKSQBNIM-RXVVDRJESA-N 1 0 386.511 3.901 40 0 GHABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)c1OC ZINC000022076078 570305363 /nfs/dbraw/zinc/30/53/63/570305363.db2.gz NGBUTBOLXGEAGG-MRXNPFEDSA-N 1 0 380.282 3.680 40 0 GHABRO Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746087 570310605 /nfs/dbraw/zinc/31/06/05/570310605.db2.gz LMMGCAKKQWYAKJ-YYWHXJBOSA-N 1 0 388.533 3.509 40 0 GHABRO Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746083 570310706 /nfs/dbraw/zinc/31/07/06/570310706.db2.gz LMMGCAKKQWYAKJ-DZFGPLHGSA-N 1 0 388.533 3.509 40 0 GHABRO C[C@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022075800 570321644 /nfs/dbraw/zinc/32/16/44/570321644.db2.gz UCWZKVMMNZEHNW-AWEZNQCLSA-N 1 0 383.319 3.632 40 0 GHABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000219207988 570349565 /nfs/dbraw/zinc/34/95/65/570349565.db2.gz NJXGTWSDYISXLE-UHFFFAOYSA-N 1 0 393.487 3.539 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223276698 570455178 /nfs/dbraw/zinc/45/51/78/570455178.db2.gz IEZTWTINSQGLHP-LEWJYISDSA-N 1 0 397.592 3.922 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000223283019 570455789 /nfs/dbraw/zinc/45/57/89/570455789.db2.gz PBVQOIQIKOCRSG-NHCUHLMSSA-N 1 0 392.528 3.876 40 0 GHABRO COc1ccccc1-n1c(=O)c2ccccc2nc1SCC[NH+]1CCCCC1 ZINC000000905610 570516358 /nfs/dbraw/zinc/51/63/58/570516358.db2.gz KMCFJQMXPHGZCA-UHFFFAOYSA-N 1 0 395.528 3.972 40 0 GHABRO COc1cccc(-n2c(=O)c3ccccc3nc2SCC[NH+]2CCCCC2)c1 ZINC000000920390 570537193 /nfs/dbraw/zinc/53/71/93/570537193.db2.gz MSTHPDXKLQFMEV-UHFFFAOYSA-N 1 0 395.528 3.972 40 0 GHABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)C[C@H]3CC=CCC3)CC2)nn1C ZINC000257233058 570892489 /nfs/dbraw/zinc/89/24/89/570892489.db2.gz GNNXCBYQKMCCHR-ACRUOGEOSA-N 1 0 386.584 3.960 40 0 GHABRO CCOC[C@@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218512759 570924394 /nfs/dbraw/zinc/92/43/94/570924394.db2.gz VUMLLWYHCNZSSR-UFYCRDLUSA-N 1 0 393.936 3.570 40 0 GHABRO CC(C)C[C@H](O)C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100400 570924812 /nfs/dbraw/zinc/92/48/12/570924812.db2.gz OWRHDWLJQHEVPC-RBBKRZOGSA-N 1 0 376.516 3.580 40 0 GHABRO O=C(CCc1ccc(Cl)cc1)N1CCC[C@@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585101804 570927561 /nfs/dbraw/zinc/92/75/61/570927561.db2.gz HKSXFUCULRDLJV-PZJWPPBQSA-N 1 0 376.928 3.519 40 0 GHABRO Cc1cnc2[nH]c(-c3cccs3)c(C[NH+]3CCC(N4CCOCC4)CC3)c2c1 ZINC000019124955 570957859 /nfs/dbraw/zinc/95/78/59/570957859.db2.gz KLCBQINPOKJCHO-UHFFFAOYSA-N 1 0 396.560 3.896 40 0 GHABRO O=C(c1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000019337845 570976426 /nfs/dbraw/zinc/97/64/26/570976426.db2.gz ZESCLCUFIRMKOA-FKBYEOEOSA-N 1 0 379.479 3.561 40 0 GHABRO Fc1ccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1F ZINC000019344953 570977725 /nfs/dbraw/zinc/97/77/25/570977725.db2.gz LTMYJVFLTFCUAN-CQSZACIVSA-N 1 0 375.448 3.592 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1)c1cccs1 ZINC000019401610 570982870 /nfs/dbraw/zinc/98/28/70/570982870.db2.gz MQAGNCNAZRSNQH-UTKZUKDTSA-N 1 0 392.528 3.921 40 0 GHABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C1 ZINC000019462576 570988768 /nfs/dbraw/zinc/98/87/68/570988768.db2.gz DFWHBCZURRWXHU-ZIAGYGMSSA-N 1 0 396.457 3.573 40 0 GHABRO CCc1noc(C)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019521256 570994431 /nfs/dbraw/zinc/99/44/31/570994431.db2.gz YLTGRYNVONIYHL-DSKINZAPSA-N 1 0 385.483 3.825 40 0 GHABRO Cc1nn(CC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@H+]3C)c(C)c1C ZINC000019556530 571003402 /nfs/dbraw/zinc/00/34/02/571003402.db2.gz WFKSFQQWIGZIOV-ZDXQCDESSA-N 1 0 394.563 3.677 40 0 GHABRO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000019559061 571004852 /nfs/dbraw/zinc/00/48/52/571004852.db2.gz GYMBLBAZMPCOFO-QWFCFKBJSA-N 1 0 388.870 3.848 40 0 GHABRO Cc1c(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cnn1C ZINC000019687408 571028647 /nfs/dbraw/zinc/02/86/47/571028647.db2.gz MIYIBCJQQWGUQS-HXUWFJFHSA-N 1 0 394.498 3.728 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21)NC1CC1 ZINC000096053016 571097601 /nfs/dbraw/zinc/09/76/01/571097601.db2.gz GINLOGZXYVHURZ-IBGZPJMESA-N 1 0 382.548 3.603 40 0 GHABRO Cc1nc(-c2cncnc2[C@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)no1 ZINC000019693703 856423721 /nfs/dbraw/zinc/42/37/21/856423721.db2.gz BDUKWROOQXUPEG-INIZCTEOSA-N 1 0 391.475 3.538 40 0 GHABRO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000253591091 871892388 /nfs/dbraw/zinc/89/23/88/871892388.db2.gz JCOVILCFVSITPQ-ZTNFWEORSA-N 1 0 398.551 3.583 40 0 GHABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]21 ZINC000247935201 880089938 /nfs/dbraw/zinc/08/99/38/880089938.db2.gz RWQSLEIHKWWOHZ-MRUHUIDDSA-N 1 0 386.879 3.502 40 0 GHABRO c1ccc2c3nc(-c4ccncc4)nn3c(SCC[NH+]3CCCCC3)nc2c1 ZINC000010157690 204331990 /nfs/dbraw/zinc/33/19/90/204331990.db2.gz JGEQKJIUAXCQMV-UHFFFAOYSA-N 1 0 390.516 3.918 40 0 GHABRO COc1cccc([C@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012292535 204388765 /nfs/dbraw/zinc/38/87/65/204388765.db2.gz IVUVIKNCDVJGHX-LJQANCHMSA-N 1 0 395.421 3.731 40 0 GHABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000012291384 204389016 /nfs/dbraw/zinc/38/90/16/204389016.db2.gz DHTNLHAXYWIZAL-HSZRJFAPSA-N 1 0 378.516 3.714 40 0 GHABRO O[C@@H](C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000012292385 204389092 /nfs/dbraw/zinc/38/90/92/204389092.db2.gz CRMSHVIQUFDNBL-SFHVURJKSA-N 1 0 383.385 3.862 40 0 GHABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000012293070 204389532 /nfs/dbraw/zinc/38/95/32/204389532.db2.gz XYJJCAFVXLVZMO-INIZCTEOSA-N 1 0 382.479 3.777 40 0 GHABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]Cc3ccc(C)cc3)cc12 ZINC000012290152 204389864 /nfs/dbraw/zinc/38/98/64/204389864.db2.gz WJTWAXQHUOUYHI-UHFFFAOYSA-N 1 0 376.435 3.760 40 0 GHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000038851255 205039853 /nfs/dbraw/zinc/03/98/53/205039853.db2.gz BUSYKZFZXQNJFY-LJQANCHMSA-N 1 0 399.485 3.526 40 0 GHABRO C[NH+]1CCC(N2CCOC[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)CC1 ZINC000072321970 205031612 /nfs/dbraw/zinc/03/16/12/205031612.db2.gz ZXTSFTURNLQBPS-SFHVURJKSA-N 1 0 394.441 3.563 40 0 biogenic,in-vitro GHABRO C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccnc2ccc(Cl)cc12 ZINC000057810279 205161663 /nfs/dbraw/zinc/16/16/63/205161663.db2.gz ACQAOSMWXURCCY-AWEZNQCLSA-N 1 0 384.863 4.000 40 0 GHABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358586 205334960 /nfs/dbraw/zinc/33/49/60/205334960.db2.gz MMRSSKIXSTZWMV-FQEVSTJZSA-N 1 0 387.487 3.877 40 0 GHABRO Cc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000072363247 205336101 /nfs/dbraw/zinc/33/61/01/205336101.db2.gz YUCMQQILWXIEBR-IBGZPJMESA-N 1 0 394.519 3.625 40 0 GHABRO COc1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4cnc(C)s4)C3)[nH]n2)c1 ZINC000072371791 205336348 /nfs/dbraw/zinc/33/63/48/205336348.db2.gz PPCLYNXJDLHBBV-INIZCTEOSA-N 1 0 398.532 3.794 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3nc(C)cc(Oc4ccc(F)cc4)n3)C2)CC1 ZINC000072384359 205339594 /nfs/dbraw/zinc/33/95/94/205339594.db2.gz YQIXQYHVARTHAI-QGZVFWFLSA-N 1 0 398.482 3.517 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000225436994 206048022 /nfs/dbraw/zinc/04/80/22/206048022.db2.gz CQFXWQKOPZRENH-UHFFFAOYSA-N 1 0 377.554 3.580 40 0 GHABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000225673642 206065790 /nfs/dbraw/zinc/06/57/90/206065790.db2.gz UKPJEMARIUFXKC-GOSISDBHSA-N 1 0 393.531 3.723 40 0 GHABRO COc1cccc(C[N@@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000096269018 206120486 /nfs/dbraw/zinc/12/04/86/206120486.db2.gz COZMEEJEUVWOFN-LJQANCHMSA-N 1 0 381.394 3.994 40 0 biogenic,in-vitro GHABRO COc1ccc(C[N@@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000096269017 206120577 /nfs/dbraw/zinc/12/05/77/206120577.db2.gz JUNGZYSBVRRGSH-LJQANCHMSA-N 1 0 381.394 3.994 40 0 biogenic,in-vitro GHABRO O=C(Nc1cc(CCC2CC[NH+](C3CCOCC3)CC2)ccn1)c1ccccn1 ZINC000257223433 206162721 /nfs/dbraw/zinc/16/27/21/206162721.db2.gz DXIRCKSXUOIUGY-UHFFFAOYSA-N 1 0 394.519 3.553 40 0 GHABRO CN(C)C(=O)c1sc2ncccc2c1C1CC[NH+](Cc2ccccn2)CC1 ZINC000257317443 206178048 /nfs/dbraw/zinc/17/80/48/206178048.db2.gz VJTRXTZXPVRYRR-UHFFFAOYSA-N 1 0 380.517 3.773 40 0 GHABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)COc1ccccc1)[C@@H]3Cc1ccccc1 ZINC000257256175 206167426 /nfs/dbraw/zinc/16/74/26/206167426.db2.gz KKJMKTFYSIRMGG-XRTSLUGZSA-N 1 0 390.527 3.808 40 0 GHABRO COc1ccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1C[NH+](C)C ZINC000257318669 206178130 /nfs/dbraw/zinc/17/81/30/206178130.db2.gz VOYLCFAHHOTYAH-AJCSZOCDSA-N 1 0 388.552 3.918 40 0 GHABRO Fc1ccccc1-c1cnc2nnc(C3CC[NH+](Cc4ccoc4)CC3)n2c1 ZINC000306123347 206195040 /nfs/dbraw/zinc/19/50/40/206195040.db2.gz AKPPWEPOEXEEKR-UHFFFAOYSA-N 1 0 377.423 3.903 40 0 GHABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4ccnnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257325236 206180130 /nfs/dbraw/zinc/18/01/30/206180130.db2.gz WSALVUGXWNVWQT-QMDPOKHVSA-N 1 0 390.531 3.565 40 0 GHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccsc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306139064 206205690 /nfs/dbraw/zinc/20/56/90/206205690.db2.gz SOJBMFGFNBFBSR-KNQAVFIVSA-N 1 0 398.576 3.754 40 0 GHABRO CN1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306142042 206206518 /nfs/dbraw/zinc/20/65/18/206206518.db2.gz WNOHFXBOGOQRKU-UHFFFAOYSA-N 1 0 385.562 3.505 40 0 GHABRO COc1ccc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306134058 206202346 /nfs/dbraw/zinc/20/23/46/206202346.db2.gz NCSUQYUOSZPOIV-UXHICEINSA-N 1 0 389.499 3.872 40 0 GHABRO COc1ncccc1C[N@@H+]1CC[C@@]2(CN(Cc3ccccc3)c3cccnc32)C1 ZINC000306135813 206204010 /nfs/dbraw/zinc/20/40/10/206204010.db2.gz PBUIMRCZGKDCMS-DEOSSOPVSA-N 1 0 386.499 3.649 40 0 GHABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)C[C@@H]2C=CCC2)CC1 ZINC000019288905 221405378 /nfs/dbraw/zinc/40/53/78/221405378.db2.gz YAPFCYBGHRXHTD-QGZVFWFLSA-N 1 0 396.510 3.663 40 0 GHABRO Cc1ccc(OCC[NH+]2CCCC2)c(NC(=O)c2cn3cccc(C)c3n2)c1 ZINC000019718793 570209990 /nfs/dbraw/zinc/20/99/90/570209990.db2.gz CNSGXAHUWMHYAI-UHFFFAOYSA-N 1 0 378.476 3.678 40 0 GHABRO CCn1c2ccc(-c3cncn3CC[N@H+](C)C3CCCC3)cc2n(CC)c1=O ZINC000019719646 570210539 /nfs/dbraw/zinc/21/05/39/570210539.db2.gz DRMKEEZPBFHOOY-UHFFFAOYSA-N 1 0 381.524 3.581 40 0 GHABRO CC(C)CCN1[C@@]2(CC[N@H+](Cc3ccccc3)C2)c2ccccc2S1(=O)=O ZINC000096143267 570213531 /nfs/dbraw/zinc/21/35/31/570213531.db2.gz HMKBRGNAVDKLCI-JOCHJYFZSA-N 1 0 384.545 3.838 40 0 GHABRO Brc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329054829 570215635 /nfs/dbraw/zinc/21/56/35/570215635.db2.gz VLVGUCMBLSZWGW-UHFFFAOYSA-N 1 0 387.325 3.927 40 0 GHABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763297 570217334 /nfs/dbraw/zinc/21/73/34/570217334.db2.gz BFRARNMHVGOGKO-IBGZPJMESA-N 1 0 396.510 3.930 40 0 GHABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCCC[N@@H+]3CC(C)C)nc2C)c1 ZINC000019764362 570217385 /nfs/dbraw/zinc/21/73/85/570217385.db2.gz KAKRSQAUWLVYAU-OAQYLSRUSA-N 1 0 396.535 3.907 40 0 GHABRO Clc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244102 570223824 /nfs/dbraw/zinc/22/38/24/570223824.db2.gz CUTXCCRLRSDARH-OAQYLSRUSA-N 1 0 384.911 3.626 40 0 GHABRO Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CCCC[C@H]4[NH3+])CC3)n2)s1 ZINC000585263604 570232107 /nfs/dbraw/zinc/23/21/07/570232107.db2.gz TUDTYKMHPBXBHN-DLBZAZTESA-N 1 0 399.564 3.814 40 0 GHABRO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1CCC[N@@H+]1[C@@H]2c1ccc2ccccc2n1 ZINC000100194914 570236822 /nfs/dbraw/zinc/23/68/22/570236822.db2.gz RKOONEMLJYTHIL-GXRSIYKFSA-N 1 0 383.451 3.560 40 0 GHABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc1OC ZINC000020042110 570236940 /nfs/dbraw/zinc/23/69/40/570236940.db2.gz FZISHQVQOSYOCX-MRXNPFEDSA-N 1 0 380.554 3.567 40 0 GHABRO O=C(NCCC[NH+]1CCCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020462567 570261003 /nfs/dbraw/zinc/26/10/03/570261003.db2.gz XOQRLADXPDFMNP-UHFFFAOYSA-N 1 0 377.532 3.855 40 0 GHABRO Cc1cccc(N2CCN([C@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C ZINC000057669758 570367197 /nfs/dbraw/zinc/36/71/97/570367197.db2.gz WPOMXLRYENLAMV-HXUWFJFHSA-N 1 0 384.572 3.954 40 0 GHABRO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000222624621 570417342 /nfs/dbraw/zinc/41/73/42/570417342.db2.gz JGCYHDXPCNYYOJ-UHFFFAOYSA-N 1 0 376.456 3.980 40 0 GHABRO COCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008469047 570455887 /nfs/dbraw/zinc/45/58/87/570455887.db2.gz RNSKTQVPAUVXNW-UHFFFAOYSA-N 1 0 398.272 3.912 40 0 GHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000012362802 570646355 /nfs/dbraw/zinc/64/63/55/570646355.db2.gz WTSGQAZJDITBDD-KRWDZBQOSA-N 1 0 387.549 3.660 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000260735145 570701563 /nfs/dbraw/zinc/70/15/63/570701563.db2.gz FTEQNUBJOMENJP-HNNXBMFYSA-N 1 0 377.554 3.580 40 0 GHABRO O=C(CSCc1ccc(Br)cc1)NCCC[NH+]1CCCCC1 ZINC000013647432 570766479 /nfs/dbraw/zinc/76/64/79/570766479.db2.gz VNGCLQCAIUOODU-UHFFFAOYSA-N 1 0 385.371 3.675 40 0 GHABRO Cc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000026781104 570806963 /nfs/dbraw/zinc/80/69/63/570806963.db2.gz XNYWUQYZSONDEQ-QFIPXVFZSA-N 1 0 396.575 3.850 40 0 GHABRO COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)[NH+](C)C)CC1 ZINC000257330256 570908918 /nfs/dbraw/zinc/90/89/18/570908918.db2.gz XNPUCJFAWGCFNP-JXQFQVJHSA-N 1 0 395.547 3.858 40 0 GHABRO CCCC[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502158 570927276 /nfs/dbraw/zinc/92/72/76/570927276.db2.gz RIMQNQBIBZQPSS-OAQYLSRUSA-N 1 0 382.556 3.513 40 0 GHABRO FC(F)(F)c1cc(-c2nsc(N3CC[NH2+]CC3)n2)cc(C(F)(F)F)c1 ZINC000199557966 570951198 /nfs/dbraw/zinc/95/11/98/570951198.db2.gz KUMFEOXPGIDJIH-UHFFFAOYSA-N 1 0 382.333 3.652 40 0 GHABRO Cc1cccnc1[C@H](Cc1ccsc1)[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000019237644 570967284 /nfs/dbraw/zinc/96/72/84/570967284.db2.gz BXDBZUKYNHNNNJ-FQEVSTJZSA-N 1 0 394.544 3.757 40 0 GHABRO COc1ccc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285507 570969110 /nfs/dbraw/zinc/96/91/10/570969110.db2.gz FIFQVABZFGWEAQ-LEWJYISDSA-N 1 0 393.462 3.609 40 0 GHABRO O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019374242 570981561 /nfs/dbraw/zinc/98/15/61/570981561.db2.gz IBNFAZZBGXAOAF-JOCHJYFZSA-N 1 0 384.483 3.767 40 0 GHABRO O=C(NCC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019401679 570982785 /nfs/dbraw/zinc/98/27/85/570982785.db2.gz AOZKHQNTNITMQI-SFHVURJKSA-N 1 0 382.508 3.759 40 0 GHABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc(C(C)C)cc4)C3)ncc2C1 ZINC000019453234 570986238 /nfs/dbraw/zinc/98/62/38/570986238.db2.gz ZWPFEKNSWDKOQP-OAQYLSRUSA-N 1 0 392.547 3.884 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c(F)c1 ZINC000019551767 571001312 /nfs/dbraw/zinc/00/13/12/571001312.db2.gz QCLHTFVPTCGQQD-CYBMUJFWSA-N 1 0 391.397 3.589 40 0 GHABRO C[C@H]1CCC[C@@H]([N@@H+]2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]2C)C1 ZINC000010587794 571004158 /nfs/dbraw/zinc/00/41/58/571004158.db2.gz SNIZDVPEJYDTHR-CMKODMSKSA-N 1 0 390.535 3.905 40 0 GHABRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019565237 571007574 /nfs/dbraw/zinc/00/75/74/571007574.db2.gz ZLBMPQVSIVCJIY-FQEVSTJZSA-N 1 0 376.460 3.980 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1OC ZINC000019567855 571008473 /nfs/dbraw/zinc/00/84/73/571008473.db2.gz MSLBRVGSSUQPDZ-KRWDZBQOSA-N 1 0 380.448 3.528 40 0 GHABRO CSCC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc2ccc(Cl)cc2c1=O ZINC000019574031 571011285 /nfs/dbraw/zinc/01/12/85/571011285.db2.gz WERUBMKYLJZLGH-DLBZAZTESA-N 1 0 392.952 3.848 40 0 GHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CC[N@H+](CC2CC2)C1 ZINC000019591653 571019305 /nfs/dbraw/zinc/01/93/05/571019305.db2.gz WHNCHZXUDOFINP-DEOSSOPVSA-N 1 0 378.516 3.753 40 0 GHABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCCC[N@@H+]2CC(C)(C)C)n1 ZINC000019687699 571028591 /nfs/dbraw/zinc/02/85/91/571028591.db2.gz UZWZWEBQJLMDQS-IBGZPJMESA-N 1 0 395.551 3.882 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21)NC1CCC1 ZINC000096052789 571097538 /nfs/dbraw/zinc/09/75/38/571097538.db2.gz KRSRWGMQCHDBHT-HXUWFJFHSA-N 1 0 396.575 3.993 40 0 GHABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@H](CC(=O)N(C)C)c3ccccc32)CC1 ZINC000096052707 571097643 /nfs/dbraw/zinc/09/76/43/571097643.db2.gz HRQFHJBEWNJYPR-SFHVURJKSA-N 1 0 381.520 3.791 40 0 GHABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053257 571098064 /nfs/dbraw/zinc/09/80/64/571098064.db2.gz WRCMFGOKWCRHOM-GOSISDBHSA-N 1 0 382.479 3.863 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053435 571098067 /nfs/dbraw/zinc/09/80/67/571098067.db2.gz FCPURGSYLPJMNR-IBGZPJMESA-N 1 0 391.515 3.651 40 0 GHABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096061352 571098526 /nfs/dbraw/zinc/09/85/26/571098526.db2.gz AUPYYUIRSXLTNN-QFIPXVFZSA-N 1 0 396.506 3.823 40 0 GHABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccncc2)C1)C1CCCC1 ZINC000012089241 856418709 /nfs/dbraw/zinc/41/87/09/856418709.db2.gz ROSVHNIZALBHPU-RBUKOAKNSA-N 1 0 384.549 3.798 40 0 GHABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218571707 895856918 /nfs/dbraw/zinc/85/69/18/895856918.db2.gz WSBPFZSUIWBSBP-HSALFYBXSA-N 1 0 393.936 3.570 40 0 GHABRO CCCCOc1cccc(C(=O)Nc2cc(N)ccc2N2CC[NH+](CC)CC2)c1 ZINC000226259866 203791052 /nfs/dbraw/zinc/79/10/52/203791052.db2.gz JRJTVIZEYYERNT-UHFFFAOYSA-N 1 0 396.535 3.842 40 0 GHABRO C[NH2+]CCCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000008377018 204274671 /nfs/dbraw/zinc/27/46/71/204274671.db2.gz VFKXQFYJBCKLFX-UHFFFAOYSA-N 1 0 381.289 3.866 40 0 GHABRO C[C@H](O)C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccc2c(c1)OCO2 ZINC000012116734 204372655 /nfs/dbraw/zinc/37/26/55/204372655.db2.gz HWTXOFOJCIZJMA-AWEZNQCLSA-N 1 0 399.878 3.842 40 0 GHABRO CC[NH+](CC)C[C@H]1CCCN(c2c(C)c(C)nc3cc(C4CCOCC4)nn32)C1 ZINC000012155426 204377329 /nfs/dbraw/zinc/37/73/29/204377329.db2.gz HGKWVOFXFCHGIA-LJQANCHMSA-N 1 0 399.583 3.798 40 0 GHABRO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000012199366 204383078 /nfs/dbraw/zinc/38/30/78/204383078.db2.gz ZFRRLGXIPYONAI-NRFANRHFSA-N 1 0 395.478 3.519 40 0 GHABRO CC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CC=C(c4ccccc4)CC3)ccc21 ZINC000012291299 204388741 /nfs/dbraw/zinc/38/87/41/204388741.db2.gz TWBVHBJETUHIBZ-XMMPIXPASA-N 1 0 376.500 3.808 40 0 GHABRO O=S(=O)(Cc1ccccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872252 205087354 /nfs/dbraw/zinc/08/73/54/205087354.db2.gz YWTIARXUWXKFPV-UHFFFAOYSA-N 1 0 378.925 3.555 40 0 GHABRO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044908693 205089376 /nfs/dbraw/zinc/08/93/76/205089376.db2.gz WFVOUYOYNVOXMB-GOSISDBHSA-N 1 0 382.504 3.878 40 0 GHABRO Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072353959 205332059 /nfs/dbraw/zinc/33/20/59/205332059.db2.gz TXKSENVLLIOWOG-NRFANRHFSA-N 1 0 395.522 3.922 40 0 GHABRO O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCC[N@@H+]2CCCc2ccccc2)C1 ZINC000096071290 205521732 /nfs/dbraw/zinc/52/17/32/205521732.db2.gz HJPNLSWHUPFDGQ-QHCPKHFHSA-N 1 0 398.572 3.939 40 0 GHABRO COc1cccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000224334229 206019589 /nfs/dbraw/zinc/01/95/89/206019589.db2.gz JZNDVOWDHJLFQS-GOSISDBHSA-N 1 0 382.504 3.736 40 0 GHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000224527265 206021975 /nfs/dbraw/zinc/02/19/75/206021975.db2.gz QEXHAGCFUCZLFG-UHFFFAOYSA-N 1 0 382.504 3.541 40 0 GHABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1C ZINC000224551788 206023548 /nfs/dbraw/zinc/02/35/48/206023548.db2.gz UHYPUDFCSKELRQ-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO COc1cccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224682246 206026434 /nfs/dbraw/zinc/02/64/34/206026434.db2.gz FTIHDNCFJCEGIP-GOSISDBHSA-N 1 0 382.504 3.765 40 0 GHABRO Cc1cc(NC(=S)NCCC[NH+]2CCC(C)CC2)ccc1N1CCCC1=O ZINC000225437544 206047720 /nfs/dbraw/zinc/04/77/20/206047720.db2.gz RRBFMQDJSVQRCV-UHFFFAOYSA-N 1 0 388.581 3.530 40 0 GHABRO CCC[C@H]1CC[N@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]1Nc1ccccc1 ZINC000257253689 206167671 /nfs/dbraw/zinc/16/76/71/206167671.db2.gz JZWGZPREFJDMQI-PZJWPPBQSA-N 1 0 392.547 3.980 40 0 GHABRO CCc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306138315 206206103 /nfs/dbraw/zinc/20/61/03/206206103.db2.gz RUTOLGOODDLMPX-GOTSBHOMSA-N 1 0 386.499 3.527 40 0 GHABRO Fc1cccc(C[NH+]2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)c1 ZINC000306128772 206198665 /nfs/dbraw/zinc/19/86/65/206198665.db2.gz HKESCAGTCSACRO-UHFFFAOYSA-N 1 0 388.450 3.865 40 0 GHABRO CN(C)C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)Cc1sc(-c3ccccc3)nc12 ZINC000306136614 206202628 /nfs/dbraw/zinc/20/26/28/206202628.db2.gz PYLBBTIBYCDZCK-JOCHJYFZSA-N 1 0 396.560 3.661 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccc(OC)cc5)cnc4C[C@@H]3C2)cc1 ZINC000306134060 206203895 /nfs/dbraw/zinc/20/38/95/206203895.db2.gz NCSUQYUOSZPOIV-WOJBJXKFSA-N 1 0 389.499 3.872 40 0 GHABRO O=C(N[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1ccncc1 ZINC000096079844 570209950 /nfs/dbraw/zinc/20/99/50/570209950.db2.gz BTNADECEIFQYQT-HXUWFJFHSA-N 1 0 377.488 3.580 40 0 GHABRO C[C@@]1(CNC(=O)CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CCCO1 ZINC000019745366 570213651 /nfs/dbraw/zinc/21/36/51/570213651.db2.gz YJBMDOPVBKFCII-FQEVSTJZSA-N 1 0 398.469 3.993 40 0 GHABRO CCNc1nc(N2CCc3cc(Br)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329068344 570216376 /nfs/dbraw/zinc/21/63/76/570216376.db2.gz YPVFNOIFPAIOIO-UHFFFAOYSA-N 1 0 375.314 3.779 40 0 GHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4ccco4)nc23)cc1 ZINC000096244217 570223572 /nfs/dbraw/zinc/22/35/72/570223572.db2.gz APVFIBFGZWYLJB-QHCPKHFHSA-N 1 0 390.487 3.664 40 0 GHABRO Cc1nc(NCC2CC2)nc2c1COC[C@]21CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000096244520 570224166 /nfs/dbraw/zinc/22/41/66/570224166.db2.gz NKRCMKABPPZXRA-JOCHJYFZSA-N 1 0 398.938 3.934 40 0 GHABRO COc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc1OC ZINC000020042106 570237035 /nfs/dbraw/zinc/23/70/35/570237035.db2.gz FZISHQVQOSYOCX-INIZCTEOSA-N 1 0 380.554 3.567 40 0 GHABRO O[C@@]1(COc2ccc(F)cc2)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585285024 570254341 /nfs/dbraw/zinc/25/43/41/570254341.db2.gz BOYRRRRUNWGXRA-KIFXHHALSA-N 1 0 399.506 3.994 40 0 GHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3ccc(Cl)cc3)cc2c1 ZINC000585285175 570254459 /nfs/dbraw/zinc/25/44/59/570254459.db2.gz OUXKNILAJWEONG-SFHVURJKSA-N 1 0 386.879 3.740 40 0 GHABRO CC[C@H]1[C@@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CC[NH+]1CC2 ZINC000001641781 570266391 /nfs/dbraw/zinc/26/63/91/570266391.db2.gz LGCQVJSQUJNJEC-GMAHTHKFSA-N 1 0 379.500 3.729 40 0 GHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3cccc(C)c3OC)n(C)n2)CC1 ZINC000100687693 570274920 /nfs/dbraw/zinc/27/49/20/570274920.db2.gz CKNKAPYOBBTTQN-KDURUIRLSA-N 1 0 384.568 3.862 40 0 GHABRO CCOc1cc2c(cc1CN(Cc1cccnc1)C[C@H]1CCC[N@@H+]1CC)OCO2 ZINC000022931846 570379796 /nfs/dbraw/zinc/37/97/96/570379796.db2.gz AMYOEPRPWOAHSV-HXUWFJFHSA-N 1 0 397.519 3.696 40 0 GHABRO O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139135857 570492719 /nfs/dbraw/zinc/49/27/19/570492719.db2.gz AWRCVCXORNWUNM-UHFFFAOYSA-N 1 0 394.515 3.693 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 ZINC000030756108 570495222 /nfs/dbraw/zinc/49/52/22/570495222.db2.gz TVMNZHMIRCCKJH-IAGOWNOFSA-N 1 0 394.581 3.955 40 0 GHABRO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c(Cl)c1 ZINC000008215743 570765576 /nfs/dbraw/zinc/76/55/76/570765576.db2.gz CNIRXEDNVVXCHY-GOSISDBHSA-N 1 0 381.863 3.594 40 0 GHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)[C@@H](C)c3ccccc3)n(C)n2)CC1 ZINC000257343130 570910389 /nfs/dbraw/zinc/91/03/89/570910389.db2.gz ZRPGULSCSIITAH-BJLQDIEVSA-N 1 0 382.552 3.675 40 0 GHABRO CC(C)C[C@H](O)C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100376 570924526 /nfs/dbraw/zinc/92/45/26/570924526.db2.gz KMXFBALNFOBJGJ-RBBKRZOGSA-N 1 0 394.506 3.719 40 0 GHABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)cc1F ZINC000585104554 570933116 /nfs/dbraw/zinc/93/31/16/570933116.db2.gz QDFVENMSQUKVPV-XLIONFOSSA-N 1 0 388.527 3.877 40 0 GHABRO Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3ncc4c(n3)CC[NH2+]C4)cc2c1 ZINC000019221324 570963490 /nfs/dbraw/zinc/96/34/90/570963490.db2.gz NLIKADHGHKLAQJ-SFHVURJKSA-N 1 0 376.460 3.544 40 0 GHABRO COc1c(C)cccc1C[N@@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019235981 570966399 /nfs/dbraw/zinc/96/63/99/570966399.db2.gz QLEYLKZPFOBJHV-FQEVSTJZSA-N 1 0 390.487 3.876 40 0 GHABRO O=C(c1cc(C2CCCCC2)no1)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292186 570972395 /nfs/dbraw/zinc/97/23/95/570972395.db2.gz ZVBCBYAQHALFHB-LJQANCHMSA-N 1 0 395.507 3.525 40 0 GHABRO O=C1NCC[N@H+](CC2CCCCC2)C[C@@H]1Cc1cccc(-c2cccnc2)c1 ZINC000019331494 570974963 /nfs/dbraw/zinc/97/49/63/570974963.db2.gz LYYXOSFFNCSXPF-QHCPKHFHSA-N 1 0 377.532 3.919 40 0 GHABRO O=C1NCC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1Cc1cccc(-c2cccnc2)c1 ZINC000019331502 570975136 /nfs/dbraw/zinc/97/51/36/570975136.db2.gz CJAXNIZYYZIDQH-QFIPXVFZSA-N 1 0 389.474 3.678 40 0 GHABRO O=C(c1ccccc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCCCC1 ZINC000019365933 570980195 /nfs/dbraw/zinc/98/01/95/570980195.db2.gz XQNGBFJNJXVYJR-DHIUTWEWSA-N 1 0 378.516 3.797 40 0 GHABRO CC(C)c1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019454058 570986815 /nfs/dbraw/zinc/98/68/15/570986815.db2.gz LRGAVFMOTZRCKH-INIZCTEOSA-N 1 0 395.532 3.791 40 0 GHABRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3F)no2)CC1 ZINC000019527059 570997651 /nfs/dbraw/zinc/99/76/51/570997651.db2.gz LSDCUCMAGRHDQG-UHFFFAOYSA-N 1 0 383.427 3.586 40 0 GHABRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019533271 570999740 /nfs/dbraw/zinc/99/97/40/570999740.db2.gz AQZNOPHEFIWMCT-NRFANRHFSA-N 1 0 390.487 3.958 40 0 GHABRO COc1ccc2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)c[nH]c2c1 ZINC000019563133 571006492 /nfs/dbraw/zinc/00/64/92/571006492.db2.gz PBZZURVNFIIUMW-NQIIRXRSSA-N 1 0 385.414 3.564 40 0 GHABRO Cc1nn(C[C@H](C)C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)c1Cl ZINC000019578144 571012006 /nfs/dbraw/zinc/01/20/06/571012006.db2.gz AFDRAOUHPXXHOV-MAUKXSAKSA-N 1 0 380.964 3.656 40 0 GHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)Cc1cccc(F)c1)Cc1ccccc1O2 ZINC000019591972 571019304 /nfs/dbraw/zinc/01/93/04/571019304.db2.gz SYVNQHYQJZNDEM-UHFFFAOYSA-N 1 0 382.479 3.690 40 0 GHABRO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)C2CCCC2)n1 ZINC000019697373 571030427 /nfs/dbraw/zinc/03/04/27/571030427.db2.gz VWDMOOHQBJTBOO-HNNXBMFYSA-N 1 0 397.498 3.552 40 0 GHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2ccccc2nc1N(C)C ZINC000019712166 856426101 /nfs/dbraw/zinc/42/61/01/856426101.db2.gz LCOGXSZNXYWDIY-YADHBBJMSA-N 1 0 380.536 3.666 40 0 GHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1cc(C2CC2)n[nH]1 ZINC000019712897 856427068 /nfs/dbraw/zinc/42/70/68/856427068.db2.gz HYHYFPVPTVEVHA-PTUXOGIPSA-N 1 0 392.547 3.987 40 0 GHABRO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000019739207 856427952 /nfs/dbraw/zinc/42/79/52/856427952.db2.gz XOUGWDANPZHKPQ-HSZRJFAPSA-N 1 0 399.535 3.766 40 0 GHABRO Cn1c2ccccc2nc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712597 860328206 /nfs/dbraw/zinc/32/82/06/860328206.db2.gz ZOYBDUOGIZXWII-VNZMSGEBSA-N 1 0 388.515 3.600 40 0 GHABRO COc1ccc(Br)cc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019831580 860391963 /nfs/dbraw/zinc/39/19/63/860391963.db2.gz FRJUIIYCYYSTGB-IKGGRYGDSA-N 1 0 391.353 3.788 40 0 GHABRO O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCc2ccccc21)Nc1ccccc1 ZINC000008623263 291134630 /nfs/dbraw/zinc/13/46/30/291134630.db2.gz XHLTWWDSKQNPBD-TUNNFDKTSA-N 1 0 390.531 3.581 40 0 biogenic,in-vitro GHABRO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCC(O)CC3)C=C2C)o1 ZINC000035442700 204225447 /nfs/dbraw/zinc/22/54/47/204225447.db2.gz JABYYKVSVWMTFX-BJLQDIEVSA-N 1 0 375.557 3.876 40 0 biogenic,in-vitro GHABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000008497877 204278402 /nfs/dbraw/zinc/27/84/02/204278402.db2.gz AONOAGZFRXAGIU-ZDUSSCGKSA-N 1 0 380.282 3.507 40 0 GHABRO CCn1c(C[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)n[nH]3)C2)nc2ccccc21 ZINC000012087318 204370548 /nfs/dbraw/zinc/37/05/48/204370548.db2.gz JXHQAHUBKMAOHR-QGZVFWFLSA-N 1 0 387.491 3.616 40 0 GHABRO CCc1[nH]c2ccc(C(=O)NC[C@H](c3ccc4c(c3)OCO4)[NH+](C)C)cc2c1C ZINC000012203711 204382263 /nfs/dbraw/zinc/38/22/63/204382263.db2.gz HISSEDXBQZJDRK-HXUWFJFHSA-N 1 0 393.487 3.800 40 0 GHABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000012239796 204386419 /nfs/dbraw/zinc/38/64/19/204386419.db2.gz KNVUQMXWGKWSAJ-KRWDZBQOSA-N 1 0 375.513 3.872 40 0 GHABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@](O)(c3ccc(F)cc3)CC1)CO2 ZINC000012251869 204388356 /nfs/dbraw/zinc/38/83/56/204388356.db2.gz ULUWDLHCBOMXDH-HSZRJFAPSA-N 1 0 383.463 3.984 40 0 GHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(C)c(C)c3)CC1)C[C@@H]2O ZINC000012293498 204388648 /nfs/dbraw/zinc/38/86/48/204388648.db2.gz ODYPCQLMKNRRSJ-FCHUYYIVSA-N 1 0 397.515 3.696 40 0 GHABRO c1csc(-c2nc(NCC[NH+]3CCCCCC3)ncc2-c2cnccn2)c1 ZINC000012337061 204398838 /nfs/dbraw/zinc/39/88/38/204398838.db2.gz BUKWWLGGUPUAHA-UHFFFAOYSA-N 1 0 380.521 3.950 40 0 GHABRO Cc1cccc(O[C@@H](C)c2nnc(NC(=O)[C@@H]3C[NH+]4CCC3CC4)s2)c1C ZINC000019235680 204634116 /nfs/dbraw/zinc/63/41/16/204634116.db2.gz XPZRZGNRYNRLQG-GOEBONIOSA-N 1 0 386.521 3.575 40 0 GHABRO O=C(CN1c2cccc3cccc(c23)C1=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857355 205088666 /nfs/dbraw/zinc/08/86/66/205088666.db2.gz ZWASGGLZDREXRQ-UHFFFAOYSA-N 1 0 399.494 3.712 40 0 GHABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000072345957 205329692 /nfs/dbraw/zinc/32/96/92/205329692.db2.gz YUXJZTQNZYHRKH-SFHVURJKSA-N 1 0 375.476 3.509 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2cncc(Oc3ccc(F)cc3)n2)CC1 ZINC000072384371 205338899 /nfs/dbraw/zinc/33/88/99/205338899.db2.gz XROROPFXYUFFSI-HXUWFJFHSA-N 1 0 384.455 3.556 40 0 GHABRO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C2CCCC2)C1 ZINC000072395913 205343053 /nfs/dbraw/zinc/34/30/53/205343053.db2.gz GIKDJHUXVJZXAY-HSZRJFAPSA-N 1 0 381.520 3.997 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000223289094 205997449 /nfs/dbraw/zinc/99/74/49/205997449.db2.gz DRLCVYZRBBNDIO-WOJBJXKFSA-N 1 0 383.565 3.532 40 0 GHABRO CC[C@@H](Oc1ccccc1OC)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224626837 206025184 /nfs/dbraw/zinc/02/51/84/206025184.db2.gz WAQOKKJADPTRTQ-HXUWFJFHSA-N 1 0 382.504 3.765 40 0 GHABRO CSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000224836837 206028512 /nfs/dbraw/zinc/02/85/12/206028512.db2.gz XMBVSSCNNFQLRN-UHFFFAOYSA-N 1 0 382.942 3.764 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC000225500190 206053692 /nfs/dbraw/zinc/05/36/92/206053692.db2.gz HTOHWIBVKYQSRW-IBGZPJMESA-N 1 0 390.549 3.781 40 0 GHABRO COC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1C ZINC000225743187 206072649 /nfs/dbraw/zinc/07/26/49/206072649.db2.gz LBLVKYFKKLEXMJ-UHFFFAOYSA-N 1 0 397.544 3.516 40 0 GHABRO COc1cccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225772098 206074887 /nfs/dbraw/zinc/07/48/87/206074887.db2.gz JYQQPRBWMSVUAF-UHFFFAOYSA-N 1 0 385.533 3.655 40 0 GHABRO COc1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 ZINC000096112922 206117635 /nfs/dbraw/zinc/11/76/35/206117635.db2.gz AVCGSSRFMSCWPF-IBGZPJMESA-N 1 0 383.879 3.901 40 0 biogenic,in-vitro GHABRO Cc1ncsc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257203477 206158024 /nfs/dbraw/zinc/15/80/24/206158024.db2.gz AQGBABZTQRCSSF-GOYZHWMFSA-N 1 0 381.545 3.808 40 0 GHABRO CNC(=O)c1sc2nc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)ccc2c1N ZINC000257288508 206172580 /nfs/dbraw/zinc/17/25/80/206172580.db2.gz PUKKBDAHCNWABQ-MRXNPFEDSA-N 1 0 384.480 3.714 40 0 GHABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000257301827 206175532 /nfs/dbraw/zinc/17/55/32/206175532.db2.gz SACMWWAHJFCBGD-GOSISDBHSA-N 1 0 396.535 3.813 40 0 GHABRO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)nc1C ZINC000257266576 206169278 /nfs/dbraw/zinc/16/92/78/206169278.db2.gz MDPHYOBVGPQBTL-OAQYLSRUSA-N 1 0 394.563 3.802 40 0 GHABRO Cc1noc(C)c1-c1cnc(CC[C@@H]2CCC[N@@H+]2Cc2ncccc2F)cn1 ZINC000257264428 206169955 /nfs/dbraw/zinc/16/99/55/206169955.db2.gz LUHYUOYOYSWYPS-KRWDZBQOSA-N 1 0 381.455 3.880 40 0 GHABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3cnc(C)cn3)CC2)nc(C)n1 ZINC000257323850 206179243 /nfs/dbraw/zinc/17/92/43/206179243.db2.gz WMBQBKGHWNYVEN-UHFFFAOYSA-N 1 0 378.480 3.535 40 0 GHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257340812 206181048 /nfs/dbraw/zinc/18/10/48/206181048.db2.gz ZHPRAHCNGMKLLF-HXUWFJFHSA-N 1 0 385.483 3.944 40 0 GHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccc1 ZINC000306138002 206205128 /nfs/dbraw/zinc/20/51/28/206205128.db2.gz RMKDPPYETDNTHO-VXKWHMMOSA-N 1 0 375.447 3.709 40 0 GHABRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CC[C@@]3(C1)COCc1cnc(NC4CC4)nc13)=CC2 ZINC000306142591 206206996 /nfs/dbraw/zinc/20/69/96/206206996.db2.gz XDXZTBOPFRAGOW-WCAVRKLYSA-N 1 0 380.536 3.517 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)cc1 ZINC000306124718 206197438 /nfs/dbraw/zinc/19/74/38/206197438.db2.gz BXODMCHKGILMOF-XMMPIXPASA-N 1 0 386.499 3.649 40 0 GHABRO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@H+](CCC(C)(C)C)CCO2 ZINC000306127658 206198328 /nfs/dbraw/zinc/19/83/28/206198328.db2.gz GEFSAOIXOFACBJ-OXJNMPFZSA-N 1 0 379.570 3.631 40 0 GHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306129170 206199599 /nfs/dbraw/zinc/19/95/99/206199599.db2.gz HWGPXEURTVRUQT-VXKWHMMOSA-N 1 0 393.437 3.848 40 0 GHABRO CN1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000306133392 206200785 /nfs/dbraw/zinc/20/07/85/206200785.db2.gz MKBNNRBOZCKMIA-UHFFFAOYSA-N 1 0 397.910 3.628 40 0 GHABRO CC[NH+]1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2N)CC1 ZINC000072229291 136167658 /nfs/dbraw/zinc/16/76/58/136167658.db2.gz LFVRNOCUOYWVPV-UHFFFAOYSA-N 1 0 393.318 3.970 40 0 GHABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113950428 535817666 /nfs/dbraw/zinc/81/76/66/535817666.db2.gz NTCUPOQSPGPBII-JOCHJYFZSA-N 1 0 381.520 3.851 40 0 GHABRO Cc1nn(C)cc1-c1cc(C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)n[nH]1 ZINC000019718742 570209831 /nfs/dbraw/zinc/20/98/31/570209831.db2.gz CWNOMJWGWPWXSX-HNNXBMFYSA-N 1 0 392.507 3.745 40 0 GHABRO Brc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328984500 570210928 /nfs/dbraw/zinc/21/09/28/570210928.db2.gz HNOFOTNCWJNOER-UHFFFAOYSA-N 1 0 387.325 3.927 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccn2)n1 ZINC000329017872 570212429 /nfs/dbraw/zinc/21/24/29/570212429.db2.gz NNKRNYAYSPYRNY-UHFFFAOYSA-N 1 0 382.899 3.721 40 0 GHABRO CN(Cc1ccc2ncccc2c1)C(=O)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000019748213 570214315 /nfs/dbraw/zinc/21/43/15/570214315.db2.gz HYVVFGQHFBRHBG-UHFFFAOYSA-N 1 0 388.515 3.891 40 0 GHABRO C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096220871 570219903 /nfs/dbraw/zinc/21/99/03/570219903.db2.gz DOGRMEQXAKJMJO-FQEVSTJZSA-N 1 0 399.922 3.631 40 0 GHABRO Clc1ccc2ncc(-c3cccc(C[C@@H]4OCCC45CC[NH2+]CC5)n3)n2c1 ZINC000585263024 570230719 /nfs/dbraw/zinc/23/07/19/570230719.db2.gz HUXUMWHAUDJYAH-IBGZPJMESA-N 1 0 382.895 3.751 40 0 GHABRO CCC[C@@H](c1nnnn1CCc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020142140 570243009 /nfs/dbraw/zinc/24/30/09/570243009.db2.gz MNNNWKWJEIMUJC-QFIPXVFZSA-N 1 0 396.583 3.707 40 0 GHABRO Cc1ccc(OC[C@@]2(O)C[N@@H+]([C@H]3CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)cc1 ZINC000585281856 570248376 /nfs/dbraw/zinc/24/83/76/570248376.db2.gz CTGLTDVSGHTFNP-TWVZQSRDSA-N 1 0 395.543 3.898 40 0 GHABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3c(C)cccc3C)cc12 ZINC000585283910 570252228 /nfs/dbraw/zinc/25/22/28/570252228.db2.gz IQLFESUDJUSRGT-IBGZPJMESA-N 1 0 380.488 3.704 40 0 GHABRO FC(F)(F)c1nc(-c2ccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)nc2)no1 ZINC000585289047 570256874 /nfs/dbraw/zinc/25/68/74/570256874.db2.gz CIIOCLKVIQOWGG-HNNXBMFYSA-N 1 0 389.381 3.925 40 0 GHABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000585289790 570257692 /nfs/dbraw/zinc/25/76/92/570257692.db2.gz NTXIHVCGUKVXTP-FBBABVLZSA-N 1 0 389.879 3.562 40 0 GHABRO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000022074118 570304784 /nfs/dbraw/zinc/30/47/84/570304784.db2.gz JOVRNBALOUIQON-UHFFFAOYSA-N 1 0 392.902 3.870 40 0 GHABRO Clc1ccc(COc2ccc(C[NH2+]CCN3CCOCC3)cc2)c(Cl)c1 ZINC000023263534 570353231 /nfs/dbraw/zinc/35/32/31/570353231.db2.gz LQSUFVFEGQEAJR-UHFFFAOYSA-N 1 0 395.330 3.994 40 0 GHABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000013301132 570391455 /nfs/dbraw/zinc/39/14/55/570391455.db2.gz JMYQPHVQYYQNOG-NTZNESFSSA-N 1 0 378.257 3.730 40 0 GHABRO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039760816 570445685 /nfs/dbraw/zinc/44/56/85/570445685.db2.gz ZBHJBBHVVHCNJU-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO Cc1noc(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198653 570447222 /nfs/dbraw/zinc/44/72/22/570447222.db2.gz FNTZOFACFLKARG-JROBLHLSSA-N 1 0 383.536 3.646 40 0 GHABRO O=C(NCCCN1CCc2ccccc21)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039753884 570447235 /nfs/dbraw/zinc/44/72/35/570447235.db2.gz LUJXXXYWKCBGNG-UHFFFAOYSA-N 1 0 395.522 3.607 40 0 GHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c1 ZINC000007540524 570760483 /nfs/dbraw/zinc/76/04/83/570760483.db2.gz WLQFUCKUAPRSKR-UHFFFAOYSA-N 1 0 379.412 3.810 40 0 GHABRO Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 ZINC000008570165 570771738 /nfs/dbraw/zinc/77/17/38/570771738.db2.gz LQZPQELOMSFSDW-IBGZPJMESA-N 1 0 381.863 3.594 40 0 GHABRO COc1ccccc1CCC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257240943 570893856 /nfs/dbraw/zinc/89/38/56/570893856.db2.gz HVUQLTFTCOLGJQ-LYHRCORUSA-N 1 0 381.520 3.645 40 0 GHABRO CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)[NH+](C)C)CC2)[nH]n1 ZINC000257284229 570902498 /nfs/dbraw/zinc/90/24/98/570902498.db2.gz PBUXOSXRSYECEW-CBGDNZLLSA-N 1 0 383.540 3.767 40 0 GHABRO COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257340296 570909944 /nfs/dbraw/zinc/90/99/44/570909944.db2.gz ZFKFRZUOEWGLBT-AVYPCKFXSA-N 1 0 387.911 3.980 40 0 GHABRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3cncs3)CC2)s1 ZINC000585100179 570924069 /nfs/dbraw/zinc/92/40/69/570924069.db2.gz HEVDGTBDBRXEDL-IBGZPJMESA-N 1 0 390.578 3.764 40 0 GHABRO Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020121777 570941586 /nfs/dbraw/zinc/94/15/86/570941586.db2.gz DEJFVJKGSUXMJK-QFIPXVFZSA-N 1 0 394.567 3.746 40 0 GHABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3OC)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017776 570954563 /nfs/dbraw/zinc/95/45/63/570954563.db2.gz KDMUSPSLVFZBIM-CQOQZXRMSA-N 1 0 394.515 3.683 40 0 GHABRO Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019136091 570958892 /nfs/dbraw/zinc/95/88/92/570958892.db2.gz HQSNGCVGYDNRSF-UTKZUKDTSA-N 1 0 378.520 3.630 40 0 GHABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ncccc2C)cc1OC ZINC000019237688 570967402 /nfs/dbraw/zinc/96/74/02/570967402.db2.gz CBKQIYAWIBYUME-LIMIJEPZSA-N 1 0 382.504 3.527 40 0 GHABRO O=C1NCC[N@H+](CCCc2ccccc2)C[C@@H]1Cc1ccccc1-c1cccnc1 ZINC000019371131 570980622 /nfs/dbraw/zinc/98/06/22/570980622.db2.gz HABJUQOWEOKHJH-DEOSSOPVSA-N 1 0 399.538 3.972 40 0 GHABRO c1ccc2c(C[NH+]3CCC4(CC3)Nc3ccccc3C3=NCCN34)ccnc2c1 ZINC000019376074 570982466 /nfs/dbraw/zinc/98/24/66/570982466.db2.gz FIFMCTKGYXHLDR-UHFFFAOYSA-N 1 0 383.499 3.715 40 0 GHABRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(Cn3ccnc3)o2)c2ccccc2)CC1 ZINC000019496808 570990014 /nfs/dbraw/zinc/99/00/14/570990014.db2.gz USVYRBPMRIWRHL-NRFANRHFSA-N 1 0 392.503 3.727 40 0 GHABRO CCC[NH+]1CCC(C[C@@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)CC1 ZINC000019502609 570993574 /nfs/dbraw/zinc/99/35/74/570993574.db2.gz MXVCELVNMGKYEC-INIZCTEOSA-N 1 0 376.472 3.764 40 0 GHABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019503728 570993723 /nfs/dbraw/zinc/99/37/23/570993723.db2.gz IFPLCHBAMTXVNA-KRWDZBQOSA-N 1 0 378.476 3.742 40 0 GHABRO CC[NH+](CC)CCCNc1c2c(nc3cc(-c4cc(C)on4)nn31)CCCC2 ZINC000019526380 570997162 /nfs/dbraw/zinc/99/71/62/570997162.db2.gz GTPMXKYKJXOQLB-UHFFFAOYSA-N 1 0 382.512 3.715 40 0 GHABRO CCOc1ncccc1C(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C ZINC000019531467 570998490 /nfs/dbraw/zinc/99/84/90/570998490.db2.gz QOKHSMVOZDATTO-CEMLEFRQSA-N 1 0 393.531 3.963 40 0 GHABRO CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)ccc1OC ZINC000019531889 570999242 /nfs/dbraw/zinc/99/92/42/570999242.db2.gz BXNKOQMULQOORE-YYDVJCTNSA-N 1 0 382.504 3.527 40 0 GHABRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019565234 571007405 /nfs/dbraw/zinc/00/74/05/571007405.db2.gz ZLBMPQVSIVCJIY-HXUWFJFHSA-N 1 0 376.460 3.980 40 0 GHABRO COc1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)c1OC ZINC000019568091 571008720 /nfs/dbraw/zinc/00/87/20/571008720.db2.gz QHYWAFKOIACGPW-RBUKOAKNSA-N 1 0 381.451 3.949 40 0 GHABRO Cc1noc(C)c1Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC000019581038 571013006 /nfs/dbraw/zinc/01/30/06/571013006.db2.gz ORXWJTBGOHDOEM-SFHVURJKSA-N 1 0 385.508 3.956 40 0 GHABRO CN(C)c1cccc(C(=O)N2CCCC[C@H]3[NH2+]CC[C@H](c4ccccc4)[C@H]32)c1 ZINC000019585053 571015323 /nfs/dbraw/zinc/01/53/23/571015323.db2.gz HADBZMOUMGVRKL-DNVJHFABSA-N 1 0 377.532 3.893 40 0 GHABRO COc1ccc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cc1 ZINC000096037103 571096634 /nfs/dbraw/zinc/09/66/34/571096634.db2.gz AAVJPZDDXWNWMV-UHFFFAOYSA-N 1 0 388.515 3.653 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)cc1 ZINC000096052259 571097546 /nfs/dbraw/zinc/09/75/46/571097546.db2.gz SMWXKWLOJMDKOT-OAQYLSRUSA-N 1 0 380.488 3.563 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21)NC1CC1 ZINC000096052978 571097553 /nfs/dbraw/zinc/09/75/53/571097553.db2.gz BOIFNBVFJHWSPP-INIZCTEOSA-N 1 0 381.545 3.833 40 0 GHABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053327 571097905 /nfs/dbraw/zinc/09/79/05/571097905.db2.gz FAARRGCDMSPHDC-HXUWFJFHSA-N 1 0 393.531 3.897 40 0 GHABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21 ZINC000096053326 571098025 /nfs/dbraw/zinc/09/80/25/571098025.db2.gz DHQJVQDYQXSBSW-IBGZPJMESA-N 1 0 393.531 3.897 40 0 GHABRO CC(C)CNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062809 856410148 /nfs/dbraw/zinc/41/01/48/856410148.db2.gz ASBNPRYDAYDRAN-UHFFFAOYSA-N 1 0 393.531 3.923 40 0 GHABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009063566 856410170 /nfs/dbraw/zinc/41/01/70/856410170.db2.gz RQLDYIIYBBVEJK-UHFFFAOYSA-N 1 0 384.451 3.853 40 0 GHABRO O=C(COc1ccc2ccccc2c1)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020083516 860485352 /nfs/dbraw/zinc/48/53/52/860485352.db2.gz NAZVMRKYJCRHEF-BVYCBKJFSA-N 1 0 376.500 3.575 40 0 GHABRO CCOC(=O)C1(c2ccccc2)CC[NH+](CCOc2ccccc2OC)CC1 ZINC000005325200 204125600 /nfs/dbraw/zinc/12/56/00/204125600.db2.gz XGTQISAFDRHZDY-UHFFFAOYSA-N 1 0 383.488 3.671 40 0 GHABRO Cc1cccc2cc(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)[NH+](C)C)c(C)nc12 ZINC000012203763 204382563 /nfs/dbraw/zinc/38/25/63/204382563.db2.gz XDHLYGAUNGUPCT-IBGZPJMESA-N 1 0 391.471 3.613 40 0 GHABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012239804 204386196 /nfs/dbraw/zinc/38/61/96/204386196.db2.gz DXHCZOAMJLSDMC-HNNXBMFYSA-N 1 0 375.513 3.872 40 0 GHABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012239808 204386442 /nfs/dbraw/zinc/38/64/42/204386442.db2.gz DXHCZOAMJLSDMC-OAHLLOKOSA-N 1 0 375.513 3.872 40 0 GHABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000012291381 204389132 /nfs/dbraw/zinc/38/91/32/204389132.db2.gz DHTNLHAXYWIZAL-QHCPKHFHSA-N 1 0 378.516 3.714 40 0 GHABRO O[C@@H](C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 ZINC000012292300 204389383 /nfs/dbraw/zinc/38/93/83/204389383.db2.gz ZXDHLFIMIQVJNC-NRFANRHFSA-N 1 0 391.467 3.586 40 0 GHABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293507 204389401 /nfs/dbraw/zinc/38/94/01/204389401.db2.gz BDMRJLAITIJBIC-YADHBBJMSA-N 1 0 397.515 3.696 40 0 GHABRO COc1ccc2nc(C[NH+]3CCC(O)(c4ccccc4OC)CC3)ccc2c1 ZINC000012293062 204389716 /nfs/dbraw/zinc/38/97/16/204389716.db2.gz ZPMPKSSYDWMWKK-UHFFFAOYSA-N 1 0 378.472 3.736 40 0 GHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012293725 204390031 /nfs/dbraw/zinc/39/00/31/204390031.db2.gz WAINOKZUJMAMQA-UXHICEINSA-N 1 0 389.442 3.657 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 ZINC000012330140 204398121 /nfs/dbraw/zinc/39/81/21/204398121.db2.gz PLUDDOXJYPWKRH-YADHBBJMSA-N 1 0 379.500 3.559 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c(OC)c1 ZINC000012328262 204398677 /nfs/dbraw/zinc/39/86/77/204398677.db2.gz ZZGDXMGKUMENNN-UHFFFAOYSA-N 1 0 380.448 3.528 40 0 GHABRO O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872276 205087582 /nfs/dbraw/zinc/08/75/82/205087582.db2.gz HKYVAMRZCUTHIF-UHFFFAOYSA-N 1 0 396.915 3.695 40 0 GHABRO COc1ccc(OCCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000046374724 205106705 /nfs/dbraw/zinc/10/67/05/205106705.db2.gz WZNPKQKYFQIXLR-UHFFFAOYSA-N 1 0 382.504 3.766 40 0 GHABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)no1 ZINC000072352775 205332004 /nfs/dbraw/zinc/33/20/04/205332004.db2.gz ORNIUOBAUFAJBQ-QGZVFWFLSA-N 1 0 383.492 3.822 40 0 GHABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)no1 ZINC000072352774 205332961 /nfs/dbraw/zinc/33/29/61/205332961.db2.gz ORNIUOBAUFAJBQ-KRWDZBQOSA-N 1 0 383.492 3.822 40 0 GHABRO COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)c2)c1 ZINC000072370059 205336465 /nfs/dbraw/zinc/33/64/65/205336465.db2.gz PYLJBPLFDYPJJL-HXUWFJFHSA-N 1 0 393.531 3.867 40 0 GHABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](CC[C@H](C)c1ccccc1)C2 ZINC000072390850 205341805 /nfs/dbraw/zinc/34/18/05/205341805.db2.gz RZJOEOAPSTZYRM-JTSKRJEESA-N 1 0 378.520 3.712 40 0 GHABRO CCOc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000100749989 205611267 /nfs/dbraw/zinc/61/12/67/205611267.db2.gz ZPZSEXJIEPZFSB-SELNLUPBSA-N 1 0 381.520 3.645 40 0 GHABRO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)ccc21 ZINC000225056056 206035534 /nfs/dbraw/zinc/03/55/34/206035534.db2.gz WWMUUZUVMZQLHW-UHFFFAOYSA-N 1 0 399.491 3.590 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000225737256 206071223 /nfs/dbraw/zinc/07/12/23/206071223.db2.gz FTEQNUBJOMENJP-OAHLLOKOSA-N 1 0 377.554 3.580 40 0 GHABRO CCc1[nH]nc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)c1C ZINC000257286848 206172722 /nfs/dbraw/zinc/17/27/22/206172722.db2.gz PNIAOEKGEAXQRO-FPFQSLQCSA-N 1 0 392.547 3.637 40 0 GHABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccc(Cc2cccc(F)c2)n1 ZINC000257230915 206162261 /nfs/dbraw/zinc/16/22/61/206162261.db2.gz GEMLWMUGZBJRGW-GMAHTHKFSA-N 1 0 381.495 3.900 40 0 GHABRO Cc1ncsc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)ccn1 ZINC000257240623 206164680 /nfs/dbraw/zinc/16/46/80/206164680.db2.gz HUIZSSNNERCTJT-CQSHLORDSA-N 1 0 382.533 3.649 40 0 GHABRO Cn1ccc(C(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)n1 ZINC000257247398 206167065 /nfs/dbraw/zinc/16/70/65/206167065.db2.gz IYWMVNKSONRECE-NWSQWKLXSA-N 1 0 380.536 3.510 40 0 GHABRO C[N@@H+]1CCC[C@@H]2N(C(=O)c3cncc(Cc4cccc(F)c4)c3)CCC[C@@]21C ZINC000257263770 206169581 /nfs/dbraw/zinc/16/95/81/206169581.db2.gz LRIUZBPTZKJEMT-GMAHTHKFSA-N 1 0 381.495 3.900 40 0 GHABRO C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257275500 206170751 /nfs/dbraw/zinc/17/07/51/206170751.db2.gz NPRAYKKQAWTIAH-QHCPKHFHSA-N 1 0 399.510 3.771 40 0 GHABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 ZINC000306139800 206205225 /nfs/dbraw/zinc/20/52/25/206205225.db2.gz UAWYEGHIEVFEAC-SFHVURJKSA-N 1 0 379.483 3.848 40 0 GHABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306128912 206199487 /nfs/dbraw/zinc/19/94/87/206199487.db2.gz HOGDWFJITCZMBD-GOSISDBHSA-N 1 0 390.516 3.936 40 0 GHABRO CC(C)N(C)C(=O)c1ccc2c(c1)C1(CCO2)CC[NH+](Cc2ccncc2)CC1 ZINC000306140351 206204362 /nfs/dbraw/zinc/20/43/62/206204362.db2.gz UQZBSROHDROASA-UHFFFAOYSA-N 1 0 393.531 3.878 40 0 GHABRO C[C@@H](O)C[N@H+](Cc1cccn1-c1ccccc1F)Cc1ccc2c(c1)OCO2 ZINC000012118141 221152706 /nfs/dbraw/zinc/15/27/06/221152706.db2.gz CAGMVSXZJXNPTQ-MRXNPFEDSA-N 1 0 382.435 3.728 40 0 GHABRO NC(=O)c1cccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc21 ZINC000049171138 560084306 /nfs/dbraw/zinc/08/43/06/560084306.db2.gz OZDDXFXFWCLARV-ZDUSSCGKSA-N 1 0 388.393 3.670 40 0 biogenic,in-vitro GHABRO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](C3CCOCC3)C2)cc1 ZINC000004258748 560197833 /nfs/dbraw/zinc/19/78/33/560197833.db2.gz BKFRDVFXBHAFNC-FUHWJXTLSA-N 1 0 396.556 3.835 40 0 biogenic,in-vitro GHABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C)n1)C2 ZINC000329034842 570214031 /nfs/dbraw/zinc/21/40/31/570214031.db2.gz RAZDJVHJAZSJOH-UHFFFAOYSA-N 1 0 388.471 3.746 40 0 GHABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096216037 570219498 /nfs/dbraw/zinc/21/94/98/570219498.db2.gz LQHAJEZZABWAEI-HSZRJFAPSA-N 1 0 392.503 3.901 40 0 GHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3ccc(C)c(C)c3)cc2c1 ZINC000585283793 570251917 /nfs/dbraw/zinc/25/19/17/570251917.db2.gz HREGKUAZIQNRKM-FQEVSTJZSA-N 1 0 380.488 3.704 40 0 GHABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585284910 570254323 /nfs/dbraw/zinc/25/43/23/570254323.db2.gz AQKXXZHWIYVFQP-SJJRHLGGSA-N 1 0 397.506 3.746 40 0 GHABRO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)c1 ZINC000027386133 570434158 /nfs/dbraw/zinc/43/41/58/570434158.db2.gz UQXRWFYIVPGOFJ-HSZRJFAPSA-N 1 0 376.500 3.710 40 0 GHABRO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3cccc4ccccc43)CC2)c1 ZINC000027386121 570434205 /nfs/dbraw/zinc/43/42/05/570434205.db2.gz LYVGGIYZANVOGQ-JOCHJYFZSA-N 1 0 376.500 3.710 40 0 GHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCCN3CCc4ccccc43)CC2)c1 ZINC000039768896 570446585 /nfs/dbraw/zinc/44/65/85/570446585.db2.gz ZSMXSDYURCMBQK-UHFFFAOYSA-N 1 0 391.559 3.776 40 0 GHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013676584 570772059 /nfs/dbraw/zinc/77/20/59/570772059.db2.gz HGSIMIKVWUOIQA-ZIAGYGMSSA-N 1 0 393.380 3.781 40 0 GHABRO Cc1ncc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3csc(C)n3)CC2)s1 ZINC000585100224 570924209 /nfs/dbraw/zinc/92/42/09/570924209.db2.gz IBSLHZFVPKMLMX-LJQANCHMSA-N 1 0 390.578 3.764 40 0 GHABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](CCc1ccccc1)CC2 ZINC000585099793 570925863 /nfs/dbraw/zinc/92/58/63/570925863.db2.gz AAPBBRSWRFEYBF-QHCPKHFHSA-N 1 0 381.520 3.881 40 0 GHABRO O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccccn2)N1Cc1c(Cl)cccc1Cl ZINC000585109052 570941063 /nfs/dbraw/zinc/94/10/63/570941063.db2.gz QGTSLGINNBGBEI-ROUUACIJSA-N 1 0 376.287 3.764 40 0 GHABRO Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019136083 570959090 /nfs/dbraw/zinc/95/90/90/570959090.db2.gz HQSNGCVGYDNRSF-DYESRHJHSA-N 1 0 378.520 3.630 40 0 GHABRO O=C(c1cc[nH]n1)N1C[C@H](c2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCCC[C@H]21 ZINC000019334079 570975623 /nfs/dbraw/zinc/97/56/23/570975623.db2.gz WJUBTJATGCXGGF-KCZVDYSFSA-N 1 0 378.520 3.804 40 0 GHABRO O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)N1CCOCC1)[NH+]1CCCCC1 ZINC000019365929 570980224 /nfs/dbraw/zinc/98/02/24/570980224.db2.gz XQNGBFJNJXVYJR-GOTSBHOMSA-N 1 0 378.516 3.797 40 0 GHABRO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@H+](CC3CCCCC3)C2)no1 ZINC000019405411 570983298 /nfs/dbraw/zinc/98/32/98/570983298.db2.gz GKRSBMKVSZBIMO-IBGZPJMESA-N 1 0 382.508 3.759 40 0 GHABRO O=C(NCC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000019405238 570983378 /nfs/dbraw/zinc/98/33/78/570983378.db2.gz SFQHBILQCDUTJC-IBGZPJMESA-N 1 0 382.508 3.759 40 0 GHABRO COc1cc(C[N@@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)ccc1OC(C)C ZINC000019450762 570984902 /nfs/dbraw/zinc/98/49/02/570984902.db2.gz QLSGQKAXCQXEJP-QGZVFWFLSA-N 1 0 395.507 3.539 40 0 GHABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCC4)[nH]c(=O)c3C2)CC1 ZINC000019495976 570989546 /nfs/dbraw/zinc/98/95/46/570989546.db2.gz YZMSIZQOZDUXKP-MKJPBZQASA-N 1 0 398.551 3.583 40 0 GHABRO CCC[NH+]1CCC(C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)OCC)CC1 ZINC000019502601 570993382 /nfs/dbraw/zinc/99/33/82/570993382.db2.gz OFFSWJAXDFTAMQ-SFHVURJKSA-N 1 0 376.472 3.764 40 0 GHABRO CCn1ncc(-c2cc(C(=O)N3CCCC[C@@H]3C[NH+]3CCCCCC3)no2)c1C ZINC000019524037 570996402 /nfs/dbraw/zinc/99/64/02/570996402.db2.gz SSAHAQWMQQDMLG-GOSISDBHSA-N 1 0 399.539 3.737 40 0 GHABRO CC[NH+](CC)CCN1Cc2cc3c(C)nn(-c4ccc(F)cc4)c3nc2OC1=O ZINC000019526383 570997174 /nfs/dbraw/zinc/99/71/74/570997174.db2.gz TXTLKSAXMJDJAU-UHFFFAOYSA-N 1 0 397.454 3.524 40 0 GHABRO COc1ccc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@@H+]3C)cn1 ZINC000019590815 571018604 /nfs/dbraw/zinc/01/86/04/571018604.db2.gz MMRWRUHXJHYWGQ-VWPQPMDRSA-N 1 0 397.494 3.712 40 0 GHABRO Cc1nc(N2CCCC2)sc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000019663607 571026882 /nfs/dbraw/zinc/02/68/82/571026882.db2.gz YTBZGUXFVRTTQY-INIZCTEOSA-N 1 0 392.956 3.738 40 0 GHABRO Cn1cnc2cc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)ccc21 ZINC000019718442 571041341 /nfs/dbraw/zinc/04/13/41/571041341.db2.gz OPBMBKRPBOWCSL-UHFFFAOYSA-N 1 0 378.476 3.690 40 0 GHABRO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CC2)[nH+]1 ZINC000328967544 571047924 /nfs/dbraw/zinc/04/79/24/571047924.db2.gz CUXILAFIANEGQF-UHFFFAOYSA-N 1 0 387.325 3.921 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21)NC1CC1 ZINC000096052993 571097676 /nfs/dbraw/zinc/09/76/76/571097676.db2.gz FAHFDZHSHHKZME-LJQANCHMSA-N 1 0 375.516 3.771 40 0 GHABRO [NH3+]Cc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4o3)C[C@H]2c2cc[nH]n2)cc1 ZINC000019699000 856423872 /nfs/dbraw/zinc/42/38/72/856423872.db2.gz WZHDMSPYFXZUJZ-RBUKOAKNSA-N 1 0 386.455 3.638 40 0 GHABRO Cc1nc(-c2cncnc2[C@@H]2CC[N@H+](Cc3c(C)[nH]c4ccc(F)cc43)C2)no1 ZINC000019693808 856423962 /nfs/dbraw/zinc/42/39/62/856423962.db2.gz FVUCYVSVVSJNRQ-CQSZACIVSA-N 1 0 392.438 3.753 40 0 GHABRO Fc1ccc(-c2cnc(Nc3cccc(C[C@@H]4C[NH2+]CCOC4)n3)s2)cc1 ZINC000143345483 857240966 /nfs/dbraw/zinc/24/09/66/857240966.db2.gz CXDRNKRXOKDJJN-CQSZACIVSA-N 1 0 384.480 3.866 40 0 GHABRO COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@H+](Cc3cnc(C(C)C)nc3)C[C@H]21 ZINC000248205044 870317861 /nfs/dbraw/zinc/31/78/61/870317861.db2.gz ZMAOSUYZYDLIEB-KKLQWCBXSA-N 1 0 381.520 3.728 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4cccc(F)c4)[C@H]3C2)cc1 ZINC000247958507 880095450 /nfs/dbraw/zinc/09/54/50/880095450.db2.gz UKWRYFQDPYCLDJ-TZYHBYERSA-N 1 0 382.479 3.904 40 0 GHABRO COc1ccc(CC[NH2+]C[C@H](O)CSc2ccc(Cl)cc2)cc1OC ZINC000005640330 204144547 /nfs/dbraw/zinc/14/45/47/204144547.db2.gz PQFKIFRCQOOMKL-INIZCTEOSA-N 1 0 381.925 3.643 40 0 GHABRO Cc1cc(C)n(-c2cccc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)c2)n1 ZINC000012185713 204379493 /nfs/dbraw/zinc/37/94/93/204379493.db2.gz MRBNOKQYRMLVCE-SFHVURJKSA-N 1 0 393.487 3.601 40 0 GHABRO Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000012238179 204387037 /nfs/dbraw/zinc/38/70/37/204387037.db2.gz HBLDAJPRXLCZEF-UHFFFAOYSA-N 1 0 385.458 3.887 40 0 GHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1C ZINC000012293540 204389380 /nfs/dbraw/zinc/38/93/80/204389380.db2.gz VDORHKNLOZMKFB-LEWJYISDSA-N 1 0 385.479 3.827 40 0 GHABRO Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3ncc4c(n3)CC[NH2+]C4)cc2c1 ZINC000019221322 204631793 /nfs/dbraw/zinc/63/17/93/204631793.db2.gz NLIKADHGHKLAQJ-GOSISDBHSA-N 1 0 376.460 3.544 40 0 GHABRO Cc1c(-c2cc(C(=O)NCC3([NH+](C)C)CCCC3)c3ccccc3n2)cnn1C ZINC000019716477 204674512 /nfs/dbraw/zinc/67/45/12/204674512.db2.gz PNAYAZXWGCLQPO-UHFFFAOYSA-N 1 0 391.519 3.548 40 0 GHABRO Cn1c2ccc(Cl)cc2nc1CCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019714227 204675900 /nfs/dbraw/zinc/67/59/00/204675900.db2.gz PSFMFFABHODOLQ-QGZVFWFLSA-N 1 0 388.943 3.636 40 0 GHABRO COc1cc(C[N@H+](CCCn2ccnc2)C[C@@H]2CC=CCC2)cc2c1OCO2 ZINC000036740231 205021958 /nfs/dbraw/zinc/02/19/58/205021958.db2.gz REUCGMCBZPRPFB-GOSISDBHSA-N 1 0 383.492 3.869 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)CC1 ZINC000072350397 205330144 /nfs/dbraw/zinc/33/01/44/205330144.db2.gz DSCOFTZNBXSECW-HXUWFJFHSA-N 1 0 395.522 3.859 40 0 GHABRO COc1cccc(-c2cccc([C@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)n2)c1 ZINC000072350382 205331412 /nfs/dbraw/zinc/33/14/12/205331412.db2.gz QUVOFFHKTBXGBD-FQEVSTJZSA-N 1 0 393.531 3.805 40 0 GHABRO COCCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)[nH+]2)C1 ZINC000072352032 205331901 /nfs/dbraw/zinc/33/19/01/205331901.db2.gz MIBJOJHDYKBNJC-QGZVFWFLSA-N 1 0 383.492 3.885 40 0 GHABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371465 205336257 /nfs/dbraw/zinc/33/62/57/205336257.db2.gz CNAICARGPPTTLQ-INIZCTEOSA-N 1 0 399.926 3.716 40 0 GHABRO Fc1ccc(-c2cccc(CN3CCn4c(nnc4[C@H]4CCC[NH2+]C4)C3)c2)cc1 ZINC000072372158 205336907 /nfs/dbraw/zinc/33/69/07/205336907.db2.gz CZMRAWBQHWDQRK-FQEVSTJZSA-N 1 0 391.494 3.567 40 0 GHABRO COc1ccc(Br)cc1CN1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000224084787 206012184 /nfs/dbraw/zinc/01/21/84/206012184.db2.gz FRJUIIYCYYSTGB-GVDBMIGSSA-N 1 0 391.353 3.788 40 0 GHABRO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224536655 206022323 /nfs/dbraw/zinc/02/23/23/206022323.db2.gz VHBDXJCQSGCAQN-UHFFFAOYSA-N 1 0 386.923 3.885 40 0 GHABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2)CC1 ZINC000225772739 206074724 /nfs/dbraw/zinc/07/47/24/206074724.db2.gz MBLILVHMWKLUAS-UHFFFAOYSA-N 1 0 391.487 3.924 40 0 GHABRO Cc1ncsc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)ccn1 ZINC000257257893 206168134 /nfs/dbraw/zinc/16/81/34/206168134.db2.gz KRNDBLGYNLRPNW-YNFBMLRVSA-N 1 0 396.560 3.991 40 0 GHABRO Cn1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257271101 206169376 /nfs/dbraw/zinc/16/93/76/206169376.db2.gz MWVZUWCCLIDRMA-QMDPOKHVSA-N 1 0 392.547 3.509 40 0 GHABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)C3)cc1 ZINC000306145074 206206865 /nfs/dbraw/zinc/20/68/65/206206865.db2.gz ZWZXMLHSRMZIBS-HSZRJFAPSA-N 1 0 391.446 3.866 40 0 GHABRO CN1CC[N@H+](Cc2cccs2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306130195 206198433 /nfs/dbraw/zinc/19/84/33/206198433.db2.gz IYZVJYSFPXWCKK-OAQYLSRUSA-N 1 0 389.528 3.947 40 0 GHABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000039767359 534812211 /nfs/dbraw/zinc/81/22/11/534812211.db2.gz VPRGAMFPDCQKPU-UHFFFAOYSA-N 1 0 391.559 3.551 40 0 GHABRO CC[NH+]1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn42)CCCC3)CC1 ZINC000004980627 535743191 /nfs/dbraw/zinc/74/31/91/535743191.db2.gz TVTMFMOZKAKMAD-UHFFFAOYSA-N 1 0 379.483 3.556 40 0 GHABRO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](C4CCCC4)C[C@H]2N(C)C3=O)c1 ZINC000514290379 560029293 /nfs/dbraw/zinc/02/92/93/560029293.db2.gz ZMQWJDWWNLCYLM-GGAORHGYSA-N 1 0 392.499 3.822 40 0 biogenic,in-vitro GHABRO CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328972191 570210139 /nfs/dbraw/zinc/21/01/39/570210139.db2.gz DVFRROVJLYENME-QGZVFWFLSA-N 1 0 388.515 3.689 40 0 GHABRO CCn1c2ccc(-c3cncn3C[C@@H](C)[NH+]3CCCCC3)cc2n(CC)c1=O ZINC000019719631 570210478 /nfs/dbraw/zinc/21/04/78/570210478.db2.gz NDAGXYWUFYUPQN-QGZVFWFLSA-N 1 0 381.524 3.581 40 0 GHABRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)n1 ZINC000096216208 570219484 /nfs/dbraw/zinc/21/94/84/570219484.db2.gz NMSZLXINRBPLBT-DEOSSOPVSA-N 1 0 388.515 4.000 40 0 GHABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)CCc3ccccc3)CC2)nn1C ZINC000100687638 570274654 /nfs/dbraw/zinc/27/46/54/570274654.db2.gz YZOIDRDVSXLSGP-SZPZYZBQSA-N 1 0 396.579 3.847 40 0 GHABRO O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000663733586 570276069 /nfs/dbraw/zinc/27/60/69/570276069.db2.gz FHQRSTPMLDDYOM-BHIFYINESA-N 1 0 397.469 3.567 40 0 GHABRO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000026781100 570408771 /nfs/dbraw/zinc/40/87/71/570408771.db2.gz BUIKNSFVFCAGFF-NRFANRHFSA-N 1 0 382.548 3.854 40 0 GHABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000222648261 570418754 /nfs/dbraw/zinc/41/87/54/570418754.db2.gz FUQVKMNSPWRRPH-UHFFFAOYSA-N 1 0 396.487 3.502 40 0 GHABRO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000026780889 570428635 /nfs/dbraw/zinc/42/86/35/570428635.db2.gz GZJBLBDEMLXBDI-GOSISDBHSA-N 1 0 381.303 3.555 40 0 GHABRO Cc1noc(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198656 570447213 /nfs/dbraw/zinc/44/72/13/570447213.db2.gz FNTZOFACFLKARG-QRICJDHISA-N 1 0 383.536 3.646 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223282869 570455743 /nfs/dbraw/zinc/45/57/43/570455743.db2.gz PBVQOIQIKOCRSG-SFTDATJTSA-N 1 0 392.528 3.876 40 0 GHABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccc(OC)c(OC)c2)C3)cc1 ZINC000012361612 570645592 /nfs/dbraw/zinc/64/55/92/570645592.db2.gz JVYFPZZCJBKULN-VXMMSVGHSA-N 1 0 397.515 3.832 40 0 GHABRO O=C(Nc1cccnc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000059437065 570653973 /nfs/dbraw/zinc/65/39/73/570653973.db2.gz COGFVXNBNGIQLW-UHFFFAOYSA-N 1 0 386.499 3.652 40 0 GHABRO Fc1ccc(C[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000012407909 570654823 /nfs/dbraw/zinc/65/48/23/570654823.db2.gz YYMXMNXPIYDNMJ-JKSUJKDBSA-N 1 0 383.393 3.617 40 0 GHABRO COc1ccc(CNC(=O)/C=C\c2ccc3[nH]cc(CC[NH+](C)C)c3c2)cc1 ZINC000013704073 570776632 /nfs/dbraw/zinc/77/66/32/570776632.db2.gz LBVZWEWTNUDWNS-XFFZJAGNSA-N 1 0 377.488 3.610 40 0 GHABRO COc1ccc(C)cc1CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257247828 570894205 /nfs/dbraw/zinc/89/42/05/570894205.db2.gz JASBZPIQGMDCNE-BSRJHKFKSA-N 1 0 381.520 3.564 40 0 GHABRO CC(C)C[C@@H](O)C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100398 570924807 /nfs/dbraw/zinc/92/48/07/570924807.db2.gz OWRHDWLJQHEVPC-IFMALSPDSA-N 1 0 376.516 3.580 40 0 GHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000226259317 570935173 /nfs/dbraw/zinc/93/51/73/570935173.db2.gz ZQYYVOLLHGRXCV-UHFFFAOYSA-N 1 0 393.318 3.970 40 0 GHABRO CNc1ncccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(C)=O ZINC000019017599 570954406 /nfs/dbraw/zinc/95/44/06/570954406.db2.gz XOVUIZCPUHDHGH-DNVJHFABSA-N 1 0 392.547 3.882 40 0 GHABRO Cc1c2cc(C)ccc2oc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019220489 570962744 /nfs/dbraw/zinc/96/27/44/570962744.db2.gz SRHBVUFWHMYBLU-NHJWOMDBSA-N 1 0 379.504 3.903 40 0 GHABRO O=C(NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1)C1CCOCC1 ZINC000019347908 570978708 /nfs/dbraw/zinc/97/87/08/570978708.db2.gz XLIDFXARBZZTET-UHFFFAOYSA-N 1 0 388.527 3.645 40 0 GHABRO c1ccc([C@H]2CC[NH2+][C@@H]3CCCCN(Cc4ccnc(N5CCCC5)n4)[C@H]23)cc1 ZINC000019373933 570981614 /nfs/dbraw/zinc/98/16/14/570981614.db2.gz OFCRZRWFCDFJSI-DNVJHFABSA-N 1 0 391.563 3.577 40 0 GHABRO O=C(NC1(C[NH+]2CCCCC2)CCCCC1)c1ccc(Cn2cccn2)cc1 ZINC000019406183 570983365 /nfs/dbraw/zinc/98/33/65/570983365.db2.gz CCWZAUJLTXJCET-UHFFFAOYSA-N 1 0 380.536 3.850 40 0 GHABRO CCCn1c(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)nc2ccccc21 ZINC000019526002 570997408 /nfs/dbraw/zinc/99/74/08/570997408.db2.gz LQSPPQLELYCQGG-GLDPYIMESA-N 1 0 390.531 3.879 40 0 GHABRO Cc1c(C(=O)NC2CC[NH+](C[C@@H](c3ccccc3)C3CCCC3)CC2)cnn1C ZINC000019553445 571001951 /nfs/dbraw/zinc/00/19/51/571001951.db2.gz FMABBGNGQOGHPE-QHCPKHFHSA-N 1 0 394.563 3.897 40 0 GHABRO Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019565605 571007371 /nfs/dbraw/zinc/00/73/71/571007371.db2.gz HROJASPKDHVBQA-SFHVURJKSA-N 1 0 394.450 3.636 40 0 GHABRO COc1ccc(C(=O)N2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cc1 ZINC000019584017 571014687 /nfs/dbraw/zinc/01/46/87/571014687.db2.gz AGRFFSKVFIEJQP-UHFFFAOYSA-N 1 0 394.515 3.973 40 0 GHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)Cc1cccc(OC)c1)Cc1ccccc1O2 ZINC000019591999 571019037 /nfs/dbraw/zinc/01/90/37/571019037.db2.gz LBDFCBSXHHOJHT-UHFFFAOYSA-N 1 0 394.515 3.560 40 0 GHABRO Cn1c2ccccc2nc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1=O ZINC000019666403 571027915 /nfs/dbraw/zinc/02/79/15/571027915.db2.gz OCAYHPIODBOPEH-UHFFFAOYSA-N 1 0 390.487 3.562 40 0 GHABRO Cc1c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C ZINC000019694087 571029521 /nfs/dbraw/zinc/02/95/21/571029521.db2.gz GVDLGBSHQQCDHO-LJQANCHMSA-N 1 0 390.535 3.631 40 0 GHABRO CC(=O)N1CCC[C@H]1c1cc(N2CCN(Cc3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000019698262 571030393 /nfs/dbraw/zinc/03/03/93/571030393.db2.gz SCAKULCMVNJWGC-QHCPKHFHSA-N 1 0 396.510 3.535 40 0 GHABRO C[C@@H]1CCCN(c2ncc(C[NH2+]CC3(c4cccc(F)c4)CCOCC3)cn2)C1 ZINC000019715676 571037208 /nfs/dbraw/zinc/03/72/08/571037208.db2.gz WZUOPWCXMKCAKE-GOSISDBHSA-N 1 0 398.526 3.690 40 0 GHABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(NCc2ccc(F)cc2)[nH]1 ZINC000019717928 571040842 /nfs/dbraw/zinc/04/08/42/571040842.db2.gz YGRZYUUPTZGRGM-UHFFFAOYSA-N 1 0 393.466 3.708 40 0 GHABRO CN1CCn2c(-c3cccc(F)c3)cnc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000096036969 571096579 /nfs/dbraw/zinc/09/65/79/571096579.db2.gz STDIBEGWDHOYAF-UHFFFAOYSA-N 1 0 391.494 3.521 40 0 GHABRO O=C(Cc1cccnc1)N1CCC2(CC1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096047333 571097210 /nfs/dbraw/zinc/09/72/10/571097210.db2.gz YLSWITUMHGXTQG-UHFFFAOYSA-N 1 0 381.495 3.668 40 0 GHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009062731 856410047 /nfs/dbraw/zinc/41/00/47/856410047.db2.gz YWAZNAXBTWIGRT-UHFFFAOYSA-N 1 0 384.495 3.795 40 0 GHABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NC(C)C)CC1 ZINC000009062920 856410055 /nfs/dbraw/zinc/41/00/55/856410055.db2.gz UEFRFRFADAXZRD-UHFFFAOYSA-N 1 0 393.531 3.984 40 0 GHABRO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211946 856421612 /nfs/dbraw/zinc/42/16/12/856421612.db2.gz MQBKVYMSVBLMOP-IZBJGVDFSA-N 1 0 398.576 3.534 40 0 GHABRO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)nn(Cc2ccccc2)c1C ZINC000019712478 856425793 /nfs/dbraw/zinc/42/57/93/856425793.db2.gz MOXBZGVGFJVFPP-DHIUTWEWSA-N 1 0 380.536 3.524 40 0 GHABRO CCc1nnsc1C(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019711670 856426328 /nfs/dbraw/zinc/42/63/28/856426328.db2.gz XKUJPICTEJOFHU-RLLQIKCJSA-N 1 0 398.576 3.801 40 0 GHABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000036067586 856440773 /nfs/dbraw/zinc/44/07/73/856440773.db2.gz AFWAYDLARAHQEL-YESZJQIVSA-N 1 0 394.581 3.669 40 0 GHABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000001462667 859731842 /nfs/dbraw/zinc/73/18/42/859731842.db2.gz JMYQPHVQYYQNOG-LOWVWBTDSA-N 1 0 378.257 3.730 40 0 GHABRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cc(F)ccc2OC)cc1OC ZINC000247874447 880078186 /nfs/dbraw/zinc/07/81/86/880078186.db2.gz GIGZBXOXQFJCKF-ROUUACIJSA-N 1 0 375.440 3.722 40 0 GHABRO COc1ccc2c(c1)C(=O)N[C@]1(CC[N@@H+]([C@H](C)Cc3ccccc3F)C1)CC2 ZINC000247956735 880093299 /nfs/dbraw/zinc/09/32/99/880093299.db2.gz OVBSVHJFZZWAJS-MWTRTKDXSA-N 1 0 382.479 3.586 40 0 GHABRO CCN(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000013564231 203794530 /nfs/dbraw/zinc/79/45/30/203794530.db2.gz GMSAYGHNSNKDBU-UHFFFAOYSA-N 1 0 390.531 3.615 40 0 GHABRO O=C(Nc1nnc(SCC[NH+]2CCCC2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000035316073 204168414 /nfs/dbraw/zinc/16/84/14/204168414.db2.gz WYHDYARJKBTKJT-UHFFFAOYSA-N 1 0 392.594 3.881 40 0 GHABRO COCCC[NH2+]Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000007360368 204240141 /nfs/dbraw/zinc/24/01/41/204240141.db2.gz CKDSNCSQKLILLO-UHFFFAOYSA-N 1 0 376.522 3.539 40 0 GHABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1F ZINC000008497882 204278260 /nfs/dbraw/zinc/27/82/60/204278260.db2.gz NIHDAKLZNZBEIH-LBPRGKRZSA-N 1 0 398.272 3.646 40 0 GHABRO CCc1nccn1Cc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OC ZINC000012147705 204376557 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570999650 /nfs/dbraw/zinc/99/96/50/570999650.db2.gz ZLRUIFLWONTSRR-FQEVSTJZSA-N 1 0 396.535 3.599 40 0 GHABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)C3CCC3)c3ccccn3)CC2)c1 ZINC000019564826 571007012 /nfs/dbraw/zinc/00/70/12/571007012.db2.gz SNNFGCXWAXBRQP-QHCPKHFHSA-N 1 0 393.531 3.960 40 0 GHABRO Cc1c(-c2csc(NC(=O)c3ccccc3C[NH+]3CCCC3)n2)cnn1C ZINC000019654658 571022851 /nfs/dbraw/zinc/02/28/51/571022851.db2.gz DZDSANWLUXUHJW-UHFFFAOYSA-N 1 0 381.505 3.700 40 0 GHABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C)n1)C2 ZINC000328964572 571047534 /nfs/dbraw/zinc/04/75/34/571047534.db2.gz BVXTXNWVBFGVKQ-UHFFFAOYSA-N 1 0 380.492 3.879 40 0 GHABRO CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC(C)C)[nH+]1 ZINC000328966289 571047627 /nfs/dbraw/zinc/04/76/27/571047627.db2.gz CKYNVYXMHPHNAP-UHFFFAOYSA-N 1 0 380.414 3.743 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)cc1 ZINC000096052260 571097636 /nfs/dbraw/zinc/09/76/36/571097636.db2.gz SMWXKWLOJMDKOT-NRFANRHFSA-N 1 0 380.488 3.563 40 0 GHABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000009062909 856410075 /nfs/dbraw/zinc/41/00/75/856410075.db2.gz FJRQFGYYXDIGKG-UHFFFAOYSA-N 1 0 395.522 3.695 40 0 GHABRO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CC(=O)Nc2ccccc21 ZINC000009063352 856410157 /nfs/dbraw/zinc/41/01/57/856410157.db2.gz LVVVFNIWZIQEHP-UHFFFAOYSA-N 1 0 383.879 3.537 40 0 GHABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](CC[C@H](C)c4ccccc4)C3)ncc2C1 ZINC000019455664 856421175 /nfs/dbraw/zinc/42/11/75/856421175.db2.gz YPRZMOMGEDIHOP-GHTZIAJQSA-N 1 0 392.547 3.754 40 0 GHABRO OCC[NH+]1CCC(c2ccnc(Nc3ncc(CC(F)(F)F)s3)c2)CC1 ZINC000143114662 857206722 /nfs/dbraw/zinc/20/67/22/857206722.db2.gz URKLAGPKUONBHA-UHFFFAOYSA-N 1 0 386.443 3.558 40 0 GHABRO COc1ccc(C[C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccnc(C)n2)cc1 ZINC000247967188 870248098 /nfs/dbraw/zinc/24/80/98/870248098.db2.gz RCPXHLIOHZPTAJ-ZRBLBEILSA-N 1 0 381.520 3.532 40 0 GHABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218515712 895768967 /nfs/dbraw/zinc/76/89/67/895768967.db2.gz KFKQMMJQLBWYJP-HSALFYBXSA-N 1 0 393.936 3.570 40 0 GHABRO C[C@@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022075810 230909201 /nfs/dbraw/zinc/90/92/01/230909201.db2.gz SYPSYSMYCFFQQI-CQSZACIVSA-N 1 0 383.319 3.632 40 0 GHABRO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000329067332 206244330 /nfs/dbraw/zinc/24/43/30/206244330.db2.gz YHUSPLHGOGBENG-UHFFFAOYSA-N 1 0 381.911 3.666 40 0 GHABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000328991922 206239732 /nfs/dbraw/zinc/23/97/32/206239732.db2.gz ITAOVVWWGIPLBZ-ZDUSSCGKSA-N 1 0 389.341 3.997 40 0 GHABRO CC[C@H](C)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329032284 206242715 /nfs/dbraw/zinc/24/27/15/206242715.db2.gz QOPIDPKFDGHGJW-LBPRGKRZSA-N 1 0 375.314 3.783 40 0 GHABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000035075055 206257152 /nfs/dbraw/zinc/25/71/52/206257152.db2.gz JQRIJBVNFRDMPG-SPHCQZIESA-N 1 0 386.580 3.791 40 0 GHABRO CCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(N)c2)cc1 ZINC000226263869 206258489 /nfs/dbraw/zinc/25/84/89/206258489.db2.gz HQNYBGIDFPQHTH-UHFFFAOYSA-N 1 0 396.535 3.842 40 0 GHABRO Cc1cc2oc(=O)cc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2cc1Cl ZINC000036632750 206305503 /nfs/dbraw/zinc/30/55/03/206305503.db2.gz ADLODLYFZNNLGR-GOEBONIOSA-N 1 0 396.874 3.536 40 0 GHABRO COc1ccc(C)cc1C[NH+]1CCC2(CC1)OCCc1cnc(C(C)C)nc12 ZINC000019133376 207103775 /nfs/dbraw/zinc/10/37/75/207103775.db2.gz NQZNRRSVMJQPOM-UHFFFAOYSA-N 1 0 381.520 3.981 40 0 GHABRO c1ccc([C@H]2C[N@@H+](Cc3cnc(N4CCOCC4)nc3)CC23CCCCC3)cc1 ZINC000019370016 207119951 /nfs/dbraw/zinc/11/99/51/207119951.db2.gz WRXDWGAAGZYAIE-JOCHJYFZSA-N 1 0 392.547 3.863 40 0 GHABRO COc1ccc2nc(C[N@@H+]3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@@H]4C3)ccc2c1 ZINC000019237735 207111096 /nfs/dbraw/zinc/11/10/96/207111096.db2.gz TWHHKEJIUDVDPO-VNZMSGEBSA-N 1 0 389.499 3.676 40 0 GHABRO CC1CC[NH+](CCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1 ZINC000019496898 207124687 /nfs/dbraw/zinc/12/46/87/207124687.db2.gz BPBSLPWVARZMNB-UHFFFAOYSA-N 1 0 380.536 3.645 40 0 GHABRO CCc1nn(C)c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)c1C ZINC000019521032 207127040 /nfs/dbraw/zinc/12/70/40/207127040.db2.gz DFFFWAFBEAALDX-KJXAQDMKSA-N 1 0 394.563 3.774 40 0 GHABRO COc1ncc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cn1 ZINC000019564411 207134152 /nfs/dbraw/zinc/13/41/52/207134152.db2.gz BXJCGDGMOXHONY-ZDUSSCGKSA-N 1 0 389.406 3.647 40 0 GHABRO Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019565608 207135835 /nfs/dbraw/zinc/13/58/35/207135835.db2.gz HROJASPKDHVBQA-GOSISDBHSA-N 1 0 394.450 3.636 40 0 GHABRO COc1ccccc1NC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000019571335 207137089 /nfs/dbraw/zinc/13/70/89/207137089.db2.gz NLMSVQPKDSOIAW-KRWDZBQOSA-N 1 0 392.459 3.710 40 0 GHABRO Cc1nn(C[C@@H](C)C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)c1Cl ZINC000019578147 207137423 /nfs/dbraw/zinc/13/74/23/207137423.db2.gz AFDRAOUHPXXHOV-CRAIPNDOSA-N 1 0 380.964 3.656 40 0 GHABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cn(C)c3ccccc23)n1 ZINC000019573778 207137579 /nfs/dbraw/zinc/13/75/79/207137579.db2.gz RHXNMXQTEQIVAK-HXUWFJFHSA-N 1 0 392.503 3.648 40 0 GHABRO CSCC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(C)nn(Cc2ccccc2)c1C ZINC000019578353 207138350 /nfs/dbraw/zinc/13/83/50/207138350.db2.gz WCJXMESUUHRYGC-FCHUYYIVSA-N 1 0 398.620 3.950 40 0 GHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2Cc1cnn(C)c1C ZINC000019553778 207132119 /nfs/dbraw/zinc/13/21/19/207132119.db2.gz SEHAXGDAVXIRJY-ZRBLBEILSA-N 1 0 398.526 3.627 40 0 GHABRO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+](Cc4ccnn4C)C3)nc2)c1 ZINC000019690296 207149042 /nfs/dbraw/zinc/14/90/42/207149042.db2.gz BZLDGRWJYQQDHW-HXUWFJFHSA-N 1 0 376.504 3.794 40 0 GHABRO Cc1nn(C(C)C)c(C)c1CN1CCN(c2cc(C)nc([C@@H]3CCC[NH2+]3)c2)CC1 ZINC000019697964 207149420 /nfs/dbraw/zinc/14/94/20/207149420.db2.gz KRDUGMMPSBSUOK-QFIPXVFZSA-N 1 0 396.583 3.531 40 0 GHABRO C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C3)ncc2C1 ZINC000019590644 207142188 /nfs/dbraw/zinc/14/21/88/207142188.db2.gz JRFANEOTSZEVPJ-LJQANCHMSA-N 1 0 398.510 3.761 40 0 GHABRO COc1ccc(S[C@@H](C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000020456210 207194690 /nfs/dbraw/zinc/19/46/90/207194690.db2.gz AFWAYDLARAHQEL-BBWFWOEESA-N 1 0 394.581 3.669 40 0 GHABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cccnc2N(C)C)C1 ZINC000072352304 208000861 /nfs/dbraw/zinc/00/08/61/208000861.db2.gz NDRZAQCYYMKJBU-OAHLLOKOSA-N 1 0 394.544 3.711 40 0 GHABRO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374832 208009946 /nfs/dbraw/zinc/00/99/46/208009946.db2.gz HYUPURVLKCUJLN-IBGZPJMESA-N 1 0 393.535 3.721 40 0 GHABRO CCn1ncc(C[NH+]2CCC(c3nccnc3Oc3cccnc3C)CC2)c1C ZINC000072384212 208013117 /nfs/dbraw/zinc/01/31/17/208013117.db2.gz GZFLFMQWDPUQGW-UHFFFAOYSA-N 1 0 392.507 3.877 40 0 GHABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](CC[C@@H](C)c4ccccc4)C3)ncc2C1 ZINC000072397273 208015033 /nfs/dbraw/zinc/01/50/33/208015033.db2.gz YPRZMOMGEDIHOP-NQIIRXRSSA-N 1 0 392.547 3.754 40 0 GHABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000096037079 208256767 /nfs/dbraw/zinc/25/67/67/208256767.db2.gz KCQZLTFQJJJPFE-UHFFFAOYSA-N 1 0 376.504 3.888 40 0 GHABRO O=S(=O)(c1ccccc1)N1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096071103 208259135 /nfs/dbraw/zinc/25/91/35/208259135.db2.gz HAMQJCMEXXUCPC-HXUWFJFHSA-N 1 0 390.936 3.627 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053433 208259470 /nfs/dbraw/zinc/25/94/70/208259470.db2.gz LABPRZYCFGZWBJ-SFHVURJKSA-N 1 0 391.515 3.651 40 0 GHABRO COc1ccc(NC(=O)c2ccc3ccc(N4CC[NH+](C(C)C)CC4)n3c2)cc1 ZINC000096156091 208279607 /nfs/dbraw/zinc/27/96/07/208279607.db2.gz WTWSLUWATXXNQQ-UHFFFAOYSA-N 1 0 392.503 3.731 40 0 GHABRO Cn1cc(C[NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cn1 ZINC000096099926 208263619 /nfs/dbraw/zinc/26/36/19/208263619.db2.gz VFIXBEIWOODIOF-UHFFFAOYSA-N 1 0 386.503 3.748 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4OC)C3)C2)c1 ZINC000096215586 208286001 /nfs/dbraw/zinc/28/60/01/208286001.db2.gz UHLXVUUQIDOCCO-QHCPKHFHSA-N 1 0 381.520 3.587 40 0 GHABRO O=C(Cc1ccc(F)cc1)N1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216398 208287369 /nfs/dbraw/zinc/28/73/69/208287369.db2.gz DHXZHRLSRDTDQR-DEOSSOPVSA-N 1 0 396.506 3.762 40 0 GHABRO CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000096627965 208321141 /nfs/dbraw/zinc/32/11/41/208321141.db2.gz VZGCDGGXDGHKPU-HXUWFJFHSA-N 1 0 380.488 3.643 40 0 GHABRO CCc1cc(=O)n2[n-]c([C@@H]3CC[N@H+](CC(C)(C)C[NH+]4CCC(C)CC4)C3)cc2n1 ZINC000100727502 208378061 /nfs/dbraw/zinc/37/80/61/208378061.db2.gz IMRWSKUHFQJPNZ-GOSISDBHSA-N 1 0 399.583 3.545 40 0 GHABRO O[C@@]1(c2ccc(Cl)cc2)CN(c2ccc3c(c2)OCO3)C2=[N+]1CCCCC2 ZINC000027525146 208917638 /nfs/dbraw/zinc/91/76/38/208917638.db2.gz BYCMUMOWVJSROE-OAQYLSRUSA-N 1 0 385.871 3.719 40 0 GHABRO CCCCc1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000225213351 208945229 /nfs/dbraw/zinc/94/52/29/208945229.db2.gz GGPNASSBKOUABG-UHFFFAOYSA-N 1 0 375.582 3.959 40 0 GHABRO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[NH+]2CCC(C)CC2)c1 ZINC000225436673 208952168 /nfs/dbraw/zinc/95/21/68/208952168.db2.gz LQGAFECNIFENGF-UHFFFAOYSA-N 1 0 383.945 3.535 40 0 GHABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1sccc1C)CC2 ZINC000253598363 209042477 /nfs/dbraw/zinc/04/24/77/209042477.db2.gz AAQZPPWDUWFVNV-IBGZPJMESA-N 1 0 376.566 3.544 40 0 GHABRO CC(C)[NH+]1CCC(c2cnc(N3C(=O)OC[C@H]3Cc3ccccc3)cn2)CC1 ZINC000257254035 209061431 /nfs/dbraw/zinc/06/14/31/209061431.db2.gz KBHFMSHRJHUWJW-LJQANCHMSA-N 1 0 380.492 3.632 40 0 GHABRO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@H+](Cc3cccc(C)c3)C2)nc1C ZINC000257266575 209065077 /nfs/dbraw/zinc/06/50/77/209065077.db2.gz MDPHYOBVGPQBTL-NRFANRHFSA-N 1 0 394.563 3.802 40 0 GHABRO Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)C3(C)CC[NH+](C)CC3)CC2)c1 ZINC000257302229 209070561 /nfs/dbraw/zinc/07/05/61/209070561.db2.gz SCAKRPFMMLAANV-UHFFFAOYSA-N 1 0 396.535 3.791 40 0 GHABRO O=C1CCC[C@]2(C[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2c2ccccc2F)N1 ZINC000257317590 209073878 /nfs/dbraw/zinc/07/38/78/209073878.db2.gz VKKLCAIABVQHQK-WMZHIEFXSA-N 1 0 377.463 3.945 40 0 GHABRO Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)n1 ZINC000257321732 209074659 /nfs/dbraw/zinc/07/46/59/209074659.db2.gz WCZROTXITIRNPH-QMDPOKHVSA-N 1 0 390.531 3.532 40 0 GHABRO C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)C[NH+]1CCCCC1 ZINC000257335969 209078421 /nfs/dbraw/zinc/07/84/21/209078421.db2.gz YMPRAJPLOINJQK-QFIPXVFZSA-N 1 0 385.483 3.728 40 0 GHABRO COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)n2)c1 ZINC000072350383 222237650 /nfs/dbraw/zinc/23/76/50/222237650.db2.gz QUVOFFHKTBXGBD-HXUWFJFHSA-N 1 0 393.531 3.805 40 0 GHABRO Cc1cccc(C2(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CCOCC2)c1 ZINC000072391800 222248667 /nfs/dbraw/zinc/24/86/67/222248667.db2.gz NVPGGWLTYURJRB-NRFANRHFSA-N 1 0 384.495 3.601 40 0 GHABRO CCC(=O)N[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395738 222252113 /nfs/dbraw/zinc/25/21/13/222252113.db2.gz WSXWOIRIHQJXFN-UXHICEINSA-N 1 0 397.544 3.743 40 0 GHABRO CCNc1cc2c(cc1NCC)N(CC)[C@H]1C=C(NCC)C(=[NH+]CC)C=C1N2 ZINC000100643752 535522730 /nfs/dbraw/zinc/52/27/30/535522730.db2.gz QEEUNSVZWHMOFB-NRFANRHFSA-N 1 0 382.556 3.832 40 0 GHABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766260 570217714 /nfs/dbraw/zinc/21/77/14/570217714.db2.gz CXPPTRHBLDVRAP-IBGZPJMESA-N 1 0 387.487 3.812 40 0 GHABRO CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929872 570379254 /nfs/dbraw/zinc/37/92/54/570379254.db2.gz POTUVEWKKVJUPS-JOCHJYFZSA-N 1 0 396.583 3.563 40 0 GHABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000222715739 570422120 /nfs/dbraw/zinc/42/21/20/570422120.db2.gz VZERXMDJZGQQOJ-SFHVURJKSA-N 1 0 394.515 3.856 40 0 GHABRO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000039749670 570447583 /nfs/dbraw/zinc/44/75/83/570447583.db2.gz ILRCOCCPMPYMES-UHFFFAOYSA-N 1 0 380.488 3.941 40 0 GHABRO COc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1C(C)C ZINC000223226071 570451103 /nfs/dbraw/zinc/45/11/03/570451103.db2.gz JHVACQCZZVNEJX-UHFFFAOYSA-N 1 0 382.570 3.671 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223262363 570454120 /nfs/dbraw/zinc/45/41/20/570454120.db2.gz JNMCWNVWAMEORQ-WOJBJXKFSA-N 1 0 383.565 3.532 40 0 GHABRO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000223446550 570466751 /nfs/dbraw/zinc/46/67/51/570466751.db2.gz MTFGJEWUCZZUTI-UHFFFAOYSA-N 1 0 380.514 3.640 40 0 GHABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)c1ccc(F)cc1F ZINC000035316100 570469846 /nfs/dbraw/zinc/46/98/46/570469846.db2.gz MOXNVEKJXZHUCS-UHFFFAOYSA-N 1 0 384.477 3.647 40 0 GHABRO Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224539820 570517135 /nfs/dbraw/zinc/51/71/35/570517135.db2.gz NTTTZTLAPHLEOO-UHFFFAOYSA-N 1 0 376.497 3.599 40 0 GHABRO O=C(NCCSCc1ccco1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038852079 570588460 /nfs/dbraw/zinc/58/84/60/570588460.db2.gz CBXBUCADOLGWSE-KRWDZBQOSA-N 1 0 376.497 3.680 40 0 GHABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Br)cc2F)C1 ZINC000225736958 570611272 /nfs/dbraw/zinc/61/12/72/570611272.db2.gz XTDOFVAPHSREEF-LBPRGKRZSA-N 1 0 388.350 3.997 40 0 GHABRO Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)C4CCOCC4)CC3)[nH+]c12 ZINC000012128029 570613095 /nfs/dbraw/zinc/61/30/95/570613095.db2.gz WZHKFHNAGBAITP-UHFFFAOYSA-N 1 0 398.551 3.986 40 0 GHABRO C[C@H](O)C[N@H+](Cc1cccn1-c1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000012147967 570617141 /nfs/dbraw/zinc/61/71/41/570617141.db2.gz GUPJAPMFTYHZPV-INIZCTEOSA-N 1 0 382.435 3.728 40 0 GHABRO Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000225792505 570617763 /nfs/dbraw/zinc/61/77/63/570617763.db2.gz JUEKJLRGWQUXQT-DHZHZOJOSA-N 1 0 398.510 3.923 40 0 GHABRO O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872262 570637582 /nfs/dbraw/zinc/63/75/82/570637582.db2.gz CMNSTJNZUBHNQH-UHFFFAOYSA-N 1 0 378.925 3.555 40 0 GHABRO COc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)c1 ZINC000012329710 570644123 /nfs/dbraw/zinc/64/41/23/570644123.db2.gz CVDLNXZIMYFDDI-UHFFFAOYSA-N 1 0 376.460 3.632 40 0 GHABRO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540333 570760350 /nfs/dbraw/zinc/76/03/50/570760350.db2.gz XGIDSXJSUHKJKN-UHFFFAOYSA-N 1 0 393.491 3.591 40 0 GHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)o2)c1 ZINC000007540659 570760355 /nfs/dbraw/zinc/76/03/55/570760355.db2.gz DSJXFRNYQCTZOE-UHFFFAOYSA-N 1 0 397.402 3.949 40 0 GHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257227701 570764043 /nfs/dbraw/zinc/76/40/43/570764043.db2.gz FQMSQDPUDWOMMW-LJQANCHMSA-N 1 0 399.510 3.987 40 0 GHABRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCCCCC1 ZINC000010111334 570805680 /nfs/dbraw/zinc/80/56/80/570805680.db2.gz WSUXTYLUGBNHSQ-UHFFFAOYSA-N 1 0 379.353 3.679 40 0 GHABRO COC(=O)[C@@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340197 570880544 /nfs/dbraw/zinc/88/05/44/570880544.db2.gz IHTDYAZQAUYTQQ-QMHWCDLVSA-N 1 0 381.447 3.534 40 0 GHABRO Cc1csc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)n1 ZINC000585103846 570929679 /nfs/dbraw/zinc/92/96/79/570929679.db2.gz DDZIJBCEKUZEAC-LJQANCHMSA-N 1 0 387.549 3.825 40 0 GHABRO COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)cc1 ZINC000585104187 570930183 /nfs/dbraw/zinc/93/01/83/570930183.db2.gz KKJLFSUVAXPZEG-NTKDMRAZSA-N 1 0 394.515 3.507 40 0 GHABRO Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503220 575369819 /nfs/dbraw/zinc/36/98/19/575369819.db2.gz YUYQGQITWSFIOW-ZWKOTPCHSA-N 1 0 390.483 3.528 40 0 biogenic,in-vitro GHABRO COc1ccc(-c2nc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)[nH]c2C(N)=O)cc1 ZINC000019696988 856423848 /nfs/dbraw/zinc/42/38/48/856423848.db2.gz BQBFSTQNXFKPLV-INIZCTEOSA-N 1 0 394.519 3.720 40 0 GHABRO Cc1nccn1CCC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@H+]2C ZINC000019712966 856427465 /nfs/dbraw/zinc/42/74/65/856427465.db2.gz ZSFNCPCRCUFLDK-ZLNRFVROSA-N 1 0 394.563 3.668 40 0 GHABRO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C[C@H](C)c3ccccc3)ncc2C1 ZINC000247921832 880087415 /nfs/dbraw/zinc/08/74/15/880087415.db2.gz HJSUJDQVXKNDCS-JTSKRJEESA-N 1 0 378.520 3.712 40 0 GHABRO Cc1cccnc1[C@]1(O)CC[C@@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]21 ZINC000247935204 880089711 /nfs/dbraw/zinc/08/97/11/880089711.db2.gz RWQSLEIHKWWOHZ-ZOCZFRKYSA-N 1 0 386.879 3.502 40 0 GHABRO CC(C)NC(=O)OC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000008635309 291131138 /nfs/dbraw/zinc/13/11/38/291131138.db2.gz ISTPNCSUOFBTJM-OTWHNJEPSA-N 1 0 388.556 3.780 40 0 biogenic,in-vitro GHABRO COc1cc2c(cc1OC)CN(c1cc(C(C)C)[nH+]c(NC3CCCC3)n1)CC2 ZINC000328973164 206238851 /nfs/dbraw/zinc/23/88/51/206238851.db2.gz DZOONHQLGUNZNF-UHFFFAOYSA-N 1 0 396.535 3.956 40 0 GHABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000329037121 206242943 /nfs/dbraw/zinc/24/29/43/206242943.db2.gz RMIBDMMNKRAKMG-ZDUSSCGKSA-N 1 0 389.341 3.997 40 0 GHABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000027666050 206253516 /nfs/dbraw/zinc/25/35/16/206253516.db2.gz WVHQPKDRIRFTHH-JNCPLXCYSA-N 1 0 379.585 3.594 40 0 GHABRO C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1O)CNC3=[NH2+])O2 ZINC000252516344 206280910 /nfs/dbraw/zinc/28/09/10/206280910.db2.gz SDIGNZADDDFEPI-OPLSMLHISA-N 1 0 384.520 3.728 40 0 biogenic,in-vitro GHABRO O=C1C[C@@H]([NH+]2CCC(CCc3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 ZINC000015080856 207046299 /nfs/dbraw/zinc/04/62/99/207046299.db2.gz USCPGRLDEUWYLL-JOCHJYFZSA-N 1 0 394.490 3.798 40 0 GHABRO Cc1nn(-c2ccccc2C)c(C)c1CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000019237566 207110426 /nfs/dbraw/zinc/11/04/26/207110426.db2.gz ZCLSWGGHQOEZGM-OAQYLSRUSA-N 1 0 394.563 3.817 40 0 GHABRO COc1c(C)cccc1C[NH+]1CCC([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019235923 207109000 /nfs/dbraw/zinc/10/90/00/207109000.db2.gz KOGBJVLSLOBOPB-JOCHJYFZSA-N 1 0 393.531 3.878 40 0 GHABRO Cn1ccnc1[C@@H](NC(=O)c1ccoc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000019291219 207112436 /nfs/dbraw/zinc/11/24/36/207112436.db2.gz GPXOXFUFCWVVGW-FQEVSTJZSA-N 1 0 396.466 3.658 40 0 GHABRO O=C(Nc1ccccc1C[NH+]1CCCCCC1)c1ccccc1Cn1cncn1 ZINC000019349823 207118141 /nfs/dbraw/zinc/11/81/41/207118141.db2.gz XNXZAFXHJOUHAK-UHFFFAOYSA-N 1 0 389.503 3.955 40 0 GHABRO C[C@@H]1CCC[N@H+](CCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 ZINC000019496556 207125707 /nfs/dbraw/zinc/12/57/07/207125707.db2.gz VLSBJEDRSOHLOX-QGZVFWFLSA-N 1 0 380.536 3.645 40 0 GHABRO CCc1nn(C)c(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@@H+]3C)c1C ZINC000019521025 207126503 /nfs/dbraw/zinc/12/65/03/207126503.db2.gz CPIMECVIZGCCBN-KJXAQDMKSA-N 1 0 394.563 3.774 40 0 GHABRO CCCN1CC[N@H+](CC2CC2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503334 207126946 /nfs/dbraw/zinc/12/69/46/207126946.db2.gz FJPOMCPEMSPQBT-JOCHJYFZSA-N 1 0 377.532 3.872 40 0 GHABRO Cc1c2ccccc2oc1C(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019566085 207136460 /nfs/dbraw/zinc/13/64/60/207136460.db2.gz UJJMATZPDKYFFH-UHFFFAOYSA-N 1 0 390.487 3.539 40 0 GHABRO Cc1nn(C[C@@H](C)C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c(C)c1Cl ZINC000019578153 207137632 /nfs/dbraw/zinc/13/76/32/207137632.db2.gz AFDRAOUHPXXHOV-QAPCUYQASA-N 1 0 380.964 3.656 40 0 GHABRO Cc1c(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)cnn1C ZINC000019689379 207149118 /nfs/dbraw/zinc/14/91/18/207149118.db2.gz JGOIWRUGZFACPZ-FQEVSTJZSA-N 1 0 376.508 3.589 40 0 GHABRO CN1CC[N@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019589485 207141249 /nfs/dbraw/zinc/14/12/49/207141249.db2.gz PMNWWGNYOVQZPY-OAQYLSRUSA-N 1 0 391.540 3.943 40 0 GHABRO COc1cccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)c1OC ZINC000019589262 207142367 /nfs/dbraw/zinc/14/23/67/207142367.db2.gz UAIWAPLODGBVST-SFHLNBCPSA-N 1 0 398.478 3.545 40 0 GHABRO Cc1cn2c(ncc(C(=O)Nc3cccc(C[NH+]4CCC(C)CC4)c3)c2=O)s1 ZINC000019717071 207153576 /nfs/dbraw/zinc/15/35/76/207153576.db2.gz BSTGMLIHNSKTPM-UHFFFAOYSA-N 1 0 396.516 3.549 40 0 GHABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3ccccc3Cl)cc2)CC1 ZINC000026792815 207319969 /nfs/dbraw/zinc/31/99/69/207319969.db2.gz NXYAINAAJSDHOX-UHFFFAOYSA-N 1 0 389.952 3.964 40 0 GHABRO Nc1cc(-c2c[nH]nc2[C@@H]2CCCC[N@@H+]2CCOCc2ccccc2)ccn1 ZINC000072357470 208000117 /nfs/dbraw/zinc/00/01/17/208000117.db2.gz LACCEMMZDYVVJB-FQEVSTJZSA-N 1 0 377.492 3.798 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072359851 208003167 /nfs/dbraw/zinc/00/31/67/208003167.db2.gz SDBBHQBOYXIBCW-GOSISDBHSA-N 1 0 398.938 3.845 40 0 GHABRO C[NH+](C)CCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000082230490 208084400 /nfs/dbraw/zinc/08/44/00/208084400.db2.gz PPMFMAOFTZHACB-FSSNKTKLSA-N 1 0 389.580 3.562 40 0 in-vitro GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053432 208258642 /nfs/dbraw/zinc/25/86/42/208258642.db2.gz LABPRZYCFGZWBJ-GOSISDBHSA-N 1 0 391.515 3.651 40 0 GHABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC000096052984 208259298 /nfs/dbraw/zinc/25/92/98/208259298.db2.gz ZUTNPKCCPRESHA-GOSISDBHSA-N 1 0 393.531 3.981 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053414 208259405 /nfs/dbraw/zinc/25/94/05/208259405.db2.gz MYNPGJIGAMUWPK-KRWDZBQOSA-N 1 0 380.488 3.849 40 0 GHABRO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cccc(OC)c4)C3)C2)c1 ZINC000096215659 208286926 /nfs/dbraw/zinc/28/69/26/208286926.db2.gz RCWULEUEKRFAIO-XMMPIXPASA-N 1 0 394.515 3.832 40 0 GHABRO COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750252 208380953 /nfs/dbraw/zinc/38/09/53/208380953.db2.gz ZFKFRZUOEWGLBT-QEEYODRMSA-N 1 0 387.911 3.980 40 0 GHABRO Cc1cc(C)c2cc(CN(CC[NH+](C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000001371233 208494588 /nfs/dbraw/zinc/49/45/88/208494588.db2.gz XXINRUNYHJPPHA-UHFFFAOYSA-N 1 0 398.551 3.551 40 0 GHABRO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@H+](Cc3cnn(C(C)C)c3)C1)C2 ZINC000306138355 209103837 /nfs/dbraw/zinc/10/38/37/209103837.db2.gz RVUPTIZMUJYJRE-HSZRJFAPSA-N 1 0 391.519 3.785 40 0 GHABRO COc1cccc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306134576 209102862 /nfs/dbraw/zinc/10/28/62/209102862.db2.gz NSNAJGBSDAMFQW-DEOSSOPVSA-N 1 0 386.499 3.649 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306126158 209098332 /nfs/dbraw/zinc/09/83/32/209098332.db2.gz DONRQFITDPYLNX-XMMPIXPASA-N 1 0 386.499 3.649 40 0 GHABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306130567 209099303 /nfs/dbraw/zinc/09/93/03/209099303.db2.gz JJWBKRWQHONUSQ-FQEVSTJZSA-N 1 0 384.487 3.874 40 0 GHABRO Cc1ccsc1C[N@@H+]1C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306125905 209097398 /nfs/dbraw/zinc/09/73/98/209097398.db2.gz DFIISWSQUMNZNS-UXHICEINSA-N 1 0 377.513 3.940 40 0 GHABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)COc1ccccc1 ZINC000257252967 209060527 /nfs/dbraw/zinc/06/05/27/209060527.db2.gz JWYLGEDGFHKGKD-ACUMWEPGSA-N 1 0 390.527 3.808 40 0 GHABRO Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257265241 209063571 /nfs/dbraw/zinc/06/35/71/209063571.db2.gz LXVNDBRKDGXFDH-UWJYYQICSA-N 1 0 384.549 3.993 40 0 GHABRO COc1cc(C)ccc1C[NH+]1CCC(c2cncc(Nc3ncccn3)n2)CC1 ZINC000257287645 209068888 /nfs/dbraw/zinc/06/88/88/209068888.db2.gz PQXZYTZNXCZLDD-UHFFFAOYSA-N 1 0 390.491 3.707 40 0 GHABRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000113954735 136192100 /nfs/dbraw/zinc/19/21/00/136192100.db2.gz VKYFAFVXHIIOQH-IBGZPJMESA-N 1 0 381.520 3.770 40 0 GHABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCC1 ZINC000072348785 222234194 /nfs/dbraw/zinc/23/41/94/222234194.db2.gz DCKGEGBVFXDZEI-LJQANCHMSA-N 1 0 381.495 3.613 40 0 GHABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccccc3F)n2)CC1)N1CCCC1 ZINC000072348780 222234654 /nfs/dbraw/zinc/23/46/54/222234654.db2.gz BBHDVLIHHYWNIF-UHFFFAOYSA-N 1 0 381.495 3.613 40 0 GHABRO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113955309 535817781 /nfs/dbraw/zinc/81/77/81/535817781.db2.gz GMIBSQZRFNPFJG-HXUWFJFHSA-N 1 0 387.911 3.888 40 0 GHABRO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3CC3CCCCC3)n2)ccn1 ZINC000035424768 560080534 /nfs/dbraw/zinc/08/05/34/560080534.db2.gz QKFQCEOSDIEQGK-SFHVURJKSA-N 1 0 386.496 3.874 40 0 biogenic,in-vitro GHABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)Cc4ccsc4)C3)C2)c1 ZINC000012476064 570233110 /nfs/dbraw/zinc/23/31/10/570233110.db2.gz RJBCUWOCQGBJNU-QFIPXVFZSA-N 1 0 384.545 3.814 40 0 GHABRO C[NH+]1CCN(c2ccc([C@@H]3CCCCN3C(=O)OCc3ccccc3)cn2)CC1 ZINC000072216552 570317455 /nfs/dbraw/zinc/31/74/55/570317455.db2.gz SIMJYTHVZIAWTF-NRFANRHFSA-N 1 0 394.519 3.697 40 0 GHABRO O=C(NCCCN1CCc2ccccc21)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039762219 570446079 /nfs/dbraw/zinc/44/60/79/570446079.db2.gz QOIZMOLIGAIXKM-UHFFFAOYSA-N 1 0 395.522 3.607 40 0 GHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039772499 570446564 /nfs/dbraw/zinc/44/65/64/570446564.db2.gz XZWITPCGTRZEAJ-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039773352 570446592 /nfs/dbraw/zinc/44/65/92/570446592.db2.gz PXKMTVPQENZOLT-UHFFFAOYSA-N 1 0 386.879 3.962 40 0 GHABRO CSc1nnc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)s1 ZINC000224446901 570513608 /nfs/dbraw/zinc/51/36/08/570513608.db2.gz ULOZJVNKZSQMFW-UHFFFAOYSA-N 1 0 382.942 3.764 40 0 GHABRO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000225400338 570569885 /nfs/dbraw/zinc/56/98/85/570569885.db2.gz RTVGRDPGUNWEKP-UHFFFAOYSA-N 1 0 383.945 3.679 40 0 GHABRO Cc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1N1CCCC1=O ZINC000225437599 570574222 /nfs/dbraw/zinc/57/42/22/570574222.db2.gz OAUHSWXKJKHSKZ-UHFFFAOYSA-N 1 0 388.581 3.530 40 0 GHABRO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834521 570585989 /nfs/dbraw/zinc/58/59/89/570585989.db2.gz OFEAXHRVZLDPFV-MRXNPFEDSA-N 1 0 386.879 3.977 40 0 GHABRO COC(=O)c1cc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1Cl ZINC000225729462 570609763 /nfs/dbraw/zinc/60/97/63/570609763.db2.gz PYXSAZQSIVXRMX-ZIAGYGMSSA-N 1 0 397.972 3.781 40 0 GHABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225734244 570610727 /nfs/dbraw/zinc/61/07/27/570610727.db2.gz XZMHLHPYGQVPON-IBGZPJMESA-N 1 0 392.543 3.897 40 0 GHABRO CCOc1cc2c(cc1C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@@H](C)O)CCC2 ZINC000012185862 570620328 /nfs/dbraw/zinc/62/03/28/570620328.db2.gz YRDZHTPYZYPQOQ-MRXNPFEDSA-N 1 0 383.488 3.686 40 0 GHABRO CCCO[C@@H]1CCC[N@H+](Cc2c(C)n(CC(=O)NC3CC3)c3ccccc23)C1 ZINC000012241474 570629999 /nfs/dbraw/zinc/62/99/99/570629999.db2.gz QZAKHXKXUVIXHR-LJQANCHMSA-N 1 0 383.536 3.619 40 0 GHABRO COc1ccc(C2(O)CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012292317 570633269 /nfs/dbraw/zinc/63/32/69/570633269.db2.gz MKKNNVCKFOYGCE-HSZRJFAPSA-N 1 0 377.484 3.865 40 0 GHABRO Fc1cccc(-c2cc3nc4c(c(N[C@H]5C[NH+]6CCC5CC6)n3n2)CCCC4)c1 ZINC000004980760 570655964 /nfs/dbraw/zinc/65/59/64/570655964.db2.gz LXPSYXAUJILCMQ-NRFANRHFSA-N 1 0 391.494 3.920 40 0 GHABRO O=c1cc(-c2cccc3ccccc32)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000013639807 570863000 /nfs/dbraw/zinc/86/30/00/570863000.db2.gz XRRVFIVIOGJMJG-UHFFFAOYSA-N 1 0 396.494 3.912 40 0 GHABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]2CCCO2)cc1OC ZINC000013994227 570868770 /nfs/dbraw/zinc/86/87/70/570868770.db2.gz DWIDSLRLIPOLED-FQEVSTJZSA-N 1 0 383.488 3.820 40 0 GHABRO O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CC1 ZINC000072337775 570880014 /nfs/dbraw/zinc/88/00/14/570880014.db2.gz WLCJOHSPEKBAIN-QAPCUYQASA-N 1 0 391.487 3.901 40 0 GHABRO COc1cccc(CNC(=O)c2c(F)cccc2NCC[NH+]2CCCCC2)c1 ZINC000066089363 570893557 /nfs/dbraw/zinc/89/35/57/570893557.db2.gz YTEFETPHPTVWSO-UHFFFAOYSA-N 1 0 385.483 3.662 40 0 GHABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc(F)c1)CC2 ZINC000585099858 570926452 /nfs/dbraw/zinc/92/64/52/570926452.db2.gz KUFZRNWALZYMJF-JOCHJYFZSA-N 1 0 385.483 3.978 40 0 GHABRO CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502160 570927406 /nfs/dbraw/zinc/92/74/06/570927406.db2.gz RIMQNQBIBZQPSS-NRFANRHFSA-N 1 0 382.556 3.513 40 0 GHABRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC000585103652 570929047 /nfs/dbraw/zinc/92/90/47/570929047.db2.gz FDAQCXRUASOYPV-QHCPKHFHSA-N 1 0 382.479 3.698 40 0 GHABRO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)c1 ZINC000585104904 570934208 /nfs/dbraw/zinc/93/42/08/570934208.db2.gz WQSKCFWTFQGJIK-QFIPXVFZSA-N 1 0 393.531 3.533 40 0 GHABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4cccc(OC)c4OC)C3)n2)cc1 ZINC000585172037 570997300 /nfs/dbraw/zinc/99/73/00/570997300.db2.gz CBXORDLPEJAPDG-KRWDZBQOSA-N 1 0 395.459 3.752 40 0 GHABRO COc1ccc2c(c1)CCN(c1cc(N[C@@H](CO)C(C)C)[nH+]c(C(C)C)n1)C2 ZINC000328969490 571048042 /nfs/dbraw/zinc/04/80/42/571048042.db2.gz DERPEVHICBGUQD-IBGZPJMESA-N 1 0 384.524 3.600 40 0 GHABRO Cc1ncc(C[N@@H+]2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)s1 ZINC000019713908 856428088 /nfs/dbraw/zinc/42/80/88/856428088.db2.gz RJGMBPBHARKAHI-LSTHTHJFSA-N 1 0 387.524 3.835 40 0 GHABRO CC[C@H](C)Nc1nc(NCc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328965971 529702715 /nfs/dbraw/zinc/70/27/15/529702715.db2.gz CHOKCPVPUGWSIY-LBPRGKRZSA-N 1 0 375.314 3.783 40 0 GHABRO C[NH+](C)CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)n1 ZINC000328984081 206239921 /nfs/dbraw/zinc/23/99/21/206239921.db2.gz HKMUZGNXLXZOLH-UHFFFAOYSA-N 1 0 397.470 3.527 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)n1 ZINC000329004414 206240867 /nfs/dbraw/zinc/24/08/67/206240867.db2.gz KSGMRXUPIMCBHC-UHFFFAOYSA-N 1 0 380.323 3.612 40 0 GHABRO CC(C)c1ccc(NC(=O)C[NH+]2CCC(n3nnc4ccccc43)CC2)cc1 ZINC000004968196 206260040 /nfs/dbraw/zinc/26/00/40/206260040.db2.gz IZKNLFRYNMFVST-UHFFFAOYSA-N 1 0 377.492 3.830 40 0 GHABRO COc1ccccc1/C=C/C[NH+]1CCC([C@H](NC(C)=O)c2ccccn2)CC1 ZINC000019020423 207101875 /nfs/dbraw/zinc/10/18/75/207101875.db2.gz IIGDYEIWXITOIS-WCYCAPIHSA-N 1 0 379.504 3.693 40 0 GHABRO COc1cc(C)ccc1OCC(=O)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019134198 207105148 /nfs/dbraw/zinc/10/51/48/207105148.db2.gz DVHUYMPFSRLVMX-UHFFFAOYSA-N 1 0 379.460 3.665 40 0 GHABRO Cc1nc([C@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2ccc(F)cc2)cc(=O)[nH]1 ZINC000019285167 207110607 /nfs/dbraw/zinc/11/06/07/207110607.db2.gz ZSNOYKJJTYAAEC-FQEVSTJZSA-N 1 0 376.435 3.772 40 0 GHABRO Cc1ccc2oc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)cc2c1 ZINC000019221303 207106953 /nfs/dbraw/zinc/10/69/53/207106953.db2.gz YLOADJWRNDPFKS-MRXNPFEDSA-N 1 0 390.487 3.539 40 0 GHABRO Cc1ccc2scc(CC(=O)N3CCc4nc([C@H]5CCC[NH2+]5)ncc4C3)c2c1 ZINC000019220658 207107382 /nfs/dbraw/zinc/10/73/82/207107382.db2.gz IJBUUTZHSTZRDT-LJQANCHMSA-N 1 0 392.528 3.552 40 0 GHABRO Cc1ccccc1-c1ncc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)cn1 ZINC000019237548 207111614 /nfs/dbraw/zinc/11/16/14/207111614.db2.gz KMQBMOCXFHMHFY-VWLOTQADSA-N 1 0 398.510 3.773 40 0 GHABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)[C@H]2CC=CCC2)CC1 ZINC000019288898 207113738 /nfs/dbraw/zinc/11/37/38/207113738.db2.gz BFQTUVRUCYYKSO-SFHVURJKSA-N 1 0 396.510 3.663 40 0 GHABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000019369039 207117736 /nfs/dbraw/zinc/11/77/36/207117736.db2.gz OMUYDJZYUGVSLD-UXHICEINSA-N 1 0 392.528 3.921 40 0 GHABRO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285537 207110703 /nfs/dbraw/zinc/11/07/03/207110703.db2.gz GPILUASWEBKLRA-VQTJNVASSA-N 1 0 393.462 3.609 40 0 GHABRO Cc1nc([C@@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2ccccc2F)cc(=O)[nH]1 ZINC000019285175 207111075 /nfs/dbraw/zinc/11/10/75/207111075.db2.gz ZGDJDFAQOROHCJ-HXUWFJFHSA-N 1 0 376.435 3.772 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cc1 ZINC000019496742 207124489 /nfs/dbraw/zinc/12/44/89/207124489.db2.gz OKKZCTHYPYCASA-LJQANCHMSA-N 1 0 397.519 3.935 40 0 GHABRO CCc1noc(C)c1C(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019521259 207127024 /nfs/dbraw/zinc/12/70/24/207127024.db2.gz OSZPPCCPFFNRAG-UHFFFAOYSA-N 1 0 397.519 3.823 40 0 GHABRO Clc1cc2c(cc1C[N@@H+]1CC[C@H](c3nc(-c4ccncc4)no3)C1)OCO2 ZINC000019405880 207121764 /nfs/dbraw/zinc/12/17/64/207121764.db2.gz DTIFUGCUOAGPNJ-ZDUSSCGKSA-N 1 0 384.823 3.503 40 0 GHABRO Cc1cc(C)n(-c2cccc(CN(CCC[NH+](C)C)Cc3ccccn3)c2)n1 ZINC000019574777 207138755 /nfs/dbraw/zinc/13/87/55/207138755.db2.gz KXOOAVPYBRNVRZ-UHFFFAOYSA-N 1 0 377.536 3.838 40 0 GHABRO Cc1noc(C)c1C(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019580166 207139926 /nfs/dbraw/zinc/13/99/26/207139926.db2.gz VRHDFWNSJCOEIL-UHFFFAOYSA-N 1 0 383.492 3.569 40 0 GHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CC[N@H+](CC2CC2)C1 ZINC000019591652 207142868 /nfs/dbraw/zinc/14/28/68/207142868.db2.gz WHNCHZXUDOFINP-XMMPIXPASA-N 1 0 378.516 3.753 40 0 GHABRO COc1ccc(-c2nc(C(=O)Nc3ccnn3C3CC[NH+](C)CC3)cs2)cc1 ZINC000019660246 207145759 /nfs/dbraw/zinc/14/57/59/207145759.db2.gz UKZRRPASNMMKIW-UHFFFAOYSA-N 1 0 397.504 3.534 40 0 GHABRO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000031666967 207383432 /nfs/dbraw/zinc/38/34/32/207383432.db2.gz XCDBQPRZWHNLCS-QHCPKHFHSA-N 1 0 376.500 3.710 40 0 GHABRO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCC1 ZINC000072358555 208003798 /nfs/dbraw/zinc/00/37/98/208003798.db2.gz KBZCOASWSXORCP-QGZVFWFLSA-N 1 0 384.911 3.599 40 0 GHABRO O=C(C[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCCC1 ZINC000072359368 208004151 /nfs/dbraw/zinc/00/41/51/208004151.db2.gz LTANTOJZKUASCW-SFHVURJKSA-N 1 0 398.938 3.989 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 ZINC000072363012 208006505 /nfs/dbraw/zinc/00/65/05/208006505.db2.gz ZNFQJHFWODEQLN-IBGZPJMESA-N 1 0 394.519 3.768 40 0 GHABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398568 208014574 /nfs/dbraw/zinc/01/45/74/208014574.db2.gz OEQRTXAFJKWUBA-UGKGYDQZSA-N 1 0 393.531 3.878 40 0 GHABRO CN1CCn2c(-c3cccc(F)c3)cnc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000096145039 208273972 /nfs/dbraw/zinc/27/39/72/208273972.db2.gz VYGFKIYZIRRXEJ-UHFFFAOYSA-N 1 0 391.494 3.521 40 0 GHABRO CC(C)n1cnc(-c2cc(C(=O)N3CCC([NH+](C)C)CC3)c3ccccn23)c1 ZINC000096154896 208278155 /nfs/dbraw/zinc/27/81/55/208278155.db2.gz MDGCWYBTBDUQGA-UHFFFAOYSA-N 1 0 379.508 3.550 40 0 GHABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cccc(C)n4)C3)CC2)c1 ZINC000096046641 208255753 /nfs/dbraw/zinc/25/57/53/208255753.db2.gz OPAJMOLGAWGSPA-UHFFFAOYSA-N 1 0 379.504 3.527 40 0 GHABRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)CC3)CC2)cc1 ZINC000096047289 208256136 /nfs/dbraw/zinc/25/61/36/208256136.db2.gz LROCNQDMTDBHBE-UHFFFAOYSA-N 1 0 385.533 3.670 40 0 GHABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244644 208294925 /nfs/dbraw/zinc/29/49/25/208294925.db2.gz NHSKKNMUMCHBHR-HSZRJFAPSA-N 1 0 390.487 3.731 40 0 GHABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244645 208296591 /nfs/dbraw/zinc/29/65/91/208296591.db2.gz NHSKKNMUMCHBHR-QHCPKHFHSA-N 1 0 390.487 3.731 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2N1Cc1ccccc1 ZINC000306138001 209103987 /nfs/dbraw/zinc/10/39/87/209103987.db2.gz RMKDPPYETDNTHO-FGZHOGPDSA-N 1 0 375.447 3.709 40 0 GHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)N1CCCCC1 ZINC000015673315 208795024 /nfs/dbraw/zinc/79/50/24/208795024.db2.gz VXXKGJZMRNEQRQ-ROUUACIJSA-N 1 0 385.483 3.652 40 0 biogenic,in-vitro GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000223288908 208897814 /nfs/dbraw/zinc/89/78/14/208897814.db2.gz DRLCVYZRBBNDIO-PMACEKPBSA-N 1 0 383.565 3.532 40 0 GHABRO COc1ccccc1C[NH2+]C[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 ZINC000096269362 209013535 /nfs/dbraw/zinc/01/35/35/209013535.db2.gz VLWHHAMUZDRKNA-SFHVURJKSA-N 1 0 383.879 3.901 40 0 biogenic,in-vitro GHABRO Clc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2ccc4c(c2)OCO4)OC3)cc1 ZINC000096296358 209014641 /nfs/dbraw/zinc/01/46/41/209014641.db2.gz MKULOZXTGDMXKN-KRWDZBQOSA-N 1 0 397.862 3.621 40 0 biogenic,in-vitro GHABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cccnn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257260885 209060880 /nfs/dbraw/zinc/06/08/80/209060880.db2.gz LEXJXQILYPMCLN-QMDPOKHVSA-N 1 0 390.531 3.565 40 0 GHABRO Cn1ccnc1C[NH+]1CCC2(CC1)CO[C@@H]1c3ccc(O)cc3OC(C)(C)[C@H]1C2 ZINC000257265224 209063049 /nfs/dbraw/zinc/06/30/49/209063049.db2.gz LXUKIGKJEAZNFN-GHTZIAJQSA-N 1 0 397.519 3.657 40 0 GHABRO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257275664 209067517 /nfs/dbraw/zinc/06/75/17/209067517.db2.gz NQHXEHBNVJQTIV-CQSZACIVSA-N 1 0 384.480 3.522 40 0 GHABRO COc1cccc2c1OC1(CC[NH+](Cc3cccnc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257283968 209069515 /nfs/dbraw/zinc/06/95/15/209069515.db2.gz PARPKIARRDHJNC-PZJWPPBQSA-N 1 0 380.488 3.985 40 0 GHABRO COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006547432 533406572 /nfs/dbraw/zinc/40/65/72/533406572.db2.gz JPBIISCFWWZHLZ-UHFFFAOYSA-N 1 0 383.517 3.726 40 0 GHABRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000113954738 136192130 /nfs/dbraw/zinc/19/21/30/136192130.db2.gz VKYFAFVXHIIOQH-LJQANCHMSA-N 1 0 381.520 3.770 40 0 GHABRO Cc1nc[nH]c1C[N@@H+](C)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257343920 209079900 /nfs/dbraw/zinc/07/99/00/209079900.db2.gz ZUYFKBVRSQSJGQ-UVVBHOOISA-N 1 0 383.536 3.785 40 0 GHABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000072344743 222233089 /nfs/dbraw/zinc/23/30/89/222233089.db2.gz KALOTLLXRMTNAC-GOSISDBHSA-N 1 0 396.535 3.813 40 0 GHABRO Cc1cc(Br)ccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228934204 526172946 /nfs/dbraw/zinc/17/29/46/526172946.db2.gz ASSAODLFRDAVFG-UHFFFAOYSA-N 1 0 387.285 3.565 40 0 GHABRO Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccccn1 ZINC000035415792 560081373 /nfs/dbraw/zinc/08/13/73/560081373.db2.gz YDYGSWAFEQWGOB-UHOSZYNNSA-N 1 0 393.560 3.511 40 0 biogenic,in-vitro GHABRO Fc1ccc(OCc2nnc([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049170398 560084476 /nfs/dbraw/zinc/08/44/76/560084476.db2.gz WLDLDPVJUQHYGW-HNNXBMFYSA-N 1 0 397.406 3.506 40 0 biogenic,in-vitro GHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)NCc1cccs1 ZINC000008623669 560209934 /nfs/dbraw/zinc/20/99/34/560209934.db2.gz PPVGRTJLOWQCGY-ROUUACIJSA-N 1 0 395.528 3.878 40 0 biogenic,in-vitro GHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000022931795 570379406 /nfs/dbraw/zinc/37/94/06/570379406.db2.gz GJLJSXFKTRYKIQ-SFHVURJKSA-N 1 0 387.911 3.950 40 0 GHABRO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)Nc1ccccc1N1CCCCCC1 ZINC000035311422 570466626 /nfs/dbraw/zinc/46/66/26/570466626.db2.gz KXFJFACKSHKRHS-UHFFFAOYSA-N 1 0 381.476 3.524 40 0 GHABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000224553339 570518002 /nfs/dbraw/zinc/51/80/02/570518002.db2.gz KNJYLPCRBFQBGI-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO COc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224840198 570533349 /nfs/dbraw/zinc/53/33/49/570533349.db2.gz DYONZPPIRPMJCV-SFHVURJKSA-N 1 0 382.504 3.765 40 0 GHABRO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002428599 570544079 /nfs/dbraw/zinc/54/40/79/570544079.db2.gz SSTRELGFKVZOAD-FPTDNZKUSA-N 1 0 383.492 3.794 40 0 GHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C ZINC000001378323 570582849 /nfs/dbraw/zinc/58/28/49/570582849.db2.gz QFLLEBGZRHPJIH-UHFFFAOYSA-N 1 0 398.551 3.551 40 0 GHABRO COC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038835119 570586369 /nfs/dbraw/zinc/58/63/69/570586369.db2.gz SZSLRPJJTNNHTJ-QGZVFWFLSA-N 1 0 386.879 3.977 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000225730093 570610288 /nfs/dbraw/zinc/61/02/88/570610288.db2.gz AXJDMNZIWBKERS-IYBDPMFKSA-N 1 0 391.581 3.826 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000012292296 570633302 /nfs/dbraw/zinc/63/33/02/570633302.db2.gz FIPHRJBUGLNZBM-QFIPXVFZSA-N 1 0 377.484 3.865 40 0 GHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293547 570633811 /nfs/dbraw/zinc/63/38/11/570633811.db2.gz HFIBPYNGULSOGC-YADHBBJMSA-N 1 0 381.516 3.996 40 0 GHABRO COc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044875286 570637564 /nfs/dbraw/zinc/63/75/64/570637564.db2.gz DRICEOXNDJZILP-SFHVURJKSA-N 1 0 382.504 3.765 40 0 GHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000012362755 570646311 /nfs/dbraw/zinc/64/63/11/570646311.db2.gz BOIPPHKBNSOQIF-KRWDZBQOSA-N 1 0 375.513 3.791 40 0 GHABRO CC(C)n1cc(CN2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c2ccccc21 ZINC000072336837 570879979 /nfs/dbraw/zinc/87/99/79/570879979.db2.gz MPCPKRMLDIYVGV-UHFFFAOYSA-N 1 0 399.498 3.926 40 0 GHABRO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062844 856409992 /nfs/dbraw/zinc/40/99/92/856409992.db2.gz IMCNPIONXJOFGO-UHFFFAOYSA-N 1 0 379.504 3.677 40 0 GHABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242688599 863015508 /nfs/dbraw/zinc/01/55/08/863015508.db2.gz VUMLLWYHCNZSSR-VAMGGRTRSA-N 1 0 393.936 3.570 40 0 GHABRO CC[C@H](C)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C)[nH+]1 ZINC000328980351 206239671 /nfs/dbraw/zinc/23/96/71/206239671.db2.gz GLESMBXCHXJHFD-LBPRGKRZSA-N 1 0 375.314 3.743 40 0 GHABRO Cc1cc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)ccc1F ZINC000329027847 206241063 /nfs/dbraw/zinc/24/10/63/206241063.db2.gz PTMLBZNZFVWJTC-UHFFFAOYSA-N 1 0 380.471 3.515 40 0 GHABRO OCCN(CCO)c1cc(/C=C\c2ccnc3ccccc23)[nH+]c2ccccc21 ZINC000005390385 206609708 /nfs/dbraw/zinc/60/97/08/206609708.db2.gz PBITVDKBJBITDD-KTKRTIGZSA-N 1 0 385.467 3.744 40 0 GHABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291593 206877808 /nfs/dbraw/zinc/87/78/08/206877808.db2.gz BRNNJBRJPJHROI-GOSISDBHSA-N 1 0 384.442 3.684 40 0 GHABRO COc1ccc(-c2ncc(C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)cn2)cc1 ZINC000012363597 206888855 /nfs/dbraw/zinc/88/88/55/206888855.db2.gz AYHKRFLXJSIHEM-UHFFFAOYSA-N 1 0 393.462 3.775 40 0 GHABRO COc1ccc(-c2ncc(C[NH2+][C@@H]3CCC[C@H]3Cc3cc(C)no3)cn2)cc1 ZINC000012366548 206890568 /nfs/dbraw/zinc/89/05/68/206890568.db2.gz NSRVMJDPLWQYJI-GHTZIAJQSA-N 1 0 378.476 3.950 40 0 GHABRO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+]C5CC5)C4=O)cc3)sc2c1 ZINC000018195915 207095338 /nfs/dbraw/zinc/09/53/38/207095338.db2.gz YCHNTRIIGCJEJW-KRWDZBQOSA-N 1 0 377.469 3.656 40 0 GHABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](Cc3cc4c(cc3C)OCO4)C2)on1 ZINC000019125574 207104540 /nfs/dbraw/zinc/10/45/40/207104540.db2.gz OUNVBOREDDZTNO-AWEZNQCLSA-N 1 0 398.488 3.918 40 0 GHABRO Cc1nc([C@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2ccccc2F)cc(=O)[nH]1 ZINC000019285176 207111253 /nfs/dbraw/zinc/11/12/53/207111253.db2.gz ZGDJDFAQOROHCJ-FQEVSTJZSA-N 1 0 376.435 3.772 40 0 GHABRO O=C1NCC[N@H+](CCCc2ccccc2)C[C@H]1Cc1ccccc1-c1cccnc1 ZINC000019371133 207120010 /nfs/dbraw/zinc/12/00/10/207120010.db2.gz HABJUQOWEOKHJH-XMMPIXPASA-N 1 0 399.538 3.972 40 0 GHABRO CCOC(=O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CC[NH+](CC2CC2)CC1 ZINC000019530197 207130173 /nfs/dbraw/zinc/13/01/73/207130173.db2.gz VSTOZCHUFPGUAK-KRWDZBQOSA-N 1 0 388.483 3.764 40 0 GHABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccc(C(C)C)cc4)C3)ncc2C1 ZINC000019453236 207120947 /nfs/dbraw/zinc/12/09/47/207120947.db2.gz ZWPFEKNSWDKOQP-NRFANRHFSA-N 1 0 392.547 3.884 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)cc1OC ZINC000019561042 207134358 /nfs/dbraw/zinc/13/43/58/207134358.db2.gz UCJZGNWKAPZNMS-QUCCMNQESA-N 1 0 398.478 3.580 40 0 GHABRO Cc1cc(C)n(-c2cccc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)c2)n1 ZINC000019574720 207137972 /nfs/dbraw/zinc/13/79/72/207137972.db2.gz NXPDEGRLVVEYSA-OAQYLSRUSA-N 1 0 380.536 3.970 40 0 GHABRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019533268 207131329 /nfs/dbraw/zinc/13/13/29/207131329.db2.gz BCTVJMDFHXEUTE-NRFANRHFSA-N 1 0 390.487 3.958 40 0 GHABRO Cc1nn(CC(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@H+]3C)c(C)c1C ZINC000019556504 207132864 /nfs/dbraw/zinc/13/28/64/207132864.db2.gz ZPNMRCOYHNLVDJ-CQOQZXRMSA-N 1 0 394.563 3.677 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)cn1 ZINC000019687450 207148403 /nfs/dbraw/zinc/14/84/03/207148403.db2.gz GTXROYOZMKXYSH-HXUWFJFHSA-N 1 0 376.508 3.763 40 0 GHABRO Cc1nc(C2CC[NH+](C(C)C)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019739258 207157895 /nfs/dbraw/zinc/15/78/95/207157895.db2.gz HRJJCRIGHWDBLD-UHFFFAOYSA-N 1 0 392.547 3.895 40 0 GHABRO COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000022515281 207255909 /nfs/dbraw/zinc/25/59/09/207255909.db2.gz SNLMXCFWSQLIKP-UHFFFAOYSA-N 1 0 396.531 3.908 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072352540 208000444 /nfs/dbraw/zinc/00/04/44/208000444.db2.gz WZUDIVDGTBRGGG-HNNXBMFYSA-N 1 0 388.496 3.933 40 0 GHABRO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCCC1 ZINC000072358521 208003039 /nfs/dbraw/zinc/00/30/39/208003039.db2.gz ORRLRJCKHVZSJB-GOSISDBHSA-N 1 0 398.938 3.989 40 0 GHABRO Fc1cccc(-c2ccc(CN3CCn4c(nnc4C4CC[NH2+]CC4)C3)cc2)c1 ZINC000072372117 208005214 /nfs/dbraw/zinc/00/52/14/208005214.db2.gz ODMSDFSQWUSQNY-UHFFFAOYSA-N 1 0 391.494 3.567 40 0 GHABRO CCN(CC)C(=O)CN1CCC[C@@H]1c1cc(Nc2ncc(C)s2)cc(C)[nH+]1 ZINC000072372478 208005401 /nfs/dbraw/zinc/00/54/01/208005401.db2.gz JXKFMORYZAPRSB-GOSISDBHSA-N 1 0 387.553 3.904 40 0 GHABRO CCn1cc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371660 208006585 /nfs/dbraw/zinc/00/65/85/208006585.db2.gz BPAWNPZKOPEHRN-QGZVFWFLSA-N 1 0 399.926 3.891 40 0 GHABRO COc1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cnc(C)s4)C3)[nH]n2)c1 ZINC000072371792 208007095 /nfs/dbraw/zinc/00/70/95/208007095.db2.gz PPCLYNXJDLHBBV-MRXNPFEDSA-N 1 0 398.532 3.794 40 0 GHABRO CC(C)c1nc(-c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)c3ccccn23)cs1 ZINC000096154845 208278604 /nfs/dbraw/zinc/27/86/04/208278604.db2.gz LTIHRQAUUZWDCX-HNNXBMFYSA-N 1 0 382.533 3.962 40 0 GHABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cncc(C)c4)C3)CC2)c1 ZINC000096046642 208255765 /nfs/dbraw/zinc/25/57/65/208255765.db2.gz FVEPJRIHPFVUEC-UHFFFAOYSA-N 1 0 379.504 3.527 40 0 GHABRO O=C(c1cscn1)N1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000096070995 208257474 /nfs/dbraw/zinc/25/74/74/208257474.db2.gz AQLZLKWFKOAWFI-UHFFFAOYSA-N 1 0 395.450 3.900 40 0 GHABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000096061338 208257981 /nfs/dbraw/zinc/25/79/81/208257981.db2.gz DCLHQBFBPFQCIB-FQEVSTJZSA-N 1 0 384.545 3.745 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21)NC1CC1 ZINC000096052989 208258128 /nfs/dbraw/zinc/25/81/28/208258128.db2.gz LAMGKOPREVNJJZ-GOSISDBHSA-N 1 0 375.516 3.771 40 0 GHABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096061353 208258333 /nfs/dbraw/zinc/25/83/33/208258333.db2.gz AUPYYUIRSXLTNN-JOCHJYFZSA-N 1 0 396.506 3.823 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)N(C)C)c2ccccc2O3)o1 ZINC000096053153 208259021 /nfs/dbraw/zinc/25/90/21/208259021.db2.gz ZAMBCTNNYUNRQH-SFHVURJKSA-N 1 0 382.504 3.967 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053437 208259280 /nfs/dbraw/zinc/25/92/80/208259280.db2.gz SVNRACWJOKRQAZ-IBGZPJMESA-N 1 0 391.515 3.651 40 0 GHABRO C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096220870 208286645 /nfs/dbraw/zinc/28/66/45/208286645.db2.gz DOGRMEQXAKJMJO-HXUWFJFHSA-N 1 0 399.922 3.631 40 0 GHABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCc4ccco4)nc23)c1 ZINC000096244220 208294026 /nfs/dbraw/zinc/29/40/26/208294026.db2.gz CCIMVUOBAWXKFC-HSZRJFAPSA-N 1 0 390.487 3.664 40 0 GHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 ZINC000100750227 208381503 /nfs/dbraw/zinc/38/15/03/208381503.db2.gz LGAFSCHTIDYXOA-GWJPWWOOSA-N 1 0 383.511 3.989 40 0 GHABRO Cc1nc2c(n1CC1CC1)CN(Cc1ccc(F)cc1)CC21CC[NH+](C)CC1 ZINC000306138319 209104034 /nfs/dbraw/zinc/10/40/34/209104034.db2.gz RUUHSYTYGXAIRR-UHFFFAOYSA-N 1 0 382.527 3.720 40 0 GHABRO COCCn1cnc2c1C1(CC[NH+](Cc3ccco3)CC1)Oc1ccccc1-2 ZINC000306137999 209103217 /nfs/dbraw/zinc/10/32/17/209103217.db2.gz RMIZETDYYSEQMJ-UHFFFAOYSA-N 1 0 379.460 3.673 40 0 GHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]32)cc1 ZINC000306131839 209101430 /nfs/dbraw/zinc/10/14/30/209101430.db2.gz KQRFNWHLWDTITL-RTWAWAEBSA-N 1 0 393.512 3.640 40 0 GHABRO O=C1C[C@@H]2[N@H+](CC3CC3)CC[C@]2(c2ccccc2)CCN1Cc1ccccn1 ZINC000306128891 209099582 /nfs/dbraw/zinc/09/95/82/209099582.db2.gz HNTYLAAEHVELCQ-LADGPHEKSA-N 1 0 375.516 3.626 40 0 GHABRO COc1cccc(C[N@@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306124656 209097951 /nfs/dbraw/zinc/09/79/51/209097951.db2.gz BVUYVUDNYWEKTJ-DEOSSOPVSA-N 1 0 386.499 3.649 40 0 GHABRO CC(=O)N1Cc2sc(C(C)C)nc2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306123974 209097905 /nfs/dbraw/zinc/09/79/05/209097905.db2.gz BBYPNFJGTPQHQQ-UHFFFAOYSA-N 1 0 384.549 3.557 40 0 GHABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc(F)cc4)C2)OC3)c1 ZINC000306125877 209096691 /nfs/dbraw/zinc/09/66/91/209096691.db2.gz DENGQRAYJLWPOL-HSZRJFAPSA-N 1 0 393.462 3.873 40 0 GHABRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000257301828 209070707 /nfs/dbraw/zinc/07/07/07/209070707.db2.gz SACMWWAHJFCBGD-SFHVURJKSA-N 1 0 396.535 3.813 40 0 GHABRO Cc1ncsc1C(=O)N1CCC(c2cc(Nc3cnccn3)cc(C)[nH+]2)CC1 ZINC000257308758 209072788 /nfs/dbraw/zinc/07/27/88/209072788.db2.gz TXZGLUYEAZKBJI-UHFFFAOYSA-N 1 0 394.504 3.708 40 0 GHABRO CC[C@H]([NH3+])C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257307192 209072564 /nfs/dbraw/zinc/07/25/64/209072564.db2.gz SXONADLZTVIWNK-QWKBJWMGSA-N 1 0 392.927 3.543 40 0 GHABRO Cc1noc(C)c1-c1nc([C@H]2CCC[N@H+](Cc3nccs3)C2)ccc1CO ZINC000257312115 209074996 /nfs/dbraw/zinc/07/49/96/209074996.db2.gz UMOUWJBJIPVCAB-HNNXBMFYSA-N 1 0 384.505 3.682 40 0 GHABRO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC3CCCCC3)n2)cn1 ZINC000035425167 560080799 /nfs/dbraw/zinc/08/07/99/560080799.db2.gz KZBZRIXACVCVDC-SFHVURJKSA-N 1 0 385.512 3.907 40 0 biogenic,in-vitro GHABRO Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccco1 ZINC000022796233 560091959 /nfs/dbraw/zinc/09/19/59/560091959.db2.gz JYDIBHLKXXRSCX-ZVDOUQERSA-N 1 0 376.504 3.648 40 0 biogenic,in-vitro GHABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCCCC3)no2)cc1 ZINC000008623736 560209933 /nfs/dbraw/zinc/20/99/33/560209933.db2.gz BUXXWYXHKFIMGR-OALUTQOASA-N 1 0 397.519 3.521 40 0 biogenic,in-vitro GHABRO O=C(NCc1ccco1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034684065 570209924 /nfs/dbraw/zinc/20/99/24/570209924.db2.gz FXQUFBCEEJXBNM-UHFFFAOYSA-N 1 0 389.499 3.527 40 0 GHABRO O[C@]1(COc2ccc(F)cc2)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585285027 570254208 /nfs/dbraw/zinc/25/42/08/570254208.db2.gz BOYRRRRUNWGXRA-SSPYTLHUSA-N 1 0 399.506 3.994 40 0 GHABRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)[C@@H]1Cc1ccc(F)cc1 ZINC000585286176 570255631 /nfs/dbraw/zinc/25/56/31/570255631.db2.gz OPTLMUYLHFNLKU-SFTDATJTSA-N 1 0 376.422 3.816 40 0 GHABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000585290411 570258193 /nfs/dbraw/zinc/25/81/93/570258193.db2.gz WBQWPWLHZZVQSL-FBBABVLZSA-N 1 0 389.879 3.562 40 0 GHABRO CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000223643240 570476201 /nfs/dbraw/zinc/47/62/01/570476201.db2.gz GXLPFUXXBFEMEG-UHFFFAOYSA-N 1 0 382.942 3.764 40 0 GHABRO COc1ccc(-n2c(=O)c3ccccc3nc2SCC[NH+]2CCCCC2)cc1 ZINC000000905615 570516295 /nfs/dbraw/zinc/51/62/95/570516295.db2.gz SWPOPDXBMUBRPD-UHFFFAOYSA-N 1 0 395.528 3.972 40 0 GHABRO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000224553254 570517961 /nfs/dbraw/zinc/51/79/61/570517961.db2.gz MMZNCXIFPSSNTP-UHFFFAOYSA-N 1 0 384.495 3.795 40 0 GHABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)c1OC ZINC000008253627 570525803 /nfs/dbraw/zinc/52/58/03/570525803.db2.gz AVOALEYNQDSNKH-UHFFFAOYSA-N 1 0 394.265 3.875 40 0 GHABRO COc1ccc([C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000012128665 570613492 /nfs/dbraw/zinc/61/34/92/570613492.db2.gz WNGYFPVLWDHFJV-RRQGHBQHSA-N 1 0 395.425 3.657 40 0 GHABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872954 570637706 /nfs/dbraw/zinc/63/77/06/570637706.db2.gz KHCRXALIWXRZMN-QFIPXVFZSA-N 1 0 382.504 3.765 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)c(OC)c1 ZINC000012328265 570643751 /nfs/dbraw/zinc/64/37/51/570643751.db2.gz CRHASQHFOQESJI-UHFFFAOYSA-N 1 0 380.448 3.528 40 0 GHABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c1 ZINC000012330050 570643976 /nfs/dbraw/zinc/64/39/76/570643976.db2.gz OAHMNRCHVPFMQI-FCHUYYIVSA-N 1 0 397.515 3.696 40 0 GHABRO CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000005944797 570736743 /nfs/dbraw/zinc/73/67/43/570736743.db2.gz WBDGEBRBLPRMAV-UHFFFAOYSA-N 1 0 396.560 3.689 40 0 GHABRO COc1ccc(C2(CNC(=O)C3([NH3+])CC4(CCC4)C3)CCCCC2)cc1OC ZINC000659259273 570790402 /nfs/dbraw/zinc/79/04/02/570790402.db2.gz LBDTVABJQVFWSQ-UHFFFAOYSA-N 1 0 386.536 3.684 40 0 GHABRO CC(C)c1nccn1-c1cncc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072355351 570881262 /nfs/dbraw/zinc/88/12/62/570881262.db2.gz QKKWYNMKTUUXGG-IBGZPJMESA-N 1 0 389.503 3.734 40 0 GHABRO C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585104673 570933722 /nfs/dbraw/zinc/93/37/22/570933722.db2.gz QPIQQQQCQBSKIA-MBSDFSHPSA-N 1 0 382.479 3.638 40 0 GHABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)CCn3nc(C)nc3C)cc2)[C@@H](C)C1 ZINC000012144923 856418745 /nfs/dbraw/zinc/41/87/45/856418745.db2.gz SIBGQKKQPXOVLV-UWJYYQICSA-N 1 0 397.567 3.834 40 0 GHABRO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCC[N@H+](CC2CC2)C1 ZINC000019530021 856421450 /nfs/dbraw/zinc/42/14/50/856421450.db2.gz HUWJZHSGLWBATD-VGOFRKELSA-N 1 0 388.483 3.764 40 0 GHABRO CC(=O)N1CCCCC[C@@H]2N(C(=O)c3ccccc3C[NH+]3CCCC3)CC[C@@]21C ZINC000019713336 856426901 /nfs/dbraw/zinc/42/69/01/856426901.db2.gz WJYXIOHTKQJXFA-UPVQGACJSA-N 1 0 397.563 3.678 40 0 GHABRO Cc1ccc(C=[N+]2NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000205828935 856455081 /nfs/dbraw/zinc/45/50/81/856455081.db2.gz KEXUBAAEDQNOSR-NQQNOTTHSA-O 1 0 384.459 3.851 40 0 GHABRO C[C@]12CCCN(C(=O)c3ccnc(Cc4cccc(F)c4)c3)[C@H]1CCCC[NH2+]2 ZINC000257239226 222762275 /nfs/dbraw/zinc/76/22/75/222762275.db2.gz HOMJAHGTWNCPTL-GMAHTHKFSA-N 1 0 381.495 3.948 40 0 GHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306143106 209107539 /nfs/dbraw/zinc/10/75/39/209107539.db2.gz XTIQFCLEPXALJV-VQTJNVASSA-N 1 0 381.476 3.770 40 0 GHABRO Cc1cc(Nc2cc(C3CC3)nc(NCC[NH+](C)C)n2)ccc1Br ZINC000328992529 206239590 /nfs/dbraw/zinc/23/95/90/206239590.db2.gz IWLBUJHDUWBICC-UHFFFAOYSA-N 1 0 390.329 3.564 40 0 GHABRO Cc1cc(F)ccc1Nc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000328982404 206239718 /nfs/dbraw/zinc/23/97/18/206239718.db2.gz GZVLDWSDWBRGKE-UHFFFAOYSA-N 1 0 380.471 3.515 40 0 GHABRO CCOC(=O)CCN(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)[N+](=O)C1 ZINC000001677762 206388138 /nfs/dbraw/zinc/38/81/38/206388138.db2.gz JPFDGUJLGGJJTO-UHFFFAOYSA-N 1 0 399.878 3.616 40 0 GHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccsc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306139065 209106322 /nfs/dbraw/zinc/10/63/22/209106322.db2.gz SOJBMFGFNBFBSR-SIKLNZKXSA-N 1 0 398.576 3.754 40 0 GHABRO Cc1nc2cc(C(=O)NC[C@@H]3CCC[N@H+](CCc4ccccc4)C3)ccc2[nH]1 ZINC000012147252 206862741 /nfs/dbraw/zinc/86/27/41/206862741.db2.gz WRECYJLJDMNJEM-IBGZPJMESA-N 1 0 376.504 3.556 40 0 GHABRO CC(=O)N1CCc2nc(C3CC[NH+](C/C(C)=C/c4ccccc4)CC3)ncc2C1 ZINC000019014368 207099149 /nfs/dbraw/zinc/09/91/49/207099149.db2.gz DNSMARMCLPARJW-NBVRZTHBSA-N 1 0 390.531 3.664 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)c1 ZINC000019017762 207099818 /nfs/dbraw/zinc/09/98/18/207099818.db2.gz SINYLIBUCLYNKX-DNVJHFABSA-N 1 0 382.479 3.813 40 0 GHABRO COc1ccc2nc(C[N@@H+]3C[C@@H]4CC[C@@](O)(c5ccc(C)cn5)[C@@H]4C3)ccc2c1 ZINC000019215860 207107123 /nfs/dbraw/zinc/10/71/23/207107123.db2.gz AVABYVVIGCMHLO-VNZMSGEBSA-N 1 0 389.499 3.676 40 0 GHABRO Cc1nc([C@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2cccc(F)c2)cc(=O)[nH]1 ZINC000019285171 207112097 /nfs/dbraw/zinc/11/20/97/207112097.db2.gz IMOQZJKWJURVKJ-FQEVSTJZSA-N 1 0 376.435 3.772 40 0 GHABRO NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000019331732 207116305 /nfs/dbraw/zinc/11/63/05/207116305.db2.gz QOXLOYDUONXELB-DEOSSOPVSA-N 1 0 389.474 3.808 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3noc(-c4cnc(C)cn4)n3)C2)c(C)c1C ZINC000019239028 207110930 /nfs/dbraw/zinc/11/09/30/207110930.db2.gz KNBSSPPZWSWDTG-GOSISDBHSA-N 1 0 393.491 3.840 40 0 GHABRO CC(C)c1nccn1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019454400 207124020 /nfs/dbraw/zinc/12/40/20/207124020.db2.gz XVWDHLVBOVSJKI-VWPQPMDRSA-N 1 0 398.526 3.672 40 0 GHABRO CCCN1CC[N@H+](CC2CC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502827 207126278 /nfs/dbraw/zinc/12/62/78/207126278.db2.gz NVFKXXMNUVUWOC-HSZRJFAPSA-N 1 0 377.532 3.872 40 0 GHABRO CCn1cc([C@H](NC(=O)[C@H]([NH3+])CC(C)C)c2ccc(F)cc2)c2ccncc21 ZINC000019524812 207129551 /nfs/dbraw/zinc/12/95/51/207129551.db2.gz APMNGZJCEGBCIP-TZIWHRDSSA-N 1 0 382.483 3.774 40 0 GHABRO CC(C)Oc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019450650 207121667 /nfs/dbraw/zinc/12/16/67/207121667.db2.gz VDTIVCSCWFHBPE-JOCHJYFZSA-N 1 0 380.536 3.979 40 0 GHABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)c1OC ZINC000019567701 207136612 /nfs/dbraw/zinc/13/66/12/207136612.db2.gz PDJYSQKJVSCJQX-UHFFFAOYSA-N 1 0 380.448 3.528 40 0 GHABRO Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019566173 207137118 /nfs/dbraw/zinc/13/71/18/207137118.db2.gz DSBFZLMMKWXSEQ-SFHVURJKSA-N 1 0 376.460 3.544 40 0 GHABRO Cc1nn([C@H](C)CC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c(C)c1Cl ZINC000019577540 207138795 /nfs/dbraw/zinc/13/87/95/207138795.db2.gz NYXOOTGPQFKGLB-QAPCUYQASA-N 1 0 380.964 3.971 40 0 GHABRO CN(C(=O)COc1ccc(F)cc1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586652 207139944 /nfs/dbraw/zinc/13/99/44/207139944.db2.gz OOFYWHMQKOCPGK-UHFFFAOYSA-N 1 0 398.478 3.527 40 0 GHABRO CNc1nc([C@@H]2CCCC[N@@H+]2CC2CCCCC2)nc2c1CN(C(C)=O)CC2 ZINC000019711614 207151908 /nfs/dbraw/zinc/15/19/08/207151908.db2.gz HREWOHXEDYNDTN-FQEVSTJZSA-N 1 0 385.556 3.530 40 0 GHABRO Cc1nc(C)c(S(=O)(=O)N[C@H](CC[NH+]2CCCCC2)c2ccccc2)s1 ZINC000019715987 207154362 /nfs/dbraw/zinc/15/43/62/207154362.db2.gz UKLSMMQQKXZBRD-GOSISDBHSA-N 1 0 393.578 3.656 40 0 GHABRO CCOc1ccc(CCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OCC ZINC000020106034 207177998 /nfs/dbraw/zinc/17/79/98/207177998.db2.gz KRCUUUHLNVIZCE-RTBURBONSA-N 1 0 390.568 3.901 40 0 GHABRO CN(Cc1cc(CC2([NH2+]CC3CCCCC3)COC2)no1)Cc1ccccc1 ZINC000067898106 207187637 /nfs/dbraw/zinc/18/76/37/207187637.db2.gz BLDPRLWSCWMVBA-UHFFFAOYSA-N 1 0 383.536 3.788 40 0 biogenic,in-vitro GHABRO COc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccccc1 ZINC000022075132 207246997 /nfs/dbraw/zinc/24/69/97/207246997.db2.gz DBKVMQQDFVJSSM-UHFFFAOYSA-N 1 0 393.325 3.688 40 0 GHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccnc1 ZINC000022913690 207262274 /nfs/dbraw/zinc/26/22/74/207262274.db2.gz VUBVPOOFDQJBAA-QHCPKHFHSA-N 1 0 393.510 3.893 40 0 GHABRO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]CCN2CCOCC2)cc1 ZINC000023469461 207278043 /nfs/dbraw/zinc/27/80/43/207278043.db2.gz CWFLFJQCVINLKC-UHFFFAOYSA-N 1 0 394.490 3.980 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CN(C(C)=O)Cc3ccccc3O2)C1 ZINC000072373014 208005240 /nfs/dbraw/zinc/00/52/40/208005240.db2.gz VQOWNOUTBHBUHD-HYBUGGRVSA-N 1 0 394.515 3.717 40 0 GHABRO Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000072373964 208008460 /nfs/dbraw/zinc/00/84/60/208008460.db2.gz DLTOFWDZSICXMF-FQEVSTJZSA-N 1 0 377.467 3.525 40 0 GHABRO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)NC[C@@H](C)c4ccccc4)=NO3)C2)cc1 ZINC000096225722 208288477 /nfs/dbraw/zinc/28/84/77/208288477.db2.gz XHPZHGNKPXTLLQ-DVECYGJZSA-N 1 0 391.515 3.636 40 0 GHABRO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228366 208289490 /nfs/dbraw/zinc/28/94/90/208289490.db2.gz GFIPCKSLOXAKQB-RDPSFJRHSA-N 1 0 393.531 3.584 40 0 GHABRO O=C(c1ccsc1)N1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096242466 208293518 /nfs/dbraw/zinc/29/35/18/208293518.db2.gz GBCJVUBQYICJKA-UHFFFAOYSA-N 1 0 396.556 3.917 40 0 GHABRO CC[NH+](CC)C[C@H](C)NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002781423 208507145 /nfs/dbraw/zinc/50/71/45/208507145.db2.gz LOQZNDKZCIHQDX-NSHDSACASA-N 1 0 394.869 3.669 40 0 GHABRO O=S1(=O)N(CC2CC2)c2ccccc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000306132224 209102520 /nfs/dbraw/zinc/10/25/20/209102520.db2.gz LCEDHLAXGDBSDI-UHFFFAOYSA-N 1 0 388.558 3.799 40 0 GHABRO CN1CC[N@H+](Cc2cccs2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306130194 209099426 /nfs/dbraw/zinc/09/94/26/209099426.db2.gz IYZVJYSFPXWCKK-NRFANRHFSA-N 1 0 389.528 3.947 40 0 GHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccs3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306124227 209097047 /nfs/dbraw/zinc/09/70/47/209097047.db2.gz BJVXEPXYYFNYCE-SIKLNZKXSA-N 1 0 398.576 3.754 40 0 GHABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@@H]2CCOCc1ccncc1 ZINC000248066995 209029822 /nfs/dbraw/zinc/02/98/22/209029822.db2.gz XIKRTKUQVMPESL-IBGZPJMESA-N 1 0 387.549 3.825 40 0 GHABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cncc(Cc2cccc(F)c2)c1 ZINC000257210323 209055514 /nfs/dbraw/zinc/05/55/14/209055514.db2.gz BUBYJMKKHFLERR-HYVLGVRCSA-N 1 0 393.506 3.947 40 0 GHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccc(Cc3ccc(F)cc3)nc1)C2 ZINC000257256103 209061805 /nfs/dbraw/zinc/06/18/05/209061805.db2.gz KKCAFPQJTMVWQZ-YCSHWKNNSA-N 1 0 393.506 3.899 40 0 GHABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccncn1 ZINC000257290768 209067945 /nfs/dbraw/zinc/06/79/45/209067945.db2.gz QEGHBUINOSSUTE-CFKFVRPNSA-N 1 0 390.531 3.565 40 0 GHABRO Cc1ccccc1C[NH+]1CCN(c2c(F)cccc2[C@@H](O)c2ccccn2)CC1 ZINC000072340702 136168550 /nfs/dbraw/zinc/16/85/50/136168550.db2.gz KFNCZCUGSSLLHR-XMMPIXPASA-N 1 0 391.490 3.933 40 0 GHABRO COc1ccc(C[C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccnc(C)n2)cc1 ZINC000072348198 222234452 /nfs/dbraw/zinc/23/44/52/222234452.db2.gz RCPXHLIOHZPTAJ-VJBWXMMDSA-N 1 0 381.520 3.532 40 0 GHABRO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3C)n2)cn1 ZINC000035425224 560080468 /nfs/dbraw/zinc/08/04/68/560080468.db2.gz JJACIXQFTRPFTK-IBGZPJMESA-N 1 0 393.491 3.835 40 0 biogenic,in-vitro GHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)Nc1nccs1 ZINC000008623577 560209908 /nfs/dbraw/zinc/20/99/08/560209908.db2.gz PYNXGKHCHAPWAE-HOTGVXAUSA-N 1 0 382.489 3.595 40 0 biogenic,in-vitro GHABRO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@@H+](C3CCC(C)(C)CC3)CC[C@@H]2O)c1 ZINC000585285988 570255693 /nfs/dbraw/zinc/25/56/93/570255693.db2.gz GGTVXUZHSCEMSD-GMAHTHKFSA-N 1 0 375.553 3.757 40 0 GHABRO O=c1oc(CC[NH+]2CCN(c3ccccc3)CC2)c(-c2ccc(Cl)cc2)o1 ZINC000004215401 570363480 /nfs/dbraw/zinc/36/34/80/570363480.db2.gz QPIRWBYRKYGHDQ-UHFFFAOYSA-N 1 0 384.863 3.918 40 0 in-man GHABRO CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000033821683 570417631 /nfs/dbraw/zinc/41/76/31/570417631.db2.gz QHRYYIWWVCYYGL-ZRNYENFQSA-N 1 0 378.497 3.733 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223262184 570454111 /nfs/dbraw/zinc/45/41/11/570454111.db2.gz JNMCWNVWAMEORQ-PMACEKPBSA-N 1 0 383.565 3.532 40 0 GHABRO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447751 570505148 /nfs/dbraw/zinc/50/51/48/570505148.db2.gz PGDVMBREZQEVMU-PKNBQFBNSA-N 1 0 378.472 3.731 40 0 GHABRO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000224779009 570530280 /nfs/dbraw/zinc/53/02/80/570530280.db2.gz NUOZFOYOSYDVPG-UHFFFAOYSA-N 1 0 376.551 3.891 40 0 GHABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@@H]1c1cccc(OC)c1)CCCC3 ZINC000035079611 570549280 /nfs/dbraw/zinc/54/92/80/570549280.db2.gz SCKWNQRIZNNYFA-LJQANCHMSA-N 1 0 393.487 3.946 40 0 GHABRO CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834594 570585786 /nfs/dbraw/zinc/58/57/86/570585786.db2.gz PXCAXGRELGJKCN-QGZVFWFLSA-N 1 0 384.451 3.853 40 0 GHABRO COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038851858 570588581 /nfs/dbraw/zinc/58/85/81/570588581.db2.gz MDULKIRJYZNTNK-GOSISDBHSA-N 1 0 384.451 3.771 40 0 GHABRO CC(C)(C)Nc1c(C2CCN(C(=O)CCc3ccno3)CC2)[nH+]c2ccccn21 ZINC000012127883 570613117 /nfs/dbraw/zinc/61/31/17/570613117.db2.gz JQTZKRBUDUTAPU-UHFFFAOYSA-N 1 0 395.507 3.872 40 0 GHABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012292487 570633427 /nfs/dbraw/zinc/63/34/27/570633427.db2.gz JUIMGUNYGANURK-IBGZPJMESA-N 1 0 395.421 3.731 40 0 GHABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012293439 570633966 /nfs/dbraw/zinc/63/39/66/570633966.db2.gz PXLLNBNSXKKVJZ-YADHBBJMSA-N 1 0 381.516 3.996 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 ZINC000012329794 570644153 /nfs/dbraw/zinc/64/41/53/570644153.db2.gz FDLIAMLIJIYFHF-MOPGFXCFSA-N 1 0 391.870 3.863 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000260735094 570701242 /nfs/dbraw/zinc/70/12/42/570701242.db2.gz FLVNSGBNUCLAKS-AWEZNQCLSA-N 1 0 397.972 3.925 40 0 GHABRO Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cc1N1CCCC1=O ZINC000260739762 570701972 /nfs/dbraw/zinc/70/19/72/570701972.db2.gz OUFPFISNSGHKRJ-INIZCTEOSA-N 1 0 388.581 3.530 40 0 GHABRO COc1ccccc1C[NH+]1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 ZINC000012728337 570706772 /nfs/dbraw/zinc/70/67/72/570706772.db2.gz IXHDIXVPEJQFNT-UHFFFAOYSA-N 1 0 376.460 3.632 40 0 GHABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]2CCCO2)cc1OC ZINC000013994230 570868976 /nfs/dbraw/zinc/86/89/76/570868976.db2.gz DWIDSLRLIPOLED-HXUWFJFHSA-N 1 0 383.488 3.820 40 0 GHABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(F)c1)CC2 ZINC000585099859 570926395 /nfs/dbraw/zinc/92/63/95/570926395.db2.gz KUFZRNWALZYMJF-QFIPXVFZSA-N 1 0 385.483 3.978 40 0 GHABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@H]2CCOCc1cccnc1 ZINC000585103960 570929583 /nfs/dbraw/zinc/92/95/83/570929583.db2.gz FCDGUGNOKUFNOA-LJQANCHMSA-N 1 0 387.549 3.825 40 0 GHABRO C[N@@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)CC3CCCCC3)CC4)c2C1 ZINC000585111270 570945709 /nfs/dbraw/zinc/94/57/09/570945709.db2.gz MDGNZRJSTGTRAW-UHFFFAOYSA-N 1 0 392.547 3.851 40 0 GHABRO O=C(c1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238934032 570981194 /nfs/dbraw/zinc/98/11/94/570981194.db2.gz VIGJAYYCTYTHJJ-LJQANCHMSA-N 1 0 385.305 3.722 40 0 GHABRO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009062576 856410235 /nfs/dbraw/zinc/41/02/35/856410235.db2.gz SQTIHDJFQLUPRQ-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO COc1cccc(CC(=O)N2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)c1 ZINC000019712907 856426763 /nfs/dbraw/zinc/42/67/63/856426763.db2.gz LXYGGJIDDXLABC-YFNKSVMNSA-N 1 0 392.543 3.982 40 0 GHABRO CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCC[N@H+]2Cc1cn(C)nc1C ZINC000019712936 856426918 /nfs/dbraw/zinc/42/69/18/856426918.db2.gz LEUTVWVZFPHYHX-SMIHKQSGSA-N 1 0 394.563 3.705 40 0 GHABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242543551 862963439 /nfs/dbraw/zinc/96/34/39/862963439.db2.gz KFKQMMJQLBWYJP-VAMGGRTRSA-N 1 0 393.936 3.570 40 0 GHABRO Cc1cc(-c2cnc(N3CC[N@@H+]4CCCC[C@H]4C3)nc2-c2ccc(C)o2)on1 ZINC000253599999 871895274 /nfs/dbraw/zinc/89/52/74/871895274.db2.gz BQJITNRATHQCBM-INIZCTEOSA-N 1 0 379.464 3.683 40 0 GHABRO Cc1cc(-c2cnc(N3CC[N@@H+]4CCCC[C@H]4C3)nc2-c2cccs2)on1 ZINC000253599981 871895955 /nfs/dbraw/zinc/89/59/55/871895955.db2.gz ANKLIAVHAIUGDZ-HNNXBMFYSA-N 1 0 381.505 3.843 40 0 GHABRO CCCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(N)c2)c1 ZINC000226263687 206258139 /nfs/dbraw/zinc/25/81/39/206258139.db2.gz BOQMHSQTYIIUHC-UHFFFAOYSA-N 1 0 396.535 3.842 40 0 GHABRO COc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccccc3F)CC1)CCC2 ZINC000012292954 206877128 /nfs/dbraw/zinc/87/71/28/206877128.db2.gz FQUWQEJNVZJCIX-UHFFFAOYSA-N 1 0 396.506 3.950 40 0 GHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2N1Cc1ccccc1 ZINC000306139428 209106034 /nfs/dbraw/zinc/10/60/34/209106034.db2.gz SWXZWQCUEAEOKY-FCHUYYIVSA-N 1 0 375.447 3.709 40 0 GHABRO O=C1NCC[N@H+](CC2CCCCC2)C[C@H]1Cc1cccc(-c2cccnc2)c1 ZINC000019331498 207116849 /nfs/dbraw/zinc/11/68/49/207116849.db2.gz LYYXOSFFNCSXPF-HSZRJFAPSA-N 1 0 377.532 3.919 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccn2)C1)c1cccs1 ZINC000019401616 207120647 /nfs/dbraw/zinc/12/06/47/207120647.db2.gz MQAGNCNAZRSNQH-UWJYYQICSA-N 1 0 392.528 3.921 40 0 GHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)CC1=Cc2cc(OC)ccc2OC1 ZINC000019527183 207129541 /nfs/dbraw/zinc/12/95/41/207129541.db2.gz QAXZWVAWZPLZBQ-JOCHJYFZSA-N 1 0 393.531 3.853 40 0 GHABRO CCOc1ccc(CN2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)cc1OC ZINC000019533867 207130989 /nfs/dbraw/zinc/13/09/89/207130989.db2.gz VOYIDTHOUMJDHR-TXTKFYIRSA-N 1 0 384.495 3.953 40 0 GHABRO CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000019531885 207130163 /nfs/dbraw/zinc/13/01/63/207130163.db2.gz HJVXNVKZYOFZAC-YYDVJCTNSA-N 1 0 382.504 3.527 40 0 GHABRO O=C(NCC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019401676 207121139 /nfs/dbraw/zinc/12/11/39/207121139.db2.gz AOZKHQNTNITMQI-GOSISDBHSA-N 1 0 382.508 3.759 40 0 GHABRO O=C(NCC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000019405235 207121889 /nfs/dbraw/zinc/12/18/89/207121889.db2.gz SFQHBILQCDUTJC-LJQANCHMSA-N 1 0 382.508 3.759 40 0 GHABRO Cc1cc(C)n(CCCC(=O)N2CC[C@H](c3ccccc3)[C@H]3[NH2+]CCCC[C@H]32)n1 ZINC000019574114 207138065 /nfs/dbraw/zinc/13/80/65/207138065.db2.gz IIOTWTPISUNVIV-CQOQZXRMSA-N 1 0 394.563 3.807 40 0 GHABRO COc1ccc(OCC[N@H+](C)Cc2c3cccnc3[nH]c2C2CCOCC2)cc1 ZINC000019586160 207139524 /nfs/dbraw/zinc/13/95/24/207139524.db2.gz VICDFFRWCPRBRN-UHFFFAOYSA-N 1 0 395.503 3.976 40 0 GHABRO COc1ccc(S[C@H](C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000020456211 207195063 /nfs/dbraw/zinc/19/50/63/207195063.db2.gz AFWAYDLARAHQEL-IXDOHACOSA-N 1 0 394.581 3.669 40 0 GHABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000038754460 207559959 /nfs/dbraw/zinc/55/99/59/207559959.db2.gz RKCMTIGVZZJAKA-UHFFFAOYSA-N 1 0 377.532 3.855 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072358189 208003202 /nfs/dbraw/zinc/00/32/02/208003202.db2.gz WCYFBJSCFZCCCG-QHCPKHFHSA-N 1 0 381.495 3.959 40 0 GHABRO COc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3cnc(C)s3)C2)[nH]n1 ZINC000072371790 208006999 /nfs/dbraw/zinc/00/69/99/208006999.db2.gz GAEKYOULSAINES-MRXNPFEDSA-N 1 0 398.532 3.794 40 0 GHABRO CCN(CC)C(=O)C[NH+]1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 ZINC000072374169 208007581 /nfs/dbraw/zinc/00/75/81/208007581.db2.gz FZRQRXPUKNABSS-UHFFFAOYSA-N 1 0 381.524 3.576 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 ZINC000072376665 208010666 /nfs/dbraw/zinc/01/06/66/208010666.db2.gz OHQLYVOXTBMCML-FQEVSTJZSA-N 1 0 390.535 3.806 40 0 GHABRO CC(C)c1nc(-c2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c3ccccn23)cs1 ZINC000096154846 208279330 /nfs/dbraw/zinc/27/93/30/208279330.db2.gz LTIHRQAUUZWDCX-OAHLLOKOSA-N 1 0 382.533 3.962 40 0 GHABRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)Cc4cccnc4)CC3)CC2)cc1 ZINC000096047334 208254990 /nfs/dbraw/zinc/25/49/90/208254990.db2.gz AFUAHHFYIMOTKH-UHFFFAOYSA-N 1 0 393.531 3.538 40 0 GHABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21 ZINC000096053325 208259848 /nfs/dbraw/zinc/25/98/48/208259848.db2.gz DHQJVQDYQXSBSW-LJQANCHMSA-N 1 0 393.531 3.897 40 0 GHABRO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cccc(OC)c4)C3)C2)c1 ZINC000096215657 208285943 /nfs/dbraw/zinc/28/59/43/208285943.db2.gz RCWULEUEKRFAIO-DEOSSOPVSA-N 1 0 394.515 3.832 40 0 GHABRO O=C(CCc1cccnc1)N1CC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000096203018 208286663 /nfs/dbraw/zinc/28/66/63/208286663.db2.gz PTLDNCNGNKJNGO-UHFFFAOYSA-N 1 0 383.923 3.792 40 0 GHABRO Cn1ccnc1CN1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242448 208292221 /nfs/dbraw/zinc/29/22/21/208292221.db2.gz VJVNORHSDJYATF-UHFFFAOYSA-N 1 0 378.564 3.960 40 0 GHABRO CC(C)[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccccc1)Cc1ccccc12 ZINC000096242409 208293776 /nfs/dbraw/zinc/29/37/76/208293776.db2.gz WBTPJEPQSHRZJW-UHFFFAOYSA-N 1 0 384.545 3.633 40 0 GHABRO CC[NH+](CC)C[C@@H](C)NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002781422 208505631 /nfs/dbraw/zinc/50/56/31/208505631.db2.gz LOQZNDKZCIHQDX-LLVKDONJSA-N 1 0 394.869 3.669 40 0 GHABRO CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306126130 209098054 /nfs/dbraw/zinc/09/80/54/209098054.db2.gz DNTVUUJRYICHBY-UHFFFAOYSA-N 1 0 397.523 3.582 40 0 GHABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C3)cc1 ZINC000096269258 209014313 /nfs/dbraw/zinc/01/43/13/209014313.db2.gz YILBMKDCLPGJRO-IBGZPJMESA-N 1 0 383.879 3.901 40 0 biogenic,in-vitro GHABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4ncccn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257279496 209066327 /nfs/dbraw/zinc/06/63/27/209066327.db2.gz OGXBUTHLEFYYDZ-NABGWTBKSA-N 1 0 390.531 3.565 40 0 GHABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000257308517 209072646 /nfs/dbraw/zinc/07/26/46/209072646.db2.gz TWZPOTAFRFFKMI-OAHLLOKOSA-N 1 0 380.517 3.773 40 0 GHABRO Cc1cc(N2C(=O)OC[C@H]2Cc2ccccc2)nc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257343706 209079839 /nfs/dbraw/zinc/07/98/39/209079839.db2.gz ZUCNSAUPJZXPPL-HXUWFJFHSA-N 1 0 394.519 3.941 40 0 GHABRO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072348769 222235446 /nfs/dbraw/zinc/23/54/46/222235446.db2.gz UIIISGVLNCDFRF-SFHVURJKSA-N 1 0 379.504 3.559 40 0 GHABRO CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113955307 536045910 /nfs/dbraw/zinc/04/59/10/536045910.db2.gz GMIBSQZRFNPFJG-FQEVSTJZSA-N 1 0 387.911 3.888 40 0 GHABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000225494857 560042452 /nfs/dbraw/zinc/04/24/52/560042452.db2.gz YYJMZHUGOXHEKG-SFHVURJKSA-N 1 0 379.426 3.612 40 0 biogenic,in-vitro GHABRO CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CCN(C)CC3)C2(C)C)no1)c1ccccc1 ZINC000067890144 560050139 /nfs/dbraw/zinc/05/01/39/560050139.db2.gz DXAYVZHBFRXOMX-JPYJTQIMSA-N 1 0 396.579 3.952 40 0 biogenic,in-vitro GHABRO c1ccc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCCC3)n2)cc1 ZINC000329009645 570211740 /nfs/dbraw/zinc/21/17/40/570211740.db2.gz LWFHWCKUMOTIKQ-UHFFFAOYSA-N 1 0 379.552 3.534 40 0 GHABRO Cc1ccc(Cl)cc1N1CCN([C@@H](c2nnnn2C(C)(C)C)C(C)C)CC1 ZINC000057669703 570366988 /nfs/dbraw/zinc/36/69/88/570366988.db2.gz WOQNZXZCMDLGIZ-GOSISDBHSA-N 1 0 390.963 3.909 40 0 GHABRO CC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669650 570367143 /nfs/dbraw/zinc/36/71/43/570367143.db2.gz BCVQJQQTPWRCME-INIZCTEOSA-N 1 0 376.936 3.663 40 0 GHABRO Cc1cccc(N2CCN([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C ZINC000057669756 570367248 /nfs/dbraw/zinc/36/72/48/570367248.db2.gz WPOMXLRYENLAMV-FQEVSTJZSA-N 1 0 384.572 3.954 40 0 GHABRO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000039748614 570446958 /nfs/dbraw/zinc/44/69/58/570446958.db2.gz OCZXULWNBQZQPR-UHFFFAOYSA-N 1 0 380.488 3.941 40 0 GHABRO Cc1cc(C)c(NC(=O)CN(CCC[NH+](C)C)C(=O)c2ccccc2)c(C)c1 ZINC000005697527 570451861 /nfs/dbraw/zinc/45/18/61/570451861.db2.gz AOXCQSNAMRPTFT-UHFFFAOYSA-N 1 0 381.520 3.644 40 0 GHABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1C(C)C ZINC000223263693 570454269 /nfs/dbraw/zinc/45/42/69/570454269.db2.gz QGIFHVCJTHMERA-WOJBJXKFSA-N 1 0 385.581 3.615 40 0 GHABRO CC(C)(C[NH+]1CCCCC1)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 ZINC000035322644 570470754 /nfs/dbraw/zinc/47/07/54/570470754.db2.gz ZVSCPQOHOGWTHC-UHFFFAOYSA-N 1 0 383.540 3.931 40 0 GHABRO CCOC(=O)[C@](O)(CC)c1cc[n+](Cc2cc3ccccc3nc2Cl)cc1C ZINC000006424707 570479960 /nfs/dbraw/zinc/47/99/60/570479960.db2.gz HTMARNDGEJABCY-QFIPXVFZSA-N 1 0 399.898 3.693 40 0 GHABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000007448138 570505231 /nfs/dbraw/zinc/50/52/31/570505231.db2.gz IGSLTKARRGQGJU-UHFFFAOYSA-N 1 0 391.515 3.729 40 0 GHABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035088607 570549728 /nfs/dbraw/zinc/54/97/28/570549728.db2.gz QMIIWQGANXDDCF-TWHAJKEOSA-N 1 0 392.559 3.786 40 0 GHABRO COc1ccc(Cl)cc1NC(=S)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000225232369 570558022 /nfs/dbraw/zinc/55/80/22/570558022.db2.gz LULFJACXYQJVJA-UHFFFAOYSA-N 1 0 390.940 3.695 40 0 GHABRO O=C([C@H]1CCCO1)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000601032722 570579207 /nfs/dbraw/zinc/57/92/07/570579207.db2.gz OHJNHKUFSKAANI-HSZRJFAPSA-N 1 0 378.516 3.906 40 0 in-vitro GHABRO COc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038848916 570587119 /nfs/dbraw/zinc/58/71/19/570587119.db2.gz WHISJVYBWVVLSP-LJQANCHMSA-N 1 0 386.923 3.920 40 0 GHABRO COC(=O)c1cc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000225729433 570609885 /nfs/dbraw/zinc/60/98/85/570609885.db2.gz PYXSAZQSIVXRMX-OKILXGFUSA-N 1 0 397.972 3.781 40 0 GHABRO CCOC(=O)[C@]12CCC[C@H]1N(C(=O)c1ccc(C[NH+](CC)CC)o1)CC=CC2 ZINC000012183430 570619976 /nfs/dbraw/zinc/61/99/76/570619976.db2.gz YEIYXJWTIHTJOP-DENIHFKCSA-N 1 0 388.508 3.626 40 0 GHABRO Cc1cc(C)n2nc(C3=CC[N@H+](C[C@H](O)c4ccc(Cl)cc4)CC3)cc2n1 ZINC000012233115 570629593 /nfs/dbraw/zinc/62/95/93/570629593.db2.gz HTZKZMYSQRFSTK-FQEVSTJZSA-N 1 0 382.895 3.822 40 0 GHABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(OC)cc1OC)C2 ZINC000004857119 570638496 /nfs/dbraw/zinc/63/84/96/570638496.db2.gz IHAGMJHQNZUZHY-MQVJKMGUSA-N 1 0 377.554 3.786 40 0 GHABRO OC1(c2ccccc2F)CC[NH+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC000012363534 570646005 /nfs/dbraw/zinc/64/60/05/570646005.db2.gz VZQVXIFRVANCTR-UHFFFAOYSA-N 1 0 379.435 3.892 40 0 GHABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC000089212646 570747938 /nfs/dbraw/zinc/74/79/38/570747938.db2.gz RSEOPQKLPBGQKJ-INIZCTEOSA-N 1 0 383.330 3.981 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 ZINC000260529644 570786882 /nfs/dbraw/zinc/78/68/82/570786882.db2.gz TVMNZHMIRCCKJH-IRXDYDNUSA-N 1 0 394.581 3.955 40 0 GHABRO CC(C)C[C@H](O)C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100803 570928589 /nfs/dbraw/zinc/92/85/89/570928589.db2.gz WYQOAOGINDSTOL-UNMCSNQZSA-N 1 0 376.516 3.580 40 0 GHABRO Cc1cc(Br)ccc1Nc1cc(C2CC2)nc(NCC[NH+](C)C)n1 ZINC000328962961 571047096 /nfs/dbraw/zinc/04/70/96/571047096.db2.gz BLNHHTDANAOWJS-UHFFFAOYSA-N 1 0 390.329 3.564 40 0 GHABRO CC(C)Oc1ccc(CN2CC[C@@H]3[NH2+]CCCCC[C@H]32)cc1Cn1cccn1 ZINC000019712146 856425603 /nfs/dbraw/zinc/42/56/03/856425603.db2.gz PMSPPWSMVCWJKW-FCHUYYIVSA-N 1 0 382.552 3.825 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)cc1 ZINC000019712634 856425846 /nfs/dbraw/zinc/42/58/46/856425846.db2.gz GXBFKNHKBMVYLU-XJUOHMSHSA-N 1 0 382.479 3.861 40 0 GHABRO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@]3(C)[C@@H]1CCCCCN3C(C)=O)CO2 ZINC000019713411 856426987 /nfs/dbraw/zinc/42/69/87/856426987.db2.gz LSXRFFMMDIPONW-GOTSBHOMSA-N 1 0 384.520 3.727 40 0 GHABRO COc1ccccc1CC(=O)N1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712878 856427354 /nfs/dbraw/zinc/42/73/54/856427354.db2.gz ZJQDFQKSGNCWCG-XPWALMASSA-N 1 0 392.543 3.982 40 0 GHABRO CCc1nc2ccccc2n1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000141579206 856452637 /nfs/dbraw/zinc/45/26/37/856452637.db2.gz NLGSXUYMBOMJPR-UHFFFAOYSA-N 1 0 382.552 3.904 40 0 GHABRO Fc1ccc(-c2cnc(Nc3cccc(C[C@H]4C[NH2+]CCOC4)n3)s2)cc1 ZINC000143345690 857241173 /nfs/dbraw/zinc/24/11/73/857241173.db2.gz CXDRNKRXOKDJJN-AWEZNQCLSA-N 1 0 384.480 3.866 40 0 GHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000226260049 206258828 /nfs/dbraw/zinc/25/88/28/206258828.db2.gz VPWHRWMJMJUWHY-BJMVGYQFSA-N 1 0 384.911 3.716 40 0 GHABRO C[NH+](C)CCN1c2ccc(Cl)cc2C(c2ccccc2Cl)=NCC1=O ZINC000001589593 206387214 /nfs/dbraw/zinc/38/72/14/206387214.db2.gz MLHPUCAUZPCWLF-UHFFFAOYSA-N 1 0 376.287 3.739 40 0 GHABRO CC(=O)Oc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cc1 ZINC000013994453 207006570 /nfs/dbraw/zinc/00/65/70/207006570.db2.gz QHKSVXZNRMXWKT-HXUWFJFHSA-N 1 0 383.444 3.522 40 0 GHABRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000015614176 207053145 /nfs/dbraw/zinc/05/31/45/207053145.db2.gz GDHUIBYJDCBUHC-UHFFFAOYSA-N 1 0 396.531 3.939 40 0 GHABRO CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2C[N@@H+](C)Cc2ccccc2)C1 ZINC000019016947 207099404 /nfs/dbraw/zinc/09/94/04/207099404.db2.gz YOCUUXZJXPRZLY-IBGZPJMESA-N 1 0 376.504 3.921 40 0 GHABRO CC(=O)N(C)C1CCC2(CC1)C[N@H+](Cc1cccc(C)n1)Cc1ccccc1O2 ZINC000019236341 207110206 /nfs/dbraw/zinc/11/02/06/207110206.db2.gz AGHAHFUWVIVHDD-UHFFFAOYSA-N 1 0 393.531 3.944 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)cc1O ZINC000019120757 207102760 /nfs/dbraw/zinc/10/27/60/207102760.db2.gz QNEPJOGDVSIGHN-CQSZACIVSA-N 1 0 386.477 3.595 40 0 GHABRO O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC000019336352 207116960 /nfs/dbraw/zinc/11/69/60/207116960.db2.gz LBHWKGOUYCMZRU-YPAWHYETSA-N 1 0 379.479 3.561 40 0 GHABRO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019369501 207118028 /nfs/dbraw/zinc/11/80/28/207118028.db2.gz YTPBYBOXURFVCX-QFIPXVFZSA-N 1 0 398.510 3.618 40 0 GHABRO CNc1ncc(CN(Cc2ccc(OC)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461005 207123311 /nfs/dbraw/zinc/12/33/11/207123311.db2.gz QOVPTJBLVHPOBN-UHFFFAOYSA-N 1 0 397.567 3.838 40 0 GHABRO C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C)n1cccn1 ZINC000019455386 207123791 /nfs/dbraw/zinc/12/37/91/207123791.db2.gz LXXWRSNWPBHUTH-DXKRWKNPSA-N 1 0 380.536 3.703 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)c1 ZINC000019496753 207125081 /nfs/dbraw/zinc/12/50/81/207125081.db2.gz DGGGXPGCZCYIGU-IBGZPJMESA-N 1 0 397.519 3.935 40 0 GHABRO CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](CC2CC2)C1 ZINC000019528733 207130795 /nfs/dbraw/zinc/13/07/95/207130795.db2.gz LKXMRRUAZXDBAX-DEOSSOPVSA-N 1 0 377.532 3.919 40 0 GHABRO CC(C)Cc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)[nH]n1 ZINC000019447429 207122315 /nfs/dbraw/zinc/12/23/15/207122315.db2.gz DFGXLECJTLLCAK-NNWRFLSQSA-N 1 0 398.526 3.888 40 0 GHABRO CSCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(C)nn(Cc2ccccc2)c1C ZINC000019578350 207138190 /nfs/dbraw/zinc/13/81/90/207138190.db2.gz WCJXMESUUHRYGC-VXKWHMMOSA-N 1 0 398.620 3.950 40 0 GHABRO C[NH+](C)CCn1nc([C@H]2CCN(C(=O)CCC3CCCCC3)C2)c2cccnc21 ZINC000019583167 207139053 /nfs/dbraw/zinc/13/90/53/207139053.db2.gz IOGXASTWGSUACY-IBGZPJMESA-N 1 0 397.567 3.669 40 0 GHABRO COc1ccc([C@@]2(O)C[N+](c3cccc(C)c3C)=C3CCCCN32)cc1OC ZINC000022407375 207254156 /nfs/dbraw/zinc/25/41/56/207254156.db2.gz NJWXCTDDGUGMBQ-QHCPKHFHSA-N 1 0 381.496 3.581 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cncc(Oc4cccc(C)c4)n3)C2)CC1 ZINC000072363023 208004574 /nfs/dbraw/zinc/00/45/74/208004574.db2.gz VSCIMMOSBYPWGW-LJQANCHMSA-N 1 0 394.519 3.768 40 0 GHABRO C[N@@H+]1CCC[C@@H](c2cccc(CC3(C(=O)Nc4nccs4)CCOCC3)c2)C1 ZINC000072372240 208005425 /nfs/dbraw/zinc/00/54/25/208005425.db2.gz WFIBNKCJALTPHC-LJQANCHMSA-N 1 0 399.560 3.930 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 ZINC000072374732 208008168 /nfs/dbraw/zinc/00/81/68/208008168.db2.gz LKYUGUACHBGOCL-HXUWFJFHSA-N 1 0 383.511 3.778 40 0 GHABRO Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374831 208009644 /nfs/dbraw/zinc/00/96/44/208009644.db2.gz HYUPURVLKCUJLN-LJQANCHMSA-N 1 0 393.535 3.721 40 0 GHABRO O=C(N[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1cccnc1 ZINC000096090507 208263747 /nfs/dbraw/zinc/26/37/47/208263747.db2.gz HMQUNZQNORWMFU-HXUWFJFHSA-N 1 0 377.488 3.580 40 0 GHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 ZINC000100750216 208381038 /nfs/dbraw/zinc/38/10/38/208381038.db2.gz AKQJVCYMGPJCCQ-IEGUWTFLSA-N 1 0 383.511 3.989 40 0 GHABRO O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CC[NH+](C1CCC1)CC2 ZINC000306124485 209097577 /nfs/dbraw/zinc/09/75/77/209097577.db2.gz BRAHFEOBKPBHAC-UHFFFAOYSA-N 1 0 382.529 3.880 40 0 GHABRO Cc1ncsc1-c1ccc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)cn1 ZINC000257205633 209055281 /nfs/dbraw/zinc/05/52/81/209055281.db2.gz AZYLLQQFUJOYHA-RXVVDRJESA-N 1 0 384.549 3.993 40 0 GHABRO CC(C)[NH+]1CCC(c2cncc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1 ZINC000257211358 209056043 /nfs/dbraw/zinc/05/60/43/209056043.db2.gz BYPBBSIKQOTTIH-IBGZPJMESA-N 1 0 380.492 3.632 40 0 GHABRO COc1ccccc1C[NH+]1CCC(c2n[nH]cc2C(=O)N2CCCCCC2)CC1 ZINC000257245144 209059518 /nfs/dbraw/zinc/05/95/18/209059518.db2.gz IOFSYTAQSSZKHY-UHFFFAOYSA-N 1 0 396.535 3.814 40 0 GHABRO COc1cccc2c1OC1(CC[NH+](CC3CCOCC3)CC1)[C@H]1CCCO[C@H]21 ZINC000257272722 209065072 /nfs/dbraw/zinc/06/50/72/209065072.db2.gz NDNUDBRTAFWHIC-PZJWPPBQSA-N 1 0 387.520 3.817 40 0 GHABRO CCc1onc(C)c1-c1cccc(C2CCN(C(=O)C[NH+]3CCCCC3)CC2)n1 ZINC000257285280 209069486 /nfs/dbraw/zinc/06/94/86/209069486.db2.gz PGKZLXMYSARYDZ-UHFFFAOYSA-N 1 0 396.535 3.799 40 0 GHABRO COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000072350380 222238465 /nfs/dbraw/zinc/23/84/65/222238465.db2.gz MDRIHJPDCNQFQB-IBGZPJMESA-N 1 0 393.531 3.805 40 0 GHABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113951694 535818143 /nfs/dbraw/zinc/81/81/43/535818143.db2.gz VEXCFDSFTXOIMG-OAQYLSRUSA-N 1 0 381.520 3.851 40 0 GHABRO C[C@@]1(O)CC[N@H+](CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383324 570354052 /nfs/dbraw/zinc/35/40/52/570354052.db2.gz WJFYZNUWMFRXIN-QNWVGRARSA-N 1 0 382.479 3.532 40 0 biogenic,in-vitro GHABRO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000026781102 570408733 /nfs/dbraw/zinc/40/87/33/570408733.db2.gz BUIKNSFVFCAGFF-OAQYLSRUSA-N 1 0 382.548 3.854 40 0 GHABRO Cc1ccc(C(=O)CCC[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 ZINC000035315427 570469501 /nfs/dbraw/zinc/46/95/01/570469501.db2.gz SUMPMVKUAOKVJL-UHFFFAOYSA-N 1 0 382.479 3.991 40 0 GHABRO COc1ccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccnc2)cc1 ZINC000000876236 570504195 /nfs/dbraw/zinc/50/41/95/570504195.db2.gz LTOHDIRPBXUGAO-UHFFFAOYSA-N 1 0 395.532 3.916 40 0 GHABRO O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224828627 570532852 /nfs/dbraw/zinc/53/28/52/570532852.db2.gz FDAMSPMOCXBHIR-UHFFFAOYSA-N 1 0 392.952 3.946 40 0 GHABRO COc1cccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224836554 570533343 /nfs/dbraw/zinc/53/33/43/570533343.db2.gz MMYJEDGLNLEYRB-SFHVURJKSA-N 1 0 382.504 3.765 40 0 GHABRO Cc1ccccc1-c1noc(CN(C)C(=O)c2ccc(Cn3ccnc3)cc2)n1 ZINC000225199724 570555150 /nfs/dbraw/zinc/55/51/50/570555150.db2.gz CEVHMCFCPZVYDR-UHFFFAOYSA-N 1 0 387.443 3.562 40 0 GHABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225730003 570610169 /nfs/dbraw/zinc/61/01/69/570610169.db2.gz AZRGLOVDEHRBBK-IYBDPMFKSA-N 1 0 391.581 3.826 40 0 GHABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1Cn1ccnc1 ZINC000012117049 570611537 /nfs/dbraw/zinc/61/15/37/570611537.db2.gz BTVFXQINXVYZRN-UHFFFAOYSA-N 1 0 395.478 3.563 40 0 GHABRO COc1cc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cc1OC ZINC000012187419 570621369 /nfs/dbraw/zinc/62/13/69/570621369.db2.gz JTGGPNLDNYQYNO-LJQANCHMSA-N 1 0 399.487 3.922 40 0 GHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000004231312 570622341 /nfs/dbraw/zinc/62/23/41/570622341.db2.gz ARHLQVRIRISOGW-UHFFFAOYSA-N 1 0 396.466 3.571 40 0 GHABRO COc1cccc([C@H](O)C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012292520 570633255 /nfs/dbraw/zinc/63/32/55/570633255.db2.gz BLHAWXNGVAHDFH-LJQANCHMSA-N 1 0 395.421 3.731 40 0 GHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012293724 570634495 /nfs/dbraw/zinc/63/44/95/570634495.db2.gz WAINOKZUJMAMQA-WOJBJXKFSA-N 1 0 389.442 3.657 40 0 GHABRO Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044852834 570636292 /nfs/dbraw/zinc/63/62/92/570636292.db2.gz DZYSEYKJUVIBOO-AZUAARDMSA-N 1 0 384.495 3.930 40 0 GHABRO COc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044908689 570642230 /nfs/dbraw/zinc/64/22/30/570642230.db2.gz WFVOUYOYNVOXMB-SFHVURJKSA-N 1 0 382.504 3.878 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc1 ZINC000012328587 570643772 /nfs/dbraw/zinc/64/37/72/570643772.db2.gz KEEXBOZJTMWZRK-UHFFFAOYSA-N 1 0 376.460 3.632 40 0 GHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013676588 570772121 /nfs/dbraw/zinc/77/21/21/570772121.db2.gz HGSIMIKVWUOIQA-OKILXGFUSA-N 1 0 393.380 3.781 40 0 GHABRO COc1ccccc1[C@@]1(O)CCC[C@H]2C[N@H+](Cc3cnc(C(C)C)nc3)C[C@H]21 ZINC000072340982 570880966 /nfs/dbraw/zinc/88/09/66/570880966.db2.gz ZMAOSUYZYDLIEB-NOXFTYBFSA-N 1 0 381.520 3.728 40 0 GHABRO COCC[N@@H+]1CCC[C@@]12CCCN(C(=O)CCCc1c[nH]c3ccccc13)CC2 ZINC000585100693 570925206 /nfs/dbraw/zinc/92/52/06/570925206.db2.gz SYEVAOMKDAHUIJ-XMMPIXPASA-N 1 0 397.563 3.984 40 0 GHABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1C[C@@H]1CCCO1 ZINC000585099817 570925911 /nfs/dbraw/zinc/92/59/11/570925911.db2.gz CLQKNKRDZVNVIB-UPVQGACJSA-N 1 0 382.548 3.701 40 0 GHABRO Cc1cccc(C[N@H+]2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)c1 ZINC000585104778 570933582 /nfs/dbraw/zinc/93/35/82/570933582.db2.gz SZGNEPFJFYQHTA-RDPSFJRHSA-N 1 0 378.516 3.807 40 0 GHABRO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]21 ZINC000585109745 570938208 /nfs/dbraw/zinc/93/82/08/570938208.db2.gz NXIAXLROTXEFLD-JAXLGGSGSA-N 1 0 378.520 3.501 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019570206 856421417 /nfs/dbraw/zinc/42/14/17/856421417.db2.gz AOBDGEUISKTNJI-DENIHFKCSA-N 1 0 379.504 3.570 40 0 GHABRO Cc1nc(-c2cncnc2[C@H]2CC[N@H+](Cc3c(C)[nH]c4ccc(F)cc43)C2)no1 ZINC000019693809 856423593 /nfs/dbraw/zinc/42/35/93/856423593.db2.gz FVUCYVSVVSJNRQ-AWEZNQCLSA-N 1 0 392.438 3.753 40 0 GHABRO Cc1noc(C)c1CC(=O)N1CCCCC[C@@H]2[NH2+][C@H](Cc3ccccc3)C[C@@]21C ZINC000019713488 856427970 /nfs/dbraw/zinc/42/79/70/856427970.db2.gz ITAYUGVYBRBWEA-SFLYRZDNSA-N 1 0 395.547 3.968 40 0 GHABRO C[NH2+]Cc1cc([C@H]2CC[C@H](CN(C)C(=O)Cc3ccc(C)c(C)c3)CC2)nn1C ZINC000257264084 858619050 /nfs/dbraw/zinc/61/90/50/858619050.db2.gz LSVNAUDWXKDJBM-XUTJKUGGSA-N 1 0 396.579 3.731 40 0 GHABRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CC[C@]3(C1)COCc1cnc(NC4CC4)nc13)=CC2 ZINC000306142590 209109234 /nfs/dbraw/zinc/10/92/34/209109234.db2.gz XDXZTBOPFRAGOW-LTMIRXACSA-N 1 0 380.536 3.517 40 0 GHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306144471 209108698 /nfs/dbraw/zinc/10/86/98/209108698.db2.gz ZGCTZEIPAMHXRI-VQTJNVASSA-N 1 0 381.476 3.770 40 0 GHABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)c(Cl)c1 ZINC000328978812 206238825 /nfs/dbraw/zinc/23/88/25/206238825.db2.gz GBTLQHDAGBLPJM-UHFFFAOYSA-N 1 0 381.911 3.666 40 0 GHABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000027666049 206253832 /nfs/dbraw/zinc/25/38/32/206253832.db2.gz WVHQPKDRIRFTHH-ZTLYHTANSA-N 1 0 379.585 3.594 40 0 GHABRO c1ccc(Nc2nc(NCCC3=CCCCC3)nc(N3CCOCC3)n2)cc1 ZINC000001440018 206381572 /nfs/dbraw/zinc/38/15/72/206381572.db2.gz WIOGZHGLPOBFTM-UHFFFAOYSA-N 1 0 380.496 3.754 40 0 GHABRO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(C)c4)C[C@@H]32)cs1 ZINC000306140891 209106641 /nfs/dbraw/zinc/10/66/41/209106641.db2.gz VGEVRNGKYZLVRB-SFTDATJTSA-N 1 0 392.528 3.643 40 0 GHABRO CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000019086090 207102507 /nfs/dbraw/zinc/10/25/07/207102507.db2.gz NKYPNBFWGQSYON-YPAWHYETSA-N 1 0 381.495 3.693 40 0 GHABRO Cc1cc(C(F)(F)F)n2nc(C3CC[NH+](Cc4cccnc4)CC3)cc2n1 ZINC000019117217 207102619 /nfs/dbraw/zinc/10/26/19/207102619.db2.gz YSMPKILDXCMVEE-UHFFFAOYSA-N 1 0 375.398 3.831 40 0 GHABRO Cc1ccc2occ(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3Cc3ccccc3)c(=O)c2c1 ZINC000019219845 207107460 /nfs/dbraw/zinc/10/74/60/207107460.db2.gz NUHYRBUQVIZZJC-VXKWHMMOSA-N 1 0 388.511 3.993 40 0 GHABRO COc1ccc(OC)c(C[NH2+][C@@H]2CCCN(C(C)=O)[C@H]2c2ccc(C)s2)c1 ZINC000019217322 207107787 /nfs/dbraw/zinc/10/77/87/207107787.db2.gz YFOPUKPRBAQHJQ-WIYYLYMNSA-N 1 0 388.533 3.916 40 0 GHABRO Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019236742 207108863 /nfs/dbraw/zinc/10/88/63/207108863.db2.gz MPSHUDMLFFDZLS-LJQANCHMSA-N 1 0 390.487 3.805 40 0 GHABRO Clc1ccc(CN2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1Cl ZINC000019292968 207114841 /nfs/dbraw/zinc/11/48/41/207114841.db2.gz DVKWKYBJOUVIMM-CQSZACIVSA-N 1 0 377.319 3.809 40 0 GHABRO O=C(NCc1noc(-c2ccc(Cl)cc2)n1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000019369177 207117941 /nfs/dbraw/zinc/11/79/41/207117941.db2.gz DIQZLJKOSOBJHG-IBGZPJMESA-N 1 0 396.878 3.843 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccs1 ZINC000019400743 207119933 /nfs/dbraw/zinc/11/99/33/207119933.db2.gz BMSUIFSKDWZQQA-WIYYLYMNSA-N 1 0 392.528 3.921 40 0 GHABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)no1)N1CCCC1 ZINC000019376078 207120177 /nfs/dbraw/zinc/12/01/77/207120177.db2.gz POQNSJPWSYDTEO-GOSISDBHSA-N 1 0 390.487 3.838 40 0 GHABRO CC(C)Oc1cccc(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019450879 207122463 /nfs/dbraw/zinc/12/24/63/207122463.db2.gz HPEBKWHNULPIBN-QFIPXVFZSA-N 1 0 380.536 3.979 40 0 GHABRO Cc1cc(C)c2cc(C[NH2+]Cc3ccccc3Cl)c3nn(C)c(=O)n3c2c1 ZINC000019569367 207136055 /nfs/dbraw/zinc/13/60/55/207136055.db2.gz SJLLWWRUGRZIFE-UHFFFAOYSA-N 1 0 380.879 3.746 40 0 GHABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)CCc1cccnc1)Cc1ccccc1O2 ZINC000019583902 207139231 /nfs/dbraw/zinc/13/92/31/207139231.db2.gz JLRTWBRXQGTVFF-UHFFFAOYSA-N 1 0 393.531 3.678 40 0 GHABRO COc1cccc([C@H]2CN(C(=O)c3c(C)oc4c3CCCC4)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019581307 207139716 /nfs/dbraw/zinc/13/97/16/207139716.db2.gz DEDDJNWDYZJKLO-TXTKFYIRSA-N 1 0 394.515 3.836 40 0 GHABRO O=C(C[NH+]1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCCC1 ZINC000019690273 207149386 /nfs/dbraw/zinc/14/93/86/207149386.db2.gz NRWRAYVWSVWJKZ-UHFFFAOYSA-N 1 0 381.495 3.613 40 0 GHABRO Fc1ccccc1-c1ccccc1CN1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019706395 207150056 /nfs/dbraw/zinc/15/00/56/207150056.db2.gz XAMGKNRAHIWBLD-NRFANRHFSA-N 1 0 391.494 3.567 40 0 GHABRO Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c2n1 ZINC000019714904 207153090 /nfs/dbraw/zinc/15/30/90/207153090.db2.gz BDNXLGMAISYKKB-UHFFFAOYSA-N 1 0 385.418 3.823 40 0 GHABRO C[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)n1c2ccccc2nc1C(F)(F)F ZINC000019718386 207155853 /nfs/dbraw/zinc/15/58/53/207155853.db2.gz BOCYMZZVHROIBR-ZDUSSCGKSA-N 1 0 382.430 3.607 40 0 GHABRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)n1 ZINC000019718347 207155878 /nfs/dbraw/zinc/15/58/78/207155878.db2.gz LPSHUKCNGIUGAS-GOSISDBHSA-N 1 0 386.927 3.843 40 0 GHABRO COC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000030946433 207377818 /nfs/dbraw/zinc/37/78/18/207377818.db2.gz BWBOTMDLDPCKIO-KRWDZBQOSA-N 1 0 386.879 3.977 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352545 208001547 /nfs/dbraw/zinc/00/15/47/208001547.db2.gz SRTFOVMKJFEPIA-MRXNPFEDSA-N 1 0 388.496 3.933 40 0 GHABRO Cc1ccccc1-c1cncc(C2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000072359363 208002171 /nfs/dbraw/zinc/00/21/71/208002171.db2.gz GOBBDVUECCDMPG-UHFFFAOYSA-N 1 0 378.520 3.644 40 0 GHABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398569 208013904 /nfs/dbraw/zinc/01/39/04/208013904.db2.gz OEQRTXAFJKWUBA-KNQAVFIVSA-N 1 0 393.531 3.878 40 0 GHABRO COCCN(C)c1nc(C2CC[NH+](CC3CC3)CC2)cc2c1ncn2C(C)C ZINC000096155661 208278662 /nfs/dbraw/zinc/27/86/62/208278662.db2.gz LDSAKUNQIMHEPH-UHFFFAOYSA-N 1 0 385.556 3.684 40 0 GHABRO CN1CCn2c(-c3cccc(F)c3)cnc2C12CC[NH+](Cc1ccco1)CC2 ZINC000096036958 208255717 /nfs/dbraw/zinc/25/57/17/208255717.db2.gz FRDKZFOZYCTQJD-UHFFFAOYSA-N 1 0 380.467 3.719 40 0 GHABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053329 208257535 /nfs/dbraw/zinc/25/75/35/208257535.db2.gz QCFJVGVWCVNLID-HXUWFJFHSA-N 1 0 393.531 3.897 40 0 GHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(S(=O)(=O)c4cccc(C)c4)C3)C2)o1 ZINC000096215908 208286733 /nfs/dbraw/zinc/28/67/33/208286733.db2.gz IOPCYLVNCWBWOL-NRFANRHFSA-N 1 0 388.533 3.573 40 0 GHABRO O=C(c1ccno1)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242449 208292810 /nfs/dbraw/zinc/29/28/10/208292810.db2.gz XBMVIWOJRSFQAG-UHFFFAOYSA-N 1 0 379.504 3.854 40 0 GHABRO Cc1ccc(C2(C(=O)N3Cc4cc(C)ccc4OC[C@@H]3C[NH+](C)C)CC2)cc1 ZINC000100738676 208377933 /nfs/dbraw/zinc/37/79/33/208377933.db2.gz RAFOZNOMTLAQQJ-NRFANRHFSA-N 1 0 378.516 3.686 40 0 GHABRO CO[C@H]1CC[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)CC1 ZINC000100749571 208380699 /nfs/dbraw/zinc/38/06/99/208380699.db2.gz KUVZZLHENCPOBW-QTQOVQFESA-N 1 0 388.527 3.858 40 0 GHABRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)s1 ZINC000306136023 209104546 /nfs/dbraw/zinc/10/45/46/209104546.db2.gz PGWWMKSKCKFEBC-LEWJYISDSA-N 1 0 377.513 3.940 40 0 GHABRO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc(F)cc4)C2)OC3)cc1 ZINC000306137432 209103783 /nfs/dbraw/zinc/10/37/83/209103783.db2.gz QWBFRFKDZQHSFZ-QHCPKHFHSA-N 1 0 393.462 3.873 40 0 GHABRO COc1ccccc1O[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224840239 208934745 /nfs/dbraw/zinc/93/47/45/208934745.db2.gz DYONZPPIRPMJCV-GOSISDBHSA-N 1 0 382.504 3.765 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)cc1 ZINC000306126438 209097599 /nfs/dbraw/zinc/09/75/99/209097599.db2.gz DVWXTTQKPJHZCK-OAQYLSRUSA-N 1 0 381.501 3.795 40 0 GHABRO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc1C ZINC000257286793 209069022 /nfs/dbraw/zinc/06/90/22/209069022.db2.gz PNBHHXCCTJBIFG-LJQANCHMSA-N 1 0 398.526 3.633 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)c1 ZINC000072341413 222232105 /nfs/dbraw/zinc/23/21/05/222232105.db2.gz IVCPPTPTNOGADB-HKUYNNGSSA-N 1 0 387.549 3.877 40 0 GHABRO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](CC[C@@H](C)c2ccccc2)C3)C1 ZINC000072390915 222247413 /nfs/dbraw/zinc/24/74/13/222247413.db2.gz VMDYUJXHFVICHB-WIYYLYMNSA-N 1 0 392.547 3.754 40 0 GHABRO C[C@H](O)C[NH2+]CCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022075032 534087657 /nfs/dbraw/zinc/08/76/57/534087657.db2.gz GYZCLJRPAIVFGV-AWEZNQCLSA-N 1 0 383.319 3.632 40 0 GHABRO CC1CCN(C(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000409185664 528223265 /nfs/dbraw/zinc/22/32/65/528223265.db2.gz OHNPJMPXKFUWFR-UHFFFAOYSA-N 1 0 391.559 3.877 40 0 GHABRO OC1(c2csc(CN3CCc4ccccc4C3)n2)CC[NH+](C2CCCC2)CC1 ZINC000225473549 560043212 /nfs/dbraw/zinc/04/32/12/560043212.db2.gz HKYKGMRAGINNBY-UHFFFAOYSA-N 1 0 397.588 3.927 40 0 biogenic,in-vitro GHABRO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3CCCc3ccccc3)n2)cn1 ZINC000035426251 560080539 /nfs/dbraw/zinc/08/05/39/560080539.db2.gz GXNNLRSTPGJMMM-IBGZPJMESA-N 1 0 377.492 3.967 40 0 biogenic,in-vitro GHABRO c1cc(-c2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCOCC4)n3)cn2)ccn1 ZINC000049155500 560083885 /nfs/dbraw/zinc/08/38/85/560083885.db2.gz KXAVWCXTOOHUST-IBGZPJMESA-N 1 0 377.448 3.510 40 0 biogenic,in-vitro GHABRO CCOCCOc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C)cc2C)cc1 ZINC000585269796 570238824 /nfs/dbraw/zinc/23/88/24/570238824.db2.gz JXWNYXGEKSSCKM-OAQYLSRUSA-N 1 0 387.520 3.590 40 0 GHABRO Cc1cccc(OC[C@@]2(O)C[N@@H+]([C@H]3CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 ZINC000585284250 570253379 /nfs/dbraw/zinc/25/33/79/570253379.db2.gz WGFLYQPMEXEKOC-TWVZQSRDSA-N 1 0 395.543 3.898 40 0 GHABRO COc1cccc(CC[NH2+][C@H]2CCCN(C(C)=O)[C@H]2Cc2ccc(C)cc2)c1 ZINC000585284844 570253706 /nfs/dbraw/zinc/25/37/06/570253706.db2.gz IONAMIHHDBLPHK-ZEQRLZLVSA-N 1 0 380.532 3.758 40 0 GHABRO Clc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000107248564 570309022 /nfs/dbraw/zinc/30/90/22/570309022.db2.gz ANNRKDDJFRFZTF-JOCHJYFZSA-N 1 0 392.890 3.866 40 0 GHABRO CC(=O)NCC1(c2ccccc2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000004214717 570363033 /nfs/dbraw/zinc/36/30/33/570363033.db2.gz VDGZERMDPAAZEJ-UHFFFAOYSA-N 1 0 396.506 3.959 40 0 in-man GHABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Cc1ccccc1)C2 ZINC000035290520 570457772 /nfs/dbraw/zinc/45/77/72/570457772.db2.gz XWFPOWKBHQSEEQ-FRIKZZABSA-N 1 0 378.516 3.940 40 0 GHABRO COC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1 ZINC000243562256 570457896 /nfs/dbraw/zinc/45/78/96/570457896.db2.gz OMSHUYTZAYDRLY-UHFFFAOYSA-N 1 0 391.475 3.647 40 0 GHABRO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)COc1ccccc1 ZINC000257321467 570487397 /nfs/dbraw/zinc/48/73/97/570487397.db2.gz WBUQLRQZRBLCBL-OAQYLSRUSA-N 1 0 378.472 3.532 40 0 GHABRO CC(C)[NH2+]C[C@@H](O)[C@](C)(O)CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000035139414 570549736 /nfs/dbraw/zinc/54/97/36/570549736.db2.gz AWNRMTDUYIOMRL-RBNCMVKRSA-N 1 0 383.617 3.870 40 0 GHABRO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(OC)c1OC ZINC000010456682 570570837 /nfs/dbraw/zinc/57/08/37/570570837.db2.gz IPVKVFWYTNMAIM-UHFFFAOYSA-N 1 0 398.503 3.628 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000225729934 570610307 /nfs/dbraw/zinc/61/03/07/570610307.db2.gz GKZUZUIVAXKDKV-HZPDHXFCSA-N 1 0 391.581 3.826 40 0 GHABRO COc1cccc(-c2n[nH]cc2C[NH+]2CCC(O)(c3ccccc3C)CC2)c1 ZINC000012116819 570611561 /nfs/dbraw/zinc/61/15/61/570611561.db2.gz KYEBLMKDZXHTKI-UHFFFAOYSA-N 1 0 377.488 3.877 40 0 GHABRO O=C(COc1cccc(C(F)(F)F)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225814429 570620614 /nfs/dbraw/zinc/62/06/14/570620614.db2.gz VACAQUAGBDFNGF-UHFFFAOYSA-N 1 0 392.421 3.649 40 0 GHABRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1OC ZINC000044882866 570638669 /nfs/dbraw/zinc/63/86/69/570638669.db2.gz YMJCBPFHECAAHJ-UHFFFAOYSA-N 1 0 398.503 3.628 40 0 GHABRO CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044911440 570642439 /nfs/dbraw/zinc/64/24/39/570642439.db2.gz ZGWCRIWPJZEXTB-SFHVURJKSA-N 1 0 384.451 3.853 40 0 GHABRO Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257234811 570766555 /nfs/dbraw/zinc/76/65/55/570766555.db2.gz GVEIOGCTEZBVAI-FCQWJQKHSA-N 1 0 396.560 3.991 40 0 GHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 ZINC000257202139 570887801 /nfs/dbraw/zinc/88/78/01/570887801.db2.gz AKQJVCYMGPJCCQ-PMAPCBKXSA-N 1 0 383.511 3.989 40 0 GHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)Cc3ccc(C)c(C)c3)n(C)n2)CC1 ZINC000257337017 570909183 /nfs/dbraw/zinc/90/91/83/570909183.db2.gz YQZPLISGUAAGJI-XUTJKUGGSA-N 1 0 396.579 3.731 40 0 GHABRO CC(C)C[C@@H](O)C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100399 570924747 /nfs/dbraw/zinc/92/47/47/570924747.db2.gz OWRHDWLJQHEVPC-IRLDBZIGSA-N 1 0 376.516 3.580 40 0 GHABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)cc1F ZINC000585104556 570933057 /nfs/dbraw/zinc/93/30/57/570933057.db2.gz QDFVENMSQUKVPV-YLJYHZDGSA-N 1 0 388.527 3.877 40 0 GHABRO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020139915 570942008 /nfs/dbraw/zinc/94/20/08/570942008.db2.gz WWKVORDRSPNWKS-NRFANRHFSA-N 1 0 396.583 3.858 40 0 GHABRO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009063489 856409923 /nfs/dbraw/zinc/40/99/23/856409923.db2.gz JWXBPDOBTXHPNK-UHFFFAOYSA-N 1 0 399.485 3.526 40 0 GHABRO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062556 856410010 /nfs/dbraw/zinc/41/00/10/856410010.db2.gz VJKYPWGFGBKFOP-LJQANCHMSA-N 1 0 396.531 3.799 40 0 GHABRO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009063392 856410023 /nfs/dbraw/zinc/41/00/23/856410023.db2.gz DXLMRIRIWUIHQT-UHFFFAOYSA-N 1 0 386.923 3.920 40 0 GHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@H+]2Cc1cnn(C)c1C ZINC000019712909 856427022 /nfs/dbraw/zinc/42/70/22/856427022.db2.gz UWZFZLFXLLYVAP-SMIHKQSGSA-N 1 0 394.563 3.705 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306144472 209109122 /nfs/dbraw/zinc/10/91/22/209109122.db2.gz ZGCTZEIPAMHXRI-WOJBJXKFSA-N 1 0 381.476 3.770 40 0 GHABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2N)CC1 ZINC000226263541 206258440 /nfs/dbraw/zinc/25/84/40/206258440.db2.gz BHWCKYSKZNMHFD-UHFFFAOYSA-N 1 0 393.318 3.970 40 0 GHABRO Cc1ccc2c(c1)oc(Br)c2CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000027587495 206253486 /nfs/dbraw/zinc/25/34/86/206253486.db2.gz RMSANHCLRGHMKE-UHFFFAOYSA-N 1 0 379.298 3.599 40 0 GHABRO Cc1noc(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198654 206287082 /nfs/dbraw/zinc/28/70/82/206287082.db2.gz FNTZOFACFLKARG-KLJZETAQSA-N 1 0 383.536 3.646 40 0 GHABRO COc1ccc(C[NH2+]CCc2cc(OC)c(Br)cc2OC)cc1 ZINC000013737387 206995677 /nfs/dbraw/zinc/99/56/77/206995677.db2.gz FSHVGXBAVZIZCK-UHFFFAOYSA-N 1 0 380.282 3.807 40 0 in-vitro GHABRO COc1ccc(C[N@@H+](Cc2ccc3nccnc3c2)C[C@H]2CCCO2)cc1OC ZINC000013994203 207006596 /nfs/dbraw/zinc/00/65/96/207006596.db2.gz RXTQRYCKKPGRCT-LJQANCHMSA-N 1 0 393.487 3.828 40 0 GHABRO Cc1nc([C@@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2cccc(F)c2)cc(=O)[nH]1 ZINC000019285170 207111315 /nfs/dbraw/zinc/11/13/15/207111315.db2.gz IMOQZJKWJURVKJ-HXUWFJFHSA-N 1 0 376.435 3.772 40 0 GHABRO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019334046 207116544 /nfs/dbraw/zinc/11/65/44/207116544.db2.gz GZSYVDCWMNDNQN-GOSISDBHSA-N 1 0 394.450 3.518 40 0 GHABRO CCCN1CC[N@H+](CC2CC2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503336 207126782 /nfs/dbraw/zinc/12/67/82/207126782.db2.gz FJPOMCPEMSPQBT-QFIPXVFZSA-N 1 0 377.532 3.872 40 0 GHABRO CCc1oc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019521351 207127487 /nfs/dbraw/zinc/12/74/87/207127487.db2.gz WAJVHZRJDLSQMP-NWMVZANLSA-N 1 0 379.504 3.848 40 0 GHABRO COc1ccccc1C[N@@H+]1C[C@@H](c2cc(F)ccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000019570742 207136028 /nfs/dbraw/zinc/13/60/28/207136028.db2.gz HXITVAVYXZHMAQ-PGRDOPGGSA-N 1 0 386.442 3.612 40 0 GHABRO Cc1noc(C)c1Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC000019581034 207139536 /nfs/dbraw/zinc/13/95/36/207139536.db2.gz ORXWJTBGOHDOEM-GOSISDBHSA-N 1 0 385.508 3.956 40 0 GHABRO Cc1ccc(C2(C(=O)N(C)Cc3cc([C@H]4CCC[NH2+]C4)nn3C)CCCC2)cc1 ZINC000019709155 207150453 /nfs/dbraw/zinc/15/04/53/207150453.db2.gz YOPOZJHPSTWINE-IBGZPJMESA-N 1 0 394.563 3.666 40 0 GHABRO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCC[NH2+]4)cc(C(F)(F)F)c23)n1 ZINC000019703373 207149814 /nfs/dbraw/zinc/14/98/14/207149814.db2.gz LWZFMCCMIPSIPX-ZDUSSCGKSA-N 1 0 376.386 3.717 40 0 GHABRO Cn1nccc1C[NH+]1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 ZINC000019743947 207156813 /nfs/dbraw/zinc/15/68/13/207156813.db2.gz USOZKCKGFYGOOH-QHCPKHFHSA-N 1 0 394.563 3.504 40 0 GHABRO COc1ccc(Br)cc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019831582 207164897 /nfs/dbraw/zinc/16/48/97/207164897.db2.gz FRJUIIYCYYSTGB-IXDOHACOSA-N 1 0 391.353 3.788 40 0 GHABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)c1OC ZINC000022076080 207246945 /nfs/dbraw/zinc/24/69/45/207246945.db2.gz NGBUTBOLXGEAGG-INIZCTEOSA-N 1 0 380.282 3.680 40 0 GHABRO COc1cc(CCN2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc(OC)c1OC ZINC000022859153 207263507 /nfs/dbraw/zinc/26/35/07/207263507.db2.gz AEEUODCKQZIBMJ-SFHVURJKSA-N 1 0 384.520 3.634 40 0 GHABRO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCN1CCOCC1 ZINC000023469467 207278022 /nfs/dbraw/zinc/27/80/22/207278022.db2.gz SOMNGUIHXAEILI-UHFFFAOYSA-N 1 0 394.490 3.980 40 0 GHABRO Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072353958 208001662 /nfs/dbraw/zinc/00/16/62/208001662.db2.gz TXKSENVLLIOWOG-OAQYLSRUSA-N 1 0 395.522 3.922 40 0 GHABRO Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072353813 208001927 /nfs/dbraw/zinc/00/19/27/208001927.db2.gz RHXKHAMKNMLFNQ-NRFANRHFSA-N 1 0 395.522 3.922 40 0 GHABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1C ZINC000072370354 208005061 /nfs/dbraw/zinc/00/50/61/208005061.db2.gz AKSFPIFOUDXTAP-INIZCTEOSA-N 1 0 382.533 3.510 40 0 GHABRO CC1CCN(C(=O)C[N@@H+]2CCC[C@H](c3cccc(Nc4ccccn4)n3)C2)CC1 ZINC000072375955 208007369 /nfs/dbraw/zinc/00/73/69/208007369.db2.gz WVZVGTCQJVIAIG-IBGZPJMESA-N 1 0 393.535 3.658 40 0 GHABRO Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(Nc3ccccn3)cc(C)[nH+]2)C1 ZINC000072374949 208010137 /nfs/dbraw/zinc/01/01/37/208010137.db2.gz SGJTULPHFFZGOV-QGZVFWFLSA-N 1 0 390.491 3.590 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053434 208257522 /nfs/dbraw/zinc/25/75/22/208257522.db2.gz FCPURGSYLPJMNR-LJQANCHMSA-N 1 0 391.515 3.651 40 0 GHABRO O=C(CCc1cccnc1)N1CC2(C1)CC[NH+](CCCc1ccccc1)CC2 ZINC000096071004 208258173 /nfs/dbraw/zinc/25/81/73/208258173.db2.gz VGJRQIJDGGBBMM-UHFFFAOYSA-N 1 0 377.532 3.571 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053417 208258501 /nfs/dbraw/zinc/25/85/01/208258501.db2.gz GJFMQUOVVRBDQT-GOSISDBHSA-N 1 0 380.488 3.849 40 0 GHABRO O=C(CCc1cccnc1)N1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071080 208258852 /nfs/dbraw/zinc/25/88/52/208258852.db2.gz OZRDNHUEBVJCAO-JOCHJYFZSA-N 1 0 383.923 3.935 40 0 GHABRO COCCn1c(C(=O)NCC[NH+]2CCCC2)cc2c1c1ccccc1n2C(C)C ZINC000096264186 208298017 /nfs/dbraw/zinc/29/80/17/208298017.db2.gz BUSBWISJIVQJDZ-UHFFFAOYSA-N 1 0 396.535 3.649 40 0 GHABRO COc1ccccc1C[N@@H+]1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306132024 209102394 /nfs/dbraw/zinc/10/23/94/209102394.db2.gz KVVYTEWGGDAHPE-XMMPIXPASA-N 1 0 386.499 3.649 40 0 GHABRO C[N@H+](Cc1ccccc1)C1CCN(Cc2nc(-c3cccnc3Cl)no2)CC1 ZINC000013996418 208788232 /nfs/dbraw/zinc/78/82/32/208788232.db2.gz WNKFFWZUJFDWRN-UHFFFAOYSA-N 1 0 397.910 3.881 40 0 GHABRO COc1ccc(-c2cccc3nc([C@H]4C[N@@H+](C5CCC5)CCN4C)cn32)cc1 ZINC000306130489 209100309 /nfs/dbraw/zinc/10/03/09/209100309.db2.gz JHZGKANWSVPPCW-JOCHJYFZSA-N 1 0 376.504 3.851 40 0 GHABRO O[C@@]1(c2ccc3c(c2)OCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 ZINC000027525127 208918388 /nfs/dbraw/zinc/91/83/88/208918388.db2.gz XNRYJGGCRCGSGW-OAQYLSRUSA-N 1 0 385.871 3.719 40 0 GHABRO O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000096268982 209014367 /nfs/dbraw/zinc/01/43/67/209014367.db2.gz QFCZTNIIFBNLBM-QNWVGRARSA-N 1 0 396.462 3.722 40 0 biogenic,in-vitro GHABRO Oc1cccc(C[NH+]2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)c1 ZINC000257213098 209057694 /nfs/dbraw/zinc/05/76/94/209057694.db2.gz CGDYSNWZDIIJSR-PZJWPPBQSA-N 1 0 381.472 3.993 40 0 GHABRO CC(C)[NH+]1CCC(Cc2cc(N3C(=O)OC[C@H]3Cc3ccccc3)ncn2)CC1 ZINC000257220634 209058168 /nfs/dbraw/zinc/05/81/68/209058168.db2.gz DLNWJLDKYCRJQO-OAQYLSRUSA-N 1 0 394.519 3.707 40 0 GHABRO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc(OC2CCCC2)cc1 ZINC000257272519 209063974 /nfs/dbraw/zinc/06/39/74/209063974.db2.gz NCRWHEKHCBGHJR-ZWKOTPCHSA-N 1 0 379.504 3.944 40 0 GHABRO Cc1nc(C2CC[NH+](C(C)C)CC2)cc(N2C(=O)OC[C@H]2Cc2ccccc2)n1 ZINC000257311461 209072748 /nfs/dbraw/zinc/07/27/48/209072748.db2.gz UJOBBABCGPYLSE-HXUWFJFHSA-N 1 0 394.519 3.941 40 0 GHABRO C[N@H+]1[C@@H]2CCC[C@@H]3N(C(=O)c4ccccn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257307734 209072373 /nfs/dbraw/zinc/07/23/73/209072373.db2.gz TTWFOMKNZOUGON-QMDPOKHVSA-N 1 0 375.516 3.780 40 0 GHABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)c3ccc(N)nc3)C2)[nH+]1 ZINC000257311593 209073006 /nfs/dbraw/zinc/07/30/06/209073006.db2.gz UKGIMVUNQJAFBP-INIZCTEOSA-N 1 0 391.450 3.880 40 0 GHABRO Cc1c(F)cccc1NC(=O)C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H]2COCC[C@H]21 ZINC000257318395 209073775 /nfs/dbraw/zinc/07/37/75/209073775.db2.gz VNTCVEJTOHYKLV-DBXWQHBBSA-N 1 0 386.442 3.716 40 0 GHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257339301 209078451 /nfs/dbraw/zinc/07/84/51/209078451.db2.gz ZBDUUPSJNFLFIE-FQEVSTJZSA-N 1 0 385.483 3.944 40 0 GHABRO CCOc1ccccc1-c1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)[nH]n1 ZINC000257334765 209079374 /nfs/dbraw/zinc/07/93/74/209079374.db2.gz YHHUIKFCTVASJF-UNMCSNQZSA-N 1 0 382.508 3.612 40 0 GHABRO COc1ccc2c(c1)c([C@@H]1C[N@H+](CCc3ccccc3)C[C@H]1N(C)C)cn2C ZINC000072395500 222252480 /nfs/dbraw/zinc/25/24/80/222252480.db2.gz QJGJGDRDZVBUNP-LADGPHEKSA-N 1 0 377.532 3.759 40 0 GHABRO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCC[NH2+]4)CC3)n2)s1 ZINC000585262672 570230716 /nfs/dbraw/zinc/23/07/16/570230716.db2.gz RATMJXRNDYMUEQ-SFHVURJKSA-N 1 0 399.564 3.692 40 0 GHABRO CCCc1cnc(Nc2cccc(C3CCN(C(=O)C[NH+](C)C)CC3)n2)s1 ZINC000585262884 570231318 /nfs/dbraw/zinc/23/13/18/570231318.db2.gz CGFYSPIWLVUAOP-UHFFFAOYSA-N 1 0 387.553 3.502 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3F)CC2)cc1 ZINC000585270157 570238664 /nfs/dbraw/zinc/23/86/64/570238664.db2.gz HJIIRNOLPDFLPA-JOCHJYFZSA-N 1 0 386.467 3.580 40 0 GHABRO C[NH+]1CCN(c2ccc([C@H]3CCCCN3C(=O)OCc3ccccc3)cn2)CC1 ZINC000072216553 570317345 /nfs/dbraw/zinc/31/73/45/570317345.db2.gz SIMJYTHVZIAWTF-OAQYLSRUSA-N 1 0 394.519 3.697 40 0 GHABRO C[NH+](C)CCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118915702 570367074 /nfs/dbraw/zinc/36/70/74/570367074.db2.gz PPMFMAOFTZHACB-OZZKZOCUSA-N 1 0 389.580 3.562 40 0 in-vitro GHABRO O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H](c1ccc3ccccc3n1)[N@H+]1CCC[C@@H]21 ZINC000033821677 570417351 /nfs/dbraw/zinc/41/73/51/570417351.db2.gz RKOONEMLJYTHIL-FNAHDJPLSA-N 1 0 383.451 3.560 40 0 GHABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)OCCO2 ZINC000222717308 570422063 /nfs/dbraw/zinc/42/20/63/570422063.db2.gz VODPWTMLRGZOHO-INIZCTEOSA-N 1 0 398.478 3.686 40 0 GHABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000222732848 570422963 /nfs/dbraw/zinc/42/29/63/570422963.db2.gz XYRZQTRYZQZELE-QFBILLFUSA-N 1 0 398.478 3.686 40 0 GHABRO COc1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)c(OC)c1 ZINC000243817967 570457867 /nfs/dbraw/zinc/45/78/67/570457867.db2.gz QTOHRGYPLBBDLN-UHFFFAOYSA-N 1 0 393.491 3.878 40 0 GHABRO COC(=O)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)c1 ZINC000035290836 570458384 /nfs/dbraw/zinc/45/83/84/570458384.db2.gz JMPBLADSRAXLPG-AYHJJNSGSA-N 1 0 399.516 3.852 40 0 GHABRO O=C(NCCOc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224533624 570516850 /nfs/dbraw/zinc/51/68/50/570516850.db2.gz HYOYSLZMRFCQPM-UHFFFAOYSA-N 1 0 390.886 3.886 40 0 GHABRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cc(F)ccc2OC)c(OC)c1 ZINC000036734408 570568550 /nfs/dbraw/zinc/56/85/50/570568550.db2.gz JUKSONIFRMKDHP-MOPGFXCFSA-N 1 0 375.440 3.722 40 0 GHABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851355 570587749 /nfs/dbraw/zinc/58/77/49/570587749.db2.gz CVAOYNGFRUQTQJ-IBGZPJMESA-N 1 0 399.485 3.526 40 0 GHABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C(C)(C)Br)cc2)C1 ZINC000225594482 570592361 /nfs/dbraw/zinc/59/23/61/570592361.db2.gz NSIVOPLCCOZMAP-AWEZNQCLSA-N 1 0 383.330 3.909 40 0 GHABRO O=C(COc1ccc2c(c1)CCCC2)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225663412 570599891 /nfs/dbraw/zinc/59/98/91/570599891.db2.gz AQYHKAWUBPLZPE-UHFFFAOYSA-N 1 0 378.516 3.509 40 0 GHABRO CCOc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)ccc1OC ZINC000012089071 570607167 /nfs/dbraw/zinc/60/71/67/570607167.db2.gz WDQXCDSCTSADTJ-LIMIJEPZSA-N 1 0 382.504 3.609 40 0 GHABRO CC(C)Oc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1 ZINC000012122032 570613072 /nfs/dbraw/zinc/61/30/72/570613072.db2.gz PHLSTONNTKIDIB-UHFFFAOYSA-N 1 0 376.460 3.590 40 0 GHABRO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012143787 570615273 /nfs/dbraw/zinc/61/52/73/570615273.db2.gz QJYPBGMPYUUHEZ-UHFFFAOYSA-N 1 0 392.478 3.919 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 ZINC000225818654 570621630 /nfs/dbraw/zinc/62/16/30/570621630.db2.gz NJPUZMSZMZFBFU-LJQANCHMSA-N 1 0 394.581 3.507 40 0 GHABRO Cc1cccc2cc(C(=O)Nc3nnc(CC[NH+]4CCCC4)s3)c(C)nc12 ZINC000012203382 570625092 /nfs/dbraw/zinc/62/50/92/570625092.db2.gz MOLFFMVFYSOEGI-UHFFFAOYSA-N 1 0 381.505 3.594 40 0 GHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293544 570633637 /nfs/dbraw/zinc/63/36/37/570633637.db2.gz HFIBPYNGULSOGC-FGZHOGPDSA-N 1 0 381.516 3.996 40 0 GHABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)ccc21 ZINC000012326493 570643152 /nfs/dbraw/zinc/64/31/52/570643152.db2.gz XPAIBSGIZFUMQR-VWLOTQADSA-N 1 0 392.543 3.974 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330207 570644739 /nfs/dbraw/zinc/64/47/39/570644739.db2.gz AKXALPNEXAIYSV-FCHUYYIVSA-N 1 0 397.490 3.699 40 0 GHABRO Fc1cccc(-c2cnc(Nc3cc(C[C@@H]4C[NH2+]CCOC4)ccn3)s2)c1 ZINC000585263280 570715541 /nfs/dbraw/zinc/71/55/41/570715541.db2.gz UWIAGEDQQWZFDD-OAHLLOKOSA-N 1 0 384.480 3.866 40 0 GHABRO CC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257234356 570766109 /nfs/dbraw/zinc/76/61/09/570766109.db2.gz GTDWLQIXDCNBEP-IBGZPJMESA-N 1 0 394.563 3.921 40 0 GHABRO COCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008469044 570770006 /nfs/dbraw/zinc/77/00/06/570770006.db2.gz GAYUGTGWCNZARQ-UHFFFAOYSA-N 1 0 398.272 3.912 40 0 GHABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccc3ncccc23)n1 ZINC000013992002 570868683 /nfs/dbraw/zinc/86/86/83/570868683.db2.gz CCYMSFZFRCDOHI-FQEVSTJZSA-N 1 0 390.487 3.704 40 0 GHABRO COC(=O)[C@@]1(Cc2ccc(F)cc2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340200 570880388 /nfs/dbraw/zinc/88/03/88/570880388.db2.gz SYYQGPPOANIFCN-ZRCGQRJVSA-N 1 0 381.447 3.534 40 0 GHABRO COCC[N@@H+]1CCC[C@]12CCCN(C(=O)c1cc3cccc(OC)c3o1)CC2 ZINC000585100212 570924163 /nfs/dbraw/zinc/92/41/63/570924163.db2.gz HRBNSSOKTYVHJH-QFIPXVFZSA-N 1 0 386.492 3.549 40 0 GHABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21)c1ccncc1 ZINC000585109765 570938541 /nfs/dbraw/zinc/93/85/41/570938541.db2.gz QTUVKBYNOYCYOD-RJGXRXQPSA-N 1 0 387.458 3.921 40 0 GHABRO CSc1cccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000328960017 571047307 /nfs/dbraw/zinc/04/73/07/571047307.db2.gz AWGMGBVBSCMPPY-UHFFFAOYSA-N 1 0 393.560 3.817 40 0 GHABRO CC(C)c1ccc(C[NH+]2CCC([C@]3(c4nccs4)CNC(=O)CO3)CC2)cc1 ZINC000019696661 856423554 /nfs/dbraw/zinc/42/35/54/856423554.db2.gz FLILDELLNXZZAN-QFIPXVFZSA-N 1 0 399.560 3.520 40 0 GHABRO CC[N@@H+]1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3F)s2)CC1 ZINC000019705427 856424400 /nfs/dbraw/zinc/42/44/00/856424400.db2.gz RSLFXRHMSBHJMC-HXUWFJFHSA-N 1 0 378.513 3.906 40 0 GHABRO CC(=O)N[C@@H]1CN(C)C2(C1)CC[NH+](Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC000019704237 856425153 /nfs/dbraw/zinc/42/51/53/856425153.db2.gz ALBBLFQEVLPMSI-QHCPKHFHSA-N 1 0 395.522 3.668 40 0 GHABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cn4cccnc4n3)cc2)C1 ZINC000019711827 856426095 /nfs/dbraw/zinc/42/60/95/856426095.db2.gz ZFTMYWRABLTRFH-QUCCMNQESA-N 1 0 393.491 3.544 40 0 GHABRO Cc1nc(-c2ccc(OCC(=O)N3CCCC[C@@H]4[C@H]3CC[N@H+]4C)cc2)cs1 ZINC000019712347 856426167 /nfs/dbraw/zinc/42/61/67/856426167.db2.gz JZAFCJOJCGTMCP-WOJBJXKFSA-N 1 0 385.533 3.583 40 0 GHABRO COc1cccc([C@@H]2C[N@H+](Cc3ccc(F)cc3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000019712851 856426838 /nfs/dbraw/zinc/42/68/38/856426838.db2.gz HVLUVGRCENVSIG-XJUOHMSHSA-N 1 0 382.479 3.861 40 0 GHABRO O=C1Nc2nc(-c3c(O)cccc3OCC3CC3)cc([C@H]3CCC[NH2+]C3)c2CO1 ZINC000034293614 857819297 /nfs/dbraw/zinc/81/92/97/857819297.db2.gz IGJVFGZEWDGDOO-AWEZNQCLSA-N 1 0 395.459 3.772 40 0 GHABRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002778843 209116585 /nfs/dbraw/zinc/11/65/85/209116585.db2.gz ITJLMXSFRIROFC-WDEREUQCSA-N 1 0 394.869 3.840 40 0 GHABRO CC[NH+](CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12 ZINC000001566133 206386088 /nfs/dbraw/zinc/38/60/88/206386088.db2.gz ZMLZQKCBYPEYMG-UHFFFAOYSA-N 1 0 379.456 3.888 40 0 GHABRO COc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000011716377 206831156 /nfs/dbraw/zinc/83/11/56/206831156.db2.gz MKPPPAOOAPVUGE-SFHVURJKSA-N 1 0 382.504 3.765 40 0 GHABRO COc1ccc(CNC(=O)[C@@H](C)[NH2+]CCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000016695386 207077699 /nfs/dbraw/zinc/07/76/99/207077699.db2.gz DKHVRXDMLXDFDN-QGZVFWFLSA-N 1 0 384.520 3.666 40 0 GHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2Cc1ccccn1 ZINC000019017546 207099840 /nfs/dbraw/zinc/09/98/40/207099840.db2.gz UKWPEIDIAMNZCA-ZRBLBEILSA-N 1 0 381.495 3.980 40 0 GHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1cc(C(C)(C)C)n[nH]1)Cc1ccccc1O2 ZINC000019083700 207103140 /nfs/dbraw/zinc/10/31/40/207103140.db2.gz YYIZSSFFRNVVNM-UHFFFAOYSA-N 1 0 396.535 3.643 40 0 GHABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(C)cn2)c(OC)c1 ZINC000019215712 207107033 /nfs/dbraw/zinc/10/70/33/207107033.db2.gz VORCYJXEDRDUQI-LIMIJEPZSA-N 1 0 382.504 3.527 40 0 GHABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2ccccc2C)on1 ZINC000019237142 207111963 /nfs/dbraw/zinc/11/19/63/207111963.db2.gz LLMOEKWHWLSJFO-FYYLOGMGSA-N 1 0 377.488 3.946 40 0 GHABRO COc1ccc2c(cc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)n2C)c1OC ZINC000019289698 207113892 /nfs/dbraw/zinc/11/38/92/207113892.db2.gz HNUWUIJOIREAMV-KRWDZBQOSA-N 1 0 399.535 3.676 40 0 GHABRO Clc1ccc(CN2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1Cl ZINC000019292969 207115058 /nfs/dbraw/zinc/11/50/58/207115058.db2.gz DVKWKYBJOUVIMM-AWEZNQCLSA-N 1 0 377.319 3.809 40 0 GHABRO C[C@H](CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21)n1cccn1 ZINC000019455384 207123900 /nfs/dbraw/zinc/12/39/00/207123900.db2.gz XGWFVRGJPMAKGB-QEMXTEJRSA-N 1 0 384.499 3.500 40 0 GHABRO CCc1ncc(CN2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019523459 207128991 /nfs/dbraw/zinc/12/89/91/207128991.db2.gz INMPIZVIPZZUOC-UHFFFAOYSA-N 1 0 380.536 3.677 40 0 GHABRO CCCc1cc(C(=O)N(C)C2CCC3(CC2)C[N@H+](C)Cc2ccccc2O3)no1 ZINC000019525263 207129514 /nfs/dbraw/zinc/12/95/14/207129514.db2.gz UADUHKZRENMRPQ-UHFFFAOYSA-N 1 0 397.519 3.905 40 0 GHABRO Cc1nn(C)cc1C(=O)NC1CC[NH+](C[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000019583602 207139549 /nfs/dbraw/zinc/13/95/49/207139549.db2.gz BUBKQVRNYFBXAC-HSZRJFAPSA-N 1 0 394.563 3.897 40 0 GHABRO Cc1c(C(=O)NC2CC[NH+](C[C@H](c3ccccc3)C3CCCC3)CC2)cnn1C ZINC000019553442 207133483 /nfs/dbraw/zinc/13/34/83/207133483.db2.gz FMABBGNGQOGHPE-HSZRJFAPSA-N 1 0 394.563 3.897 40 0 GHABRO Cc1c(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)cnn1C ZINC000019689381 207148486 /nfs/dbraw/zinc/14/84/86/207148486.db2.gz JGOIWRUGZFACPZ-HXUWFJFHSA-N 1 0 376.508 3.589 40 0 GHABRO COCCOc1ccc(C(=O)N2CCC(c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000019593653 207143223 /nfs/dbraw/zinc/14/32/23/207143223.db2.gz DCIJUHJLEUBOAL-UHFFFAOYSA-N 1 0 379.460 3.608 40 0 GHABRO COCc1ccc(OC)c(CN2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)c1 ZINC000019594351 207144132 /nfs/dbraw/zinc/14/41/32/207144132.db2.gz ZASXKCABCPSWED-MQSCRBSSSA-N 1 0 384.495 3.701 40 0 GHABRO Cc1cccn2c(=O)c(C(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)cnc12 ZINC000019714713 207151687 /nfs/dbraw/zinc/15/16/87/207151687.db2.gz LKHYUMFGEFQBIY-QGZVFWFLSA-N 1 0 390.487 3.630 40 0 GHABRO COc1cc2c(cc1-c1cncn1C[C@H](C)[NH+]1CCC(C)CC1)OCCCO2 ZINC000019720015 207155118 /nfs/dbraw/zinc/15/51/18/207155118.db2.gz DNPPTXZXOYVYJP-KRWDZBQOSA-N 1 0 385.508 3.840 40 0 GHABRO CC(C)(CNC(=O)CC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1F ZINC000019748733 207158870 /nfs/dbraw/zinc/15/88/70/207158870.db2.gz LGBAPVZZVHKJNR-UHFFFAOYSA-N 1 0 383.511 3.917 40 0 GHABRO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCCN1CCOCC1 ZINC000022074120 207245910 /nfs/dbraw/zinc/24/59/10/207245910.db2.gz HALUDIQLTGMCLY-UHFFFAOYSA-N 1 0 392.902 3.870 40 0 GHABRO Clc1ccc(COc2ccccc2C[NH2+]CCN2CCOCC2)c(Cl)c1 ZINC000023468428 207278306 /nfs/dbraw/zinc/27/83/06/207278306.db2.gz OWYYUDAHTVPRFT-UHFFFAOYSA-N 1 0 395.330 3.994 40 0 GHABRO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(C)c1Cl ZINC000023586862 207279329 /nfs/dbraw/zinc/27/93/29/207279329.db2.gz QSEVKSZRTJEOGY-LJQANCHMSA-N 1 0 392.902 3.658 40 0 GHABRO CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030939511 207378534 /nfs/dbraw/zinc/37/85/34/207378534.db2.gz BSXSUSHBJOQONP-GOSISDBHSA-N 1 0 397.494 3.816 40 0 GHABRO CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873146 207641050 /nfs/dbraw/zinc/64/10/50/207641050.db2.gz FHAOKRQUYABRAS-FQEVSTJZSA-N 1 0 382.504 3.765 40 0 GHABRO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072353960 208000329 /nfs/dbraw/zinc/00/03/29/208000329.db2.gz GTIUHXZTNKHJRL-OAQYLSRUSA-N 1 0 395.522 3.922 40 0 GHABRO CCn1cc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371659 208006047 /nfs/dbraw/zinc/00/60/47/208006047.db2.gz BPAWNPZKOPEHRN-KRWDZBQOSA-N 1 0 399.926 3.891 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052797 208255525 /nfs/dbraw/zinc/25/55/25/208255525.db2.gz RYBDPVDWMBGRJT-HXUWFJFHSA-N 1 0 394.515 3.550 40 0 GHABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000096061339 208257957 /nfs/dbraw/zinc/25/79/57/208257957.db2.gz DCLHQBFBPFQCIB-HXUWFJFHSA-N 1 0 384.545 3.745 40 0 GHABRO C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000096319723 208307382 /nfs/dbraw/zinc/30/73/82/208307382.db2.gz JCOVILCFVSITPQ-MOXGXCLJSA-N 1 0 398.551 3.583 40 0 GHABRO Clc1cccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)c1 ZINC000096244277 208295669 /nfs/dbraw/zinc/29/56/69/208295669.db2.gz CKABGBKOVFNVTF-QFIPXVFZSA-N 1 0 392.890 3.866 40 0 GHABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000096263343 208297571 /nfs/dbraw/zinc/29/75/71/208297571.db2.gz RVMYBXBPDRGLTP-UHFFFAOYSA-N 1 0 387.531 3.690 40 0 GHABRO C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000096319724 208305991 /nfs/dbraw/zinc/30/59/91/208305991.db2.gz JCOVILCFVSITPQ-ZAAXVRCTSA-N 1 0 398.551 3.583 40 0 GHABRO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)s1 ZINC000306136026 209104523 /nfs/dbraw/zinc/10/45/23/209104523.db2.gz PGWWMKSKCKFEBC-SFTDATJTSA-N 1 0 377.513 3.940 40 0 GHABRO C[C@H](Oc1ccccc1Br)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000027974884 208929080 /nfs/dbraw/zinc/92/90/80/208929080.db2.gz IGEUFKDJQDDACR-LBPRGKRZSA-N 1 0 383.330 3.642 40 0 GHABRO Cc1ncoc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257206384 209055416 /nfs/dbraw/zinc/05/54/16/209055416.db2.gz BDDUEUWJWFPZQT-BPDSMXLESA-N 1 0 379.504 3.730 40 0 GHABRO CCCCc1ncc(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)[nH]1 ZINC000257278942 209067326 /nfs/dbraw/zinc/06/73/26/209067326.db2.gz OEIKAGSCXXJVDR-YPAWHYETSA-N 1 0 380.536 3.589 40 0 GHABRO CN(C)C(=O)c1sc2ncccc2c1C1CC[NH+](Cc2cncs2)CC1 ZINC000257333037 209078294 /nfs/dbraw/zinc/07/82/94/209078294.db2.gz XZVDLZNGNJWKDS-UHFFFAOYSA-N 1 0 386.546 3.834 40 0 GHABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1)N1CCCC1 ZINC000072348783 222234480 /nfs/dbraw/zinc/23/44/80/222234480.db2.gz AKTFYBBWEGZGBN-UHFFFAOYSA-N 1 0 381.495 3.613 40 0 GHABRO O=C(C[NH+]1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1)N1CCCC1 ZINC000072348784 222234781 /nfs/dbraw/zinc/23/47/81/222234781.db2.gz PVWMMGCPYQYVQA-UHFFFAOYSA-N 1 0 381.495 3.613 40 0 GHABRO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@@H+]([C@H](C)Cc3ccccc3F)C1)CC2 ZINC000072395781 222252301 /nfs/dbraw/zinc/25/23/01/222252301.db2.gz OVBSVHJFZZWAJS-WAIKUNEKSA-N 1 0 382.479 3.586 40 0 GHABRO CCN(CC)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1 ZINC000008623539 560209936 /nfs/dbraw/zinc/20/99/36/560209936.db2.gz XIQDOBJBNNAVOU-OALUTQOASA-N 1 0 375.557 3.824 40 0 biogenic,in-vitro GHABRO COC(=O)c1ccc2c(c1)CCN(c1cc(C)[nH+]c(NC3CCCCC3)n1)C2 ZINC000329039596 570214385 /nfs/dbraw/zinc/21/43/85/570214385.db2.gz RXRTZHDZLFRMIP-UHFFFAOYSA-N 1 0 380.492 3.879 40 0 GHABRO Cc1c(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329068572 570216416 /nfs/dbraw/zinc/21/64/16/570216416.db2.gz YQLYXYRMJQXOAT-UHFFFAOYSA-N 1 0 393.457 3.632 40 0 GHABRO Cc1cnc(Nc2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)s1 ZINC000585262545 570230394 /nfs/dbraw/zinc/23/03/94/570230394.db2.gz DVHRVZWTVAUUFQ-UHFFFAOYSA-N 1 0 379.533 3.829 40 0 GHABRO C[C@@]12C[C@H](c3ccccc3)[N@H+](CC3(O)CCCCCC3)[C@@H]1CCC[C@@H](O)[C@H]2O ZINC000585282854 570251024 /nfs/dbraw/zinc/25/10/24/570251024.db2.gz IRPKLAJDSDQYBO-GNJRFXKQSA-N 1 0 387.564 3.799 40 0 GHABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3ccc(Cl)cc3)cc12 ZINC000585284992 570254353 /nfs/dbraw/zinc/25/43/53/570254353.db2.gz MVJVYXAHJAZMMD-QGZVFWFLSA-N 1 0 386.879 3.740 40 0 GHABRO C[NH+]1CCN(c2ccccc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000045865203 570325677 /nfs/dbraw/zinc/32/56/77/570325677.db2.gz XCGYUSZKAPLJAJ-UHFFFAOYSA-N 1 0 381.520 3.753 40 0 GHABRO C[N@@H+]1CCN(C(=O)CCCc2ccccc2)C[C@H](COCc2ccccc2)C1 ZINC000072354529 570339317 /nfs/dbraw/zinc/33/93/17/570339317.db2.gz KGXZTNAXPKEWPA-HSZRJFAPSA-N 1 0 380.532 3.616 40 0 GHABRO [NH3+][C@H](C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000685938861 570397721 /nfs/dbraw/zinc/39/77/21/570397721.db2.gz DOGITAQWGMFSER-BGTYHANMSA-N 1 0 384.442 3.744 40 0 GHABRO COc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000004886133 570415738 /nfs/dbraw/zinc/41/57/38/570415738.db2.gz UNURLJSWFGWHOU-IHWFROFDSA-N 1 0 380.488 3.629 40 0 GHABRO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039772792 570446389 /nfs/dbraw/zinc/44/63/89/570446389.db2.gz ATZZSCMTRIMZLL-UHFFFAOYSA-N 1 0 384.495 3.795 40 0 GHABRO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000039755578 570447929 /nfs/dbraw/zinc/44/79/29/570447929.db2.gz WFMAWUUEYINKHA-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000223211411 570450209 /nfs/dbraw/zinc/45/02/09/570450209.db2.gz IEIBHNQFCJPTHB-JKSUJKDBSA-N 1 0 380.970 3.721 40 0 GHABRO Cc1cc2nc(C3CC[NH+](CC(=O)NCc4ccccc4)CC3)[nH]c2cc1C ZINC000035292233 570461483 /nfs/dbraw/zinc/46/14/83/570461483.db2.gz MQXKGHNXVPQWKS-UHFFFAOYSA-N 1 0 376.504 3.676 40 0 GHABRO Cc1ccc(C)c(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224040448 570495881 /nfs/dbraw/zinc/49/58/81/570495881.db2.gz SQAUYQIRTZIBKW-FQEVSTJZSA-N 1 0 384.495 3.850 40 0 GHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000224678812 570523873 /nfs/dbraw/zinc/52/38/73/570523873.db2.gz FRUANWCVKUTQCZ-UHFFFAOYSA-N 1 0 391.515 3.729 40 0 GHABRO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000008406379 570531151 /nfs/dbraw/zinc/53/11/51/570531151.db2.gz YJCQNDRYNBJZGQ-ZRDIBKRKSA-N 1 0 380.488 3.629 40 0 GHABRO COc1cc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc(OC)c1OC ZINC000009888226 570562204 /nfs/dbraw/zinc/56/22/04/570562204.db2.gz KZSKOIOYVRNLSH-UHFFFAOYSA-N 1 0 398.503 3.628 40 0 GHABRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cc(F)ccc2OC)c(OC)c1 ZINC000036734406 570568782 /nfs/dbraw/zinc/56/87/82/570568782.db2.gz JUKSONIFRMKDHP-OALUTQOASA-N 1 0 375.440 3.722 40 0 GHABRO CC(C)(C)c1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292272 570633253 /nfs/dbraw/zinc/63/32/53/570633253.db2.gz XLFUNISZKVMDKD-FQEVSTJZSA-N 1 0 397.515 3.730 40 0 GHABRO CNc1ncc(C[N@@H+]2[C@@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012326655 570643314 /nfs/dbraw/zinc/64/33/14/570643314.db2.gz RQTPMSGKPLVQOH-YXJHDRRASA-N 1 0 392.425 3.969 40 0 GHABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cccc(OC)c2OC)C3)cc1 ZINC000012361640 570645641 /nfs/dbraw/zinc/64/56/41/570645641.db2.gz INIHHFYWYVMQGQ-VXMMSVGHSA-N 1 0 397.515 3.832 40 0 GHABRO COc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000055012191 570678985 /nfs/dbraw/zinc/67/89/85/570678985.db2.gz SDVQZTHZPOVSJA-MRXNPFEDSA-N 1 0 385.533 3.566 40 0 GHABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000260842852 570710368 /nfs/dbraw/zinc/71/03/68/570710368.db2.gz XYRZQTRYZQZELE-LPHOPBHVSA-N 1 0 398.478 3.686 40 0 GHABRO CC(C)(C)OC(=O)N1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000089212617 570747905 /nfs/dbraw/zinc/74/79/05/570747905.db2.gz VYSFDVBUAJBGAI-UHFFFAOYSA-N 1 0 383.330 3.981 40 0 GHABRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C2)c(C)c1C ZINC000257239567 570768006 /nfs/dbraw/zinc/76/80/06/570768006.db2.gz HPWWFUUTAKZULJ-SFHVURJKSA-N 1 0 391.519 3.977 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1c(F)cccc1Cl ZINC000010544240 570792542 /nfs/dbraw/zinc/79/25/42/570792542.db2.gz IZVBBSIIBSMXNL-CQSZACIVSA-N 1 0 376.925 3.553 40 0 GHABRO Cc1cc(C[N@H+]2CCC[C@@]3(CCCN3C(=O)c3cc(C(C)C)on3)CC2)n(C)n1 ZINC000585100840 570928622 /nfs/dbraw/zinc/92/86/22/570928622.db2.gz YNRAXWUTJKMHAK-JOCHJYFZSA-N 1 0 399.539 3.501 40 0 GHABRO Cc1csc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)n1 ZINC000585103841 570929707 /nfs/dbraw/zinc/92/97/07/570929707.db2.gz DDZIJBCEKUZEAC-IBGZPJMESA-N 1 0 387.549 3.825 40 0 GHABRO O=C(c1ccccc1Br)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238907195 570981485 /nfs/dbraw/zinc/98/14/85/570981485.db2.gz RXTIGKLAJXZYQR-QGZVFWFLSA-N 1 0 385.305 3.722 40 0 GHABRO CN(C)C(=O)c1cnc(C2(C)CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)s1 ZINC000585182563 571000183 /nfs/dbraw/zinc/00/01/83/571000183.db2.gz RVURDCQWOWLYGX-UHFFFAOYSA-N 1 0 382.533 3.880 40 0 GHABRO CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000006349361 856379883 /nfs/dbraw/zinc/37/98/83/856379883.db2.gz GGGNQLHLDBNBBC-UHFFFAOYSA-N 1 0 396.560 3.689 40 0 GHABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000009062841 856410078 /nfs/dbraw/zinc/41/00/78/856410078.db2.gz DLULNABNBNIYDM-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO Cc1ncc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)s1 ZINC000019702524 856424555 /nfs/dbraw/zinc/42/45/55/856424555.db2.gz IPGBTDKNVGGISG-ZDUSSCGKSA-N 1 0 386.546 3.753 40 0 GHABRO CC[N@@H+]1CCC[C@@](O)(c2nc(C)c(CCOc3ccc(F)cc3)s2)CC1 ZINC000019705454 856424911 /nfs/dbraw/zinc/42/49/11/856424911.db2.gz QMRNKDYWPKQTBP-FQEVSTJZSA-N 1 0 378.513 3.906 40 0 GHABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000019712523 856425748 /nfs/dbraw/zinc/42/57/48/856425748.db2.gz MKFQASKWZOBVLM-DHIUTWEWSA-N 1 0 379.504 3.636 40 0 GHABRO COc1ccc(OC)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)c1 ZINC000019712604 856425916 /nfs/dbraw/zinc/42/59/16/856425916.db2.gz BJTFJBCVBGOHEB-IMSXRSKXSA-N 1 0 394.515 3.731 40 0 GHABRO CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3ccccn3)CC2)C1 ZINC000019712750 856426909 /nfs/dbraw/zinc/42/69/09/856426909.db2.gz YVJHVKVIIHSTCG-FPOVZHCZSA-N 1 0 379.504 3.586 40 0 GHABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(CN(C(=O)c3ccsc3)c3cccnc32)C1 ZINC000306143682 209109111 /nfs/dbraw/zinc/10/91/11/209109111.db2.gz YIXWWTMAWZEQFT-FQEVSTJZSA-N 1 0 396.541 3.712 40 0 GHABRO Fc1ccccc1-c1ccc2nnc(C3CC[NH+](Cc4ccco4)CC3)n2n1 ZINC000306142457 209107648 /nfs/dbraw/zinc/10/76/48/209107648.db2.gz WZPCAGSEXIMOAQ-UHFFFAOYSA-N 1 0 377.423 3.903 40 0 GHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)n1 ZINC000329071897 206243514 /nfs/dbraw/zinc/24/35/14/206243514.db2.gz ZTJVHPQFKHZDNB-UHFFFAOYSA-N 1 0 393.335 3.653 40 0 GHABRO CN1CC2(CC[NH+](Cc3ccsc3)CC2)c2nn(-c3ccccc3)cc2C1=O ZINC000306140718 209105907 /nfs/dbraw/zinc/10/59/07/209105907.db2.gz VBWLGAADGDMMNM-UHFFFAOYSA-N 1 0 392.528 3.553 40 0 GHABRO Cc1cc2cc(C(=O)N3CCC(c4ncc5c(n4)CC[N@@H+](C)C5)CC3)ccc2o1 ZINC000019126352 207104352 /nfs/dbraw/zinc/10/43/52/207104352.db2.gz HURQHUKAMPDFIG-UHFFFAOYSA-N 1 0 390.487 3.539 40 0 GHABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc(N3CCOCC3)nc2)nc1 ZINC000019215506 207107095 /nfs/dbraw/zinc/10/70/95/207107095.db2.gz CWCSNHSJGPKIJB-OAQYLSRUSA-N 1 0 394.544 3.757 40 0 GHABRO COc1ccc(C[NH2+][C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1 ZINC000019285342 207112164 /nfs/dbraw/zinc/11/21/64/207112164.db2.gz PHNUZUYDHUMHEK-FQEVSTJZSA-N 1 0 383.879 3.814 40 0 GHABRO O=C(c1cc(C2CCCCC2)no1)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292187 207114323 /nfs/dbraw/zinc/11/43/23/207114323.db2.gz ZVBCBYAQHALFHB-IBGZPJMESA-N 1 0 395.507 3.525 40 0 GHABRO O=c1cc(-c2nccs2)nc(C2CC[NH+](Cc3ccccc3Cl)CC2)[nH]1 ZINC000019348913 207118038 /nfs/dbraw/zinc/11/80/38/207118038.db2.gz OMULWLZTYSTRBX-UHFFFAOYSA-N 1 0 386.908 3.926 40 0 GHABRO O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCCCC1 ZINC000019365930 207118382 /nfs/dbraw/zinc/11/83/82/207118382.db2.gz XQNGBFJNJXVYJR-PKTZIBPZSA-N 1 0 378.516 3.797 40 0 GHABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000019369044 207118871 /nfs/dbraw/zinc/11/88/71/207118871.db2.gz OMUYDJZYUGVSLD-PMACEKPBSA-N 1 0 392.528 3.921 40 0 GHABRO O=C(c1ccccc1-c1ccccc1)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019374239 207120264 /nfs/dbraw/zinc/12/02/64/207120264.db2.gz APAQWAVISYJGMC-IBGZPJMESA-N 1 0 398.510 3.809 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019374901 207120396 /nfs/dbraw/zinc/12/03/96/207120396.db2.gz QUDNUGSXUNYYOT-LEWJYISDSA-N 1 0 396.462 3.691 40 0 GHABRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(Cn3ccnc3)o2)c2ccccc2)CC1 ZINC000019496809 207124593 /nfs/dbraw/zinc/12/45/93/207124593.db2.gz USVYRBPMRIWRHL-OAQYLSRUSA-N 1 0 392.503 3.727 40 0 GHABRO CC(C)Oc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019450652 207121430 /nfs/dbraw/zinc/12/14/30/207121430.db2.gz VDTIVCSCWFHBPE-QFIPXVFZSA-N 1 0 380.536 3.979 40 0 GHABRO C[C@H]1C[C@H](C)C[NH+](Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C1 ZINC000019462580 207123106 /nfs/dbraw/zinc/12/31/06/207123106.db2.gz DFWHBCZURRWXHU-KBPBESRZSA-N 1 0 396.457 3.573 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3noc(-c4cnccn4)n3)C2)c(C)c1C ZINC000019577370 207138069 /nfs/dbraw/zinc/13/80/69/207138069.db2.gz CSITZRKBZZTMEO-KRWDZBQOSA-N 1 0 379.464 3.532 40 0 GHABRO Cc1ncc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@H+]3C)c(C)n1 ZINC000019552485 207132073 /nfs/dbraw/zinc/13/20/73/207132073.db2.gz IEWXTJKPXXBIKG-CEMLEFRQSA-N 1 0 378.520 3.576 40 0 GHABRO Cc1nc2cc(C3CCOCC3)nn2c(NCC2([NH+](C)C)CCCCC2)c1C ZINC000019555724 207132263 /nfs/dbraw/zinc/13/22/63/207132263.db2.gz HSSISWICCWFUIE-UHFFFAOYSA-N 1 0 385.556 3.917 40 0 GHABRO CN(C(=O)c1cc(C2CC2)on1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590883 207141032 /nfs/dbraw/zinc/14/10/32/207141032.db2.gz CYDXFEDFSYVBJE-UHFFFAOYSA-N 1 0 395.503 3.830 40 0 GHABRO C/C(=C\c1ccccc1)C[NH+]1CCC(c2nc(C)c3c(n2)N(C)C(=O)CC3)CC1 ZINC000019739496 207156680 /nfs/dbraw/zinc/15/66/80/207156680.db2.gz QWDOGJCFCBUWEV-BMRADRMJSA-N 1 0 390.531 3.977 40 0 GHABRO c1ccc(COc2ccc3ccccc3c2C[NH2+]CCN2CCOCC2)cc1 ZINC000023468980 207277873 /nfs/dbraw/zinc/27/78/73/207277873.db2.gz HCWBLYLLHPQNJB-UHFFFAOYSA-N 1 0 376.500 3.841 40 0 GHABRO CC(=O)Nc1ccc(Oc2cncc(C3CC[NH+](C4CCOCC4)CC3)n2)cc1 ZINC000072362868 208004623 /nfs/dbraw/zinc/00/46/23/208004623.db2.gz XXJLYUSJJOURKA-UHFFFAOYSA-N 1 0 396.491 3.586 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3nccnc3Oc3ccc(C)cc3)C2)CC1 ZINC000072363021 208006551 /nfs/dbraw/zinc/00/65/51/208006551.db2.gz GBAWDYWPHGJTRK-LJQANCHMSA-N 1 0 394.519 3.768 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21)NC1CC1 ZINC000096052991 208259256 /nfs/dbraw/zinc/25/92/56/208259256.db2.gz QMRZLXYTVVGWCW-LJQANCHMSA-N 1 0 375.516 3.771 40 0 GHABRO O=C(N[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1ccncc1 ZINC000096079845 208261964 /nfs/dbraw/zinc/26/19/64/208261964.db2.gz BTNADECEIFQYQT-FQEVSTJZSA-N 1 0 377.488 3.580 40 0 GHABRO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NC[C@@H](C)c4ccccc4)=NO3)C2)cc1 ZINC000096225723 208287927 /nfs/dbraw/zinc/28/79/27/208287927.db2.gz XHPZHGNKPXTLLQ-NTKDMRAZSA-N 1 0 391.515 3.636 40 0 GHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)[C@@H](C)c3ccccc3)n(C)n2)CC1 ZINC000100687698 208379291 /nfs/dbraw/zinc/37/92/91/208379291.db2.gz ZRPGULSCSIITAH-CMKODMSKSA-N 1 0 382.552 3.675 40 0 GHABRO CC[NH+](CC)CC(C)(C)CN[C@H](C)c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1 ZINC000100217944 208373964 /nfs/dbraw/zinc/37/39/64/208373964.db2.gz FBVVUPWHNBHARJ-OAHLLOKOSA-N 1 0 375.561 3.751 40 0 GHABRO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 ZINC000306138317 209104185 /nfs/dbraw/zinc/10/41/85/209104185.db2.gz RUTOLGOODDLMPX-XZOQPEGZSA-N 1 0 386.499 3.527 40 0 GHABRO COc1ncccc1C[N@@H+]1CC[C@]2(CN(Cc3ccccc3)c3cccnc32)C1 ZINC000306135814 209103512 /nfs/dbraw/zinc/10/35/12/209103512.db2.gz PBUIMRCZGKDCMS-XMMPIXPASA-N 1 0 386.499 3.649 40 0 GHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306129168 209099062 /nfs/dbraw/zinc/09/90/62/209099062.db2.gz HWGPXEURTVRUQT-FCHUYYIVSA-N 1 0 393.437 3.848 40 0 GHABRO CC1CC[NH+](CCOc2ccc(NC(=O)C(C)(C)Br)cc2)CC1 ZINC000225594392 208961757 /nfs/dbraw/zinc/96/17/57/208961757.db2.gz NDMARBQMBBILCJ-UHFFFAOYSA-N 1 0 383.330 3.909 40 0 GHABRO COc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2CCCCC3)cc1 ZINC000027788737 209001822 /nfs/dbraw/zinc/00/18/22/209001822.db2.gz BRPFIIDFEPIFFR-UHFFFAOYSA-N 1 0 377.464 3.938 40 0 GHABRO CCOc1ccccc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)[nH]n1 ZINC000257262095 209061679 /nfs/dbraw/zinc/06/16/79/209061679.db2.gz LKACYHIPOFIKRI-XFXDKIQJSA-N 1 0 394.519 3.563 40 0 GHABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccn1 ZINC000257279495 209065582 /nfs/dbraw/zinc/06/55/82/209065582.db2.gz OGXBUTHLEFYYDZ-FPFQSLQCSA-N 1 0 390.531 3.565 40 0 GHABRO C[C@@H](CC[N@@H+]1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1)c1ccccc1 ZINC000072389557 136169271 /nfs/dbraw/zinc/16/92/71/136169271.db2.gz YWQDDJSFYAVFQZ-SFHVURJKSA-N 1 0 380.536 3.558 40 0 GHABRO Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000113969222 136192160 /nfs/dbraw/zinc/19/21/60/136192160.db2.gz VDBAAOPNGNKOHL-INIZCTEOSA-N 1 0 387.911 3.806 40 0 GHABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4ncc[nH]4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257310191 209073328 /nfs/dbraw/zinc/07/33/28/209073328.db2.gz UEBSKROYDGNIAL-GHTZIAJQSA-N 1 0 397.519 3.949 40 0 GHABRO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039757649 527727241 /nfs/dbraw/zinc/72/72/41/527727241.db2.gz DGIYWGANGVBTIJ-UHFFFAOYSA-N 1 0 397.494 3.815 40 0 GHABRO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000035424974 560080923 /nfs/dbraw/zinc/08/09/23/560080923.db2.gz XMYUEKUXJKDTFS-SFHVURJKSA-N 1 0 386.496 3.874 40 0 biogenic,in-vitro GHABRO Cn1nc(C2CCCCC2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 ZINC000012602041 565102143 /nfs/dbraw/zinc/10/21/43/565102143.db2.gz FEAOPPNSZKBCFS-OTWHNJEPSA-N 1 0 396.535 3.669 40 0 biogenic,in-vitro GHABRO Cc1cnc(Nc2cccc(CC3CC[NH+](Cc4cncn4C)CC3)n2)s1 ZINC000585262611 570230998 /nfs/dbraw/zinc/23/09/98/570230998.db2.gz IEWULEUAJIXJOZ-UHFFFAOYSA-N 1 0 382.537 3.778 40 0 GHABRO CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2F)[C@@H]1Cc1ccc(F)cc1 ZINC000585286939 570255941 /nfs/dbraw/zinc/25/59/41/570255941.db2.gz YHNKWMLFDBJJPE-PMACEKPBSA-N 1 0 376.422 3.816 40 0 GHABRO C[C@H](O)C[NH2+]CCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022075071 570321172 /nfs/dbraw/zinc/32/11/72/570321172.db2.gz NUXWDIPHPMNJIV-AWEZNQCLSA-N 1 0 383.319 3.632 40 0 GHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000219406834 570359267 /nfs/dbraw/zinc/35/92/67/570359267.db2.gz ZMBHCKXZRXBOPB-UHFFFAOYSA-N 1 0 390.487 3.573 40 0 GHABRO COc1ccc2cc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)ccc2c1 ZINC000022931439 570379413 /nfs/dbraw/zinc/37/94/13/570379413.db2.gz ATOINYQOKUMRET-UHFFFAOYSA-N 1 0 391.515 3.578 40 0 GHABRO Cc1noc(C)c1COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2)cc1 ZINC000257284666 570489056 /nfs/dbraw/zinc/48/90/56/570489056.db2.gz PDSMXPYNYHSFFN-FQEVSTJZSA-N 1 0 396.487 3.742 40 0 GHABRO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000007498856 570506227 /nfs/dbraw/zinc/50/62/27/570506227.db2.gz OVUBTULZZRXHED-UHFFFAOYSA-N 1 0 397.906 3.538 40 0 GHABRO O=S(=O)(Cc1ccccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224615332 570520341 /nfs/dbraw/zinc/52/03/41/570520341.db2.gz PYLDGMHTWYPBAF-UHFFFAOYSA-N 1 0 378.925 3.555 40 0 GHABRO CC[C@H](Oc1ccccc1OC)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224626874 570521177 /nfs/dbraw/zinc/52/11/77/570521177.db2.gz WAQOKKJADPTRTQ-FQEVSTJZSA-N 1 0 382.504 3.765 40 0 GHABRO COc1ccccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685251 570524393 /nfs/dbraw/zinc/52/43/93/570524393.db2.gz PWWXOZDWMBWRIC-GOSISDBHSA-N 1 0 382.504 3.765 40 0 GHABRO Cc1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1F ZINC000224704847 570525966 /nfs/dbraw/zinc/52/59/66/570525966.db2.gz GIFWGNDIWZDRNQ-UHFFFAOYSA-N 1 0 376.497 3.599 40 0 GHABRO CCSc1nnc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC000224838380 570533115 /nfs/dbraw/zinc/53/31/15/570533115.db2.gz IRPBNDAHFCIEQK-UHFFFAOYSA-N 1 0 376.551 3.809 40 0 GHABRO COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000008535048 570533258 /nfs/dbraw/zinc/53/32/58/570533258.db2.gz AONOAGZFRXAGIU-CYBMUJFWSA-N 1 0 380.282 3.507 40 0 GHABRO O=C(CSCc1ccccc1Br)NCCC[NH+]1CCCCC1 ZINC000010276992 570567521 /nfs/dbraw/zinc/56/75/21/570567521.db2.gz YJTBHNUFHSOUAZ-UHFFFAOYSA-N 1 0 385.371 3.675 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000225729960 570610158 /nfs/dbraw/zinc/61/01/58/570610158.db2.gz GKZUZUIVAXKDKV-HOTGVXAUSA-N 1 0 391.581 3.826 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225729867 570610250 /nfs/dbraw/zinc/61/02/50/570610250.db2.gz PHDVJYUWFBRXRD-HOTGVXAUSA-N 1 0 377.554 3.518 40 0 GHABRO COc1ccc(C(C)(C)C)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000012116985 570611573 /nfs/dbraw/zinc/61/15/73/570611573.db2.gz MNXOUJBJJDGSTN-LIMIJEPZSA-N 1 0 383.536 3.741 40 0 GHABRO COC(=O)c1ccc(C)c(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225743062 570611911 /nfs/dbraw/zinc/61/19/11/570611911.db2.gz QGJVTGWSBDQCRM-UHFFFAOYSA-N 1 0 397.544 3.516 40 0 GHABRO CCOc1cc2c(cc1C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@H](C)O)CCC2 ZINC000012185866 570620497 /nfs/dbraw/zinc/62/04/97/570620497.db2.gz YRDZHTPYZYPQOQ-INIZCTEOSA-N 1 0 383.488 3.686 40 0 GHABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@](O)(c3ccc(F)cc3)CC1)CO2 ZINC000012251863 570631143 /nfs/dbraw/zinc/63/11/43/570631143.db2.gz ULUWDLHCBOMXDH-QHCPKHFHSA-N 1 0 383.463 3.984 40 0 GHABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291591 570633284 /nfs/dbraw/zinc/63/32/84/570633284.db2.gz BRNNJBRJPJHROI-SFHVURJKSA-N 1 0 384.442 3.684 40 0 GHABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291405 570633289 /nfs/dbraw/zinc/63/32/89/570633289.db2.gz ZNVKCMPXMLPQBR-LJQANCHMSA-N 1 0 398.469 3.930 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 ZINC000012292719 570633856 /nfs/dbraw/zinc/63/38/56/570633856.db2.gz PCXVPJDVCBCGEO-MOPGFXCFSA-N 1 0 391.870 3.863 40 0 GHABRO COc1cccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044906845 570641712 /nfs/dbraw/zinc/64/17/12/570641712.db2.gz LMJKEEQFSOORRJ-HXUWFJFHSA-N 1 0 384.495 3.795 40 0 GHABRO CN(CCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000044916802 570642888 /nfs/dbraw/zinc/64/28/88/570642888.db2.gz LDLNEAPWMXJUAC-UHFFFAOYSA-N 1 0 385.939 3.805 40 0 GHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000012362806 570646291 /nfs/dbraw/zinc/64/62/91/570646291.db2.gz WTSGQAZJDITBDD-QGZVFWFLSA-N 1 0 387.549 3.660 40 0 GHABRO C[NH+]1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000007105691 570757017 /nfs/dbraw/zinc/75/70/17/570757017.db2.gz YDNCUVVAXDCFKK-UHFFFAOYSA-N 1 0 394.302 3.763 40 0 GHABRO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccncc1 ZINC000007274794 570757820 /nfs/dbraw/zinc/75/78/20/570757820.db2.gz FYHDNWWRGRKEBF-UHFFFAOYSA-N 1 0 386.087 3.905 40 0 GHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3cccs3)o2)c1 ZINC000007540597 570760439 /nfs/dbraw/zinc/76/04/39/570760439.db2.gz ASQPTYRJVYMAAT-UHFFFAOYSA-N 1 0 385.441 3.871 40 0 GHABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O ZINC000008253742 570765915 /nfs/dbraw/zinc/76/59/15/570765915.db2.gz ASFHWOKJKZIVCF-UHFFFAOYSA-N 1 0 392.927 3.661 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[NH2+]CC2=CCCOC2)CC1 ZINC000257276723 570900748 /nfs/dbraw/zinc/90/07/48/570900748.db2.gz NUWIPJZIJRKMST-KOMQPUFPSA-N 1 0 385.533 3.605 40 0 GHABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)s1 ZINC000585104589 570933518 /nfs/dbraw/zinc/93/35/18/570933518.db2.gz QUZBAIWXQTXYRT-MAUKXSAKSA-N 1 0 391.581 3.503 40 0 GHABRO C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585104570 570933740 /nfs/dbraw/zinc/93/37/40/570933740.db2.gz QPIQQQQCQBSKIA-FDDCHVKYSA-N 1 0 382.479 3.638 40 0 GHABRO O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000585109751 570938113 /nfs/dbraw/zinc/93/81/13/570938113.db2.gz OXDJDKVJJRUDFV-SONWIMMPSA-N 1 0 390.527 3.890 40 0 GHABRO CN(CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044916666 856442840 /nfs/dbraw/zinc/44/28/40/856442840.db2.gz NJKBRRYXZNFFGG-IBGZPJMESA-N 1 0 385.939 3.805 40 0 GHABRO CC1CC[NH+](C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000004935725 860434146 /nfs/dbraw/zinc/43/41/46/860434146.db2.gz FDPIKVUMSWAMQG-UHFFFAOYSA-N 1 0 390.471 3.590 40 0 GHABRO Cc1nc(-c2cccs2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 ZINC000015672542 919381258 /nfs/dbraw/zinc/38/12/58/919381258.db2.gz DUXYNPFEQGTSFF-BBWFWOEESA-N 1 0 398.576 3.854 40 0 biogenic,in-vitro GHABRO CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](c1ccnc3ccccc31)[NH2+]2 ZINC000306145421 209108710 /nfs/dbraw/zinc/10/87/10/209108710.db2.gz DZPNVVOQKSONNP-IBGZPJMESA-N 1 0 383.492 3.665 40 0 GHABRO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329033280 206242765 /nfs/dbraw/zinc/24/27/65/206242765.db2.gz QSYXTONFDCDZKP-UHFFFAOYSA-N 1 0 387.325 3.921 40 0 GHABRO C[NH+](C)CCOc1ccc(I)cc1Cc1ccccc1 ZINC000001718668 206389561 /nfs/dbraw/zinc/38/95/61/206389561.db2.gz JALWTJALKALLHX-UHFFFAOYSA-N 1 0 381.257 3.822 40 0 GHABRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285514 207111553 /nfs/dbraw/zinc/11/15/53/207111553.db2.gz YNHSEZBJUIOBNL-VQTJNVASSA-N 1 0 393.462 3.609 40 0 GHABRO Cn1nc(C2CC2)cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019288845 207113964 /nfs/dbraw/zinc/11/39/64/207113964.db2.gz ZUOLYRZAYXTENM-DWLFOUALSA-N 1 0 396.510 3.577 40 0 GHABRO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1 ZINC000019293832 207114925 /nfs/dbraw/zinc/11/49/25/207114925.db2.gz AOCPTEOGXJPQQM-GOSISDBHSA-N 1 0 394.450 3.518 40 0 GHABRO CC(C)c1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019454056 207123828 /nfs/dbraw/zinc/12/38/28/207123828.db2.gz LRGAVFMOTZRCKH-MRXNPFEDSA-N 1 0 395.532 3.791 40 0 GHABRO Cc1nc(C)c(C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)s1 ZINC000019559949 207134514 /nfs/dbraw/zinc/13/45/14/207134514.db2.gz MHSWJWXUDXQYSO-UHFFFAOYSA-N 1 0 385.533 3.696 40 0 GHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 ZINC000019687416 207147954 /nfs/dbraw/zinc/14/79/54/207147954.db2.gz FEGAFFZVPBMJJT-HXUWFJFHSA-N 1 0 394.498 3.728 40 0 GHABRO Cc1c(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cnn1C ZINC000019687406 207149261 /nfs/dbraw/zinc/14/92/61/207149261.db2.gz MIYIBCJQQWGUQS-FQEVSTJZSA-N 1 0 394.498 3.728 40 0 GHABRO COc1ccccc1/C=C/CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019590308 207140733 /nfs/dbraw/zinc/14/07/33/207140733.db2.gz DOSUACGESOKBGZ-WFNSPDMASA-N 1 0 378.520 3.714 40 0 GHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1cccc(OC)c1)Cc1ccccc1O2 ZINC000019591980 207142582 /nfs/dbraw/zinc/14/25/82/207142582.db2.gz KXJBBDXUKKCTFF-UHFFFAOYSA-N 1 0 380.488 3.631 40 0 GHABRO O=C(C[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 ZINC000072359393 208002962 /nfs/dbraw/zinc/00/29/62/208002962.db2.gz NJPXAUUAJCYCNH-KRWDZBQOSA-N 1 0 384.911 3.599 40 0 GHABRO O=C(C[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1)N1CCCC1 ZINC000072359391 208003476 /nfs/dbraw/zinc/00/34/76/208003476.db2.gz ZINSVYQTIIODSG-UHFFFAOYSA-N 1 0 384.911 3.599 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072359850 208004138 /nfs/dbraw/zinc/00/41/38/208004138.db2.gz SDBBHQBOYXIBCW-SFHVURJKSA-N 1 0 398.938 3.845 40 0 GHABRO COc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3cnc(C)s3)C2)[nH]n1 ZINC000072371789 208006683 /nfs/dbraw/zinc/00/66/83/208006683.db2.gz GAEKYOULSAINES-INIZCTEOSA-N 1 0 398.532 3.794 40 0 GHABRO O=S(=O)(N[C@@H]1CCC12CC[NH+](Cc1ccc(F)cc1)CC2)c1ccccc1 ZINC000096051632 208256055 /nfs/dbraw/zinc/25/60/55/208256055.db2.gz AAHDCUJLLFJGGC-HXUWFJFHSA-N 1 0 388.508 3.549 40 0 GHABRO CCc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306138314 209103315 /nfs/dbraw/zinc/10/33/15/209103315.db2.gz RUTOLGOODDLMPX-DHIUTWEWSA-N 1 0 386.499 3.527 40 0 GHABRO COc1ccc(CN2Cc3c(nc(C)n3CC3CC3)C3(CC[NH+](C)CC3)C2)cc1 ZINC000306133563 209101860 /nfs/dbraw/zinc/10/18/60/209101860.db2.gz MPOIWBCAWMWEIN-UHFFFAOYSA-N 1 0 394.563 3.589 40 0 GHABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306128913 209098591 /nfs/dbraw/zinc/09/85/91/209098591.db2.gz HOGDWFJITCZMBD-SFHVURJKSA-N 1 0 390.516 3.936 40 0 GHABRO CN1CC[N@H+](Cc2ccccc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306125548 209098184 /nfs/dbraw/zinc/09/81/84/209098184.db2.gz CTSRRCHJYYKUPC-OAQYLSRUSA-N 1 0 389.528 3.947 40 0 GHABRO c1cc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cs1 ZINC000306127389 209096943 /nfs/dbraw/zinc/09/69/43/209096943.db2.gz FXKGHKUYFMOZKV-NRFANRHFSA-N 1 0 395.484 3.515 40 0 GHABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000040373289 209093460 /nfs/dbraw/zinc/09/34/60/209093460.db2.gz LJAHHMHLAXCJFC-HXUWFJFHSA-N 1 0 393.568 3.580 40 0 GHABRO Cc1cc(O[C@@H]2C[C@@H]([NH3+])[C@H](N(C)CCc3ccccc3)[C@H]2O)cc(C(C)C)c1 ZINC000257291645 209068344 /nfs/dbraw/zinc/06/83/44/209068344.db2.gz QHYIOGBAJCMDPR-LWSSLDFYSA-N 1 0 382.548 3.501 40 0 GHABRO Cn1cc(C[NH+]2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cn1 ZINC000257295996 209070764 /nfs/dbraw/zinc/07/07/64/209070764.db2.gz RAUARHFYNYWFBS-AZUAARDMSA-N 1 0 387.911 3.968 40 0 GHABRO COc1cccc(Nc2cc(C)nc([C@H]3CC[N@H+](Cc4cnn(C)c4)C3)c2)c1 ZINC000257333730 209078755 /nfs/dbraw/zinc/07/87/55/209078755.db2.gz YCVCOCHUVXVDDL-SFHVURJKSA-N 1 0 377.492 3.865 40 0 GHABRO C[NH+](C)CCCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)n1 ZINC000329019890 570213051 /nfs/dbraw/zinc/21/30/51/570213051.db2.gz NYVCKXIVAGROIE-UHFFFAOYSA-N 1 0 395.938 3.617 40 0 GHABRO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000585262526 570230407 /nfs/dbraw/zinc/23/04/07/570230407.db2.gz KRCQHOZYFUJNJQ-OAQYLSRUSA-N 1 0 384.520 3.803 40 0 GHABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](CCc2ccccc2)C1 ZINC000585262554 570231004 /nfs/dbraw/zinc/23/10/04/570231004.db2.gz SLDPIOOKMSRBQD-XMMPIXPASA-N 1 0 389.499 3.565 40 0 GHABRO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)NC[C@H](C)c4ccccc4)=NO3)C2)cc1 ZINC000107231600 570308696 /nfs/dbraw/zinc/30/86/96/570308696.db2.gz XHPZHGNKPXTLLQ-CYFREDJKSA-N 1 0 391.515 3.636 40 0 GHABRO CN(CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000219426820 570360179 /nfs/dbraw/zinc/36/01/79/570360179.db2.gz DBRCGTNYUNPLBQ-UHFFFAOYSA-N 1 0 383.511 3.680 40 0 GHABRO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004320413 570367527 /nfs/dbraw/zinc/36/75/27/570367527.db2.gz CTSCDVGXOUUSJP-QFIPXVFZSA-N 1 0 381.516 3.974 40 0 GHABRO Cc1ccccc1N1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000025227051 570408522 /nfs/dbraw/zinc/40/85/22/570408522.db2.gz VSTKDCGAQXBUQL-NRFANRHFSA-N 1 0 376.500 3.710 40 0 GHABRO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000223170057 570448148 /nfs/dbraw/zinc/44/81/48/570448148.db2.gz WBSRBPXALCQWBZ-UHFFFAOYSA-N 1 0 380.514 3.640 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223289234 570456351 /nfs/dbraw/zinc/45/63/51/570456351.db2.gz FMBLUBSTGDJFPA-RTWAWAEBSA-N 1 0 397.592 3.922 40 0 GHABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)c1c(F)cccc1F ZINC000035316098 570469951 /nfs/dbraw/zinc/46/99/51/570469951.db2.gz PZWZXRFSQQSLFY-UHFFFAOYSA-N 1 0 384.477 3.647 40 0 GHABRO O=C(CCc1ccccc1)Nc1nnc(SCC[NH+]2CCCCC2)s1 ZINC000035316083 570470042 /nfs/dbraw/zinc/47/00/42/570470042.db2.gz AGQLXORMXVUPEH-UHFFFAOYSA-N 1 0 376.551 3.687 40 0 GHABRO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524734 570507234 /nfs/dbraw/zinc/50/72/34/570507234.db2.gz DGVLFSFLGUSJAY-UHFFFAOYSA-N 1 0 384.292 3.659 40 0 GHABRO O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224615462 570520518 /nfs/dbraw/zinc/52/05/18/570520518.db2.gz WXBQKSOGQKXTCV-UHFFFAOYSA-N 1 0 378.925 3.555 40 0 GHABRO COc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685205 570524284 /nfs/dbraw/zinc/52/42/84/570524284.db2.gz PWWXOZDWMBWRIC-SFHVURJKSA-N 1 0 382.504 3.765 40 0 GHABRO COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1F ZINC000008535050 570533251 /nfs/dbraw/zinc/53/32/51/570533251.db2.gz NIHDAKLZNZBEIH-GFCCVEGCSA-N 1 0 398.272 3.646 40 0 GHABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@@H]1c1ccc(OC)cc1)CCCC3 ZINC000035079584 570549197 /nfs/dbraw/zinc/54/91/97/570549197.db2.gz ZNRGREFWBCWZAU-LJQANCHMSA-N 1 0 393.487 3.946 40 0 GHABRO O=C(NC[C@H]1COc2ccccc2O1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000225272667 570561184 /nfs/dbraw/zinc/56/11/84/570561184.db2.gz XRVQRFPJWQRCPP-FQEVSTJZSA-N 1 0 380.488 3.632 40 0 GHABRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000010544057 570571667 /nfs/dbraw/zinc/57/16/67/570571667.db2.gz NVIOCQOGJZGUAS-STQMWFEESA-N 1 0 379.353 3.640 40 0 GHABRO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225729561 570609573 /nfs/dbraw/zinc/60/95/73/570609573.db2.gz XOSYTDSOOFBESQ-ZIAGYGMSSA-N 1 0 397.972 3.781 40 0 GHABRO OC1(c2ccccc2F)CC[NH+](Cc2ccccc2OC[C@@H]2CCCO2)CC1 ZINC000012240586 570630056 /nfs/dbraw/zinc/63/00/56/570630056.db2.gz XVYMLDMQOYYEPG-IBGZPJMESA-N 1 0 385.479 3.867 40 0 GHABRO COc1cccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012292532 570633304 /nfs/dbraw/zinc/63/33/04/570633304.db2.gz IVUVIKNCDVJGHX-IBGZPJMESA-N 1 0 395.421 3.731 40 0 GHABRO COC(=O)Cn1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c2ccccc21 ZINC000012292769 570633900 /nfs/dbraw/zinc/63/39/00/570633900.db2.gz REWUZBZNWJLSLL-UHFFFAOYSA-N 1 0 392.499 3.606 40 0 GHABRO O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874800 570637646 /nfs/dbraw/zinc/63/76/46/570637646.db2.gz VRQTXDKWSITLDW-UHFFFAOYSA-N 1 0 392.952 3.946 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 ZINC000012330144 570644541 /nfs/dbraw/zinc/64/45/41/570644541.db2.gz PLUDDOXJYPWKRH-FGZHOGPDSA-N 1 0 379.500 3.559 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330243 570644552 /nfs/dbraw/zinc/64/45/52/570644552.db2.gz OXSDXEJQZORRNL-XZOQPEGZSA-N 1 0 393.527 3.950 40 0 GHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000012362853 570646242 /nfs/dbraw/zinc/64/62/42/570646242.db2.gz JOYCFDVCFQLQGW-AWEZNQCLSA-N 1 0 376.501 3.559 40 0 GHABRO CN1CCN(C(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000006734501 570750514 /nfs/dbraw/zinc/75/05/14/570750514.db2.gz PEYRVLMAZCMCQX-UHFFFAOYSA-N 1 0 391.559 3.529 40 0 GHABRO C[C@]12CCCN(C(=O)c3cccc(Cc4ccccc4F)n3)[C@H]1CCCC[NH2+]2 ZINC000257228616 570764534 /nfs/dbraw/zinc/76/45/34/570764534.db2.gz FUOUXCKXEDOXOQ-GMAHTHKFSA-N 1 0 381.495 3.948 40 0 GHABRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C2)c(C)c1C ZINC000257239566 570767908 /nfs/dbraw/zinc/76/79/08/570767908.db2.gz HPWWFUUTAKZULJ-GOSISDBHSA-N 1 0 391.519 3.977 40 0 GHABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000009062885 570773717 /nfs/dbraw/zinc/77/37/17/570773717.db2.gz BVYNNKDSFFTGJJ-UHFFFAOYSA-N 1 0 377.532 3.556 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 ZINC000260529633 570786919 /nfs/dbraw/zinc/78/69/19/570786919.db2.gz TVMNZHMIRCCKJH-DLBZAZTESA-N 1 0 394.581 3.955 40 0 GHABRO COc1ccccc1[C@@]1(O)CCC[C@@H]2C[N@H+](Cc3cnc(C(C)C)nc3)C[C@H]21 ZINC000072340983 570880834 /nfs/dbraw/zinc/88/08/34/570880834.db2.gz ZMAOSUYZYDLIEB-XQFWAAQXSA-N 1 0 381.520 3.728 40 0 GHABRO CCCc1ncc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340985 570881104 /nfs/dbraw/zinc/88/11/04/570881104.db2.gz OXYYHSFARQYGBZ-XQFWAAQXSA-N 1 0 381.520 3.557 40 0 GHABRO CO[C@H]1CC[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)CC1 ZINC000257258632 570895522 /nfs/dbraw/zinc/89/55/22/570895522.db2.gz KUVZZLHENCPOBW-CNFLGBHRSA-N 1 0 388.527 3.858 40 0 GHABRO c1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019369600 570925407 /nfs/dbraw/zinc/92/54/07/570925407.db2.gz ZMSPJIQWFOCDOI-JOCHJYFZSA-N 1 0 394.567 3.828 40 0 GHABRO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)cc1 ZINC000585104183 570929954 /nfs/dbraw/zinc/92/99/54/570929954.db2.gz KKJLFSUVAXPZEG-CYFREDJKSA-N 1 0 394.515 3.507 40 0 GHABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)s1 ZINC000585104590 570933647 /nfs/dbraw/zinc/93/36/47/570933647.db2.gz QUZBAIWXQTXYRT-QAPCUYQASA-N 1 0 391.581 3.503 40 0 GHABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]21)C(F)F ZINC000585109771 570938695 /nfs/dbraw/zinc/93/86/95/570938695.db2.gz SAXUKHGINQHOHI-XYJFISCASA-N 1 0 378.369 3.616 40 0 GHABRO CC(=O)OCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)o1 ZINC000019023003 856421769 /nfs/dbraw/zinc/42/17/69/856421769.db2.gz WSMQRFJVQZNWBS-KNXBSLHKSA-N 1 0 387.451 3.602 40 0 GHABRO Cn1cc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)ccc1=O ZINC000019713543 856428023 /nfs/dbraw/zinc/42/80/23/856428023.db2.gz XGBYEXSXSBALOV-HFMPRLQTSA-N 1 0 393.531 3.606 40 0 GHABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](C[C@H]4CCOC4)C3)cc2n1 ZINC000248187796 870311511 /nfs/dbraw/zinc/31/15/11/870311511.db2.gz ILWKHFNFALMWTL-KGLIPLIRSA-N 1 0 382.430 3.697 40 0 GHABRO Cc1nn(Cc2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)o2)c(C)c1Cl ZINC000002781534 209115647 /nfs/dbraw/zinc/11/56/47/209115647.db2.gz MQVRPADAGIFKID-UHFFFAOYSA-N 1 0 392.931 3.834 40 0 GHABRO CC[C@H](C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C)[nH+]1 ZINC000329042557 206242479 /nfs/dbraw/zinc/24/24/79/206242479.db2.gz SNRRIVYKMFQBHH-LBPRGKRZSA-N 1 0 380.414 3.879 40 0 GHABRO c1c([C@H]2C[N@H+](C3CCC3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306141246 209106766 /nfs/dbraw/zinc/10/67/66/209106766.db2.gz VPODVXDWODDIOT-OAQYLSRUSA-N 1 0 379.552 3.556 40 0 GHABRO c1csc(-c2cnc3n2CC[C@]32CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)c1 ZINC000306140114 209106493 /nfs/dbraw/zinc/10/64/93/209106493.db2.gz UKKVCSBXYMLJBM-NRFANRHFSA-N 1 0 379.485 3.888 40 0 GHABRO CC(=O)Nc1cc2ccccc2nc1C1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000019287208 207112754 /nfs/dbraw/zinc/11/27/54/207112754.db2.gz JDFVZOBQFVRFFM-UHFFFAOYSA-N 1 0 375.476 3.671 40 0 GHABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(OC3CCCC3)cc1)C2 ZINC000019291381 207115286 /nfs/dbraw/zinc/11/52/86/207115286.db2.gz CKUOTEWSNUKNKN-VXMMSVGHSA-N 1 0 395.547 3.861 40 0 GHABRO O=C(NCc1ccccn1)c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)no1 ZINC000019401941 207121109 /nfs/dbraw/zinc/12/11/09/207121109.db2.gz VNKAOEOWDNKTLO-UHFFFAOYSA-N 1 0 394.450 3.518 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1OC ZINC000019567852 207135867 /nfs/dbraw/zinc/13/58/67/207135867.db2.gz MSLBRVGSSUQPDZ-QGZVFWFLSA-N 1 0 380.448 3.528 40 0 GHABRO COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@H+](Cc4ccsc4)C[C@@H]32)c1 ZINC000019566389 207136706 /nfs/dbraw/zinc/13/67/06/207136706.db2.gz KIRFERUAAOCWPC-YPAWHYETSA-N 1 0 396.556 3.983 40 0 GHABRO Cc1c(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C ZINC000019694088 207148380 /nfs/dbraw/zinc/14/83/80/207148380.db2.gz GVDLGBSHQQCDHO-IBGZPJMESA-N 1 0 390.535 3.631 40 0 GHABRO O=C1[C@@H](C2CC[NH+](Cc3cccnc3)CC2)CC=CCN1Cc1ccccc1 ZINC000019695794 207149067 /nfs/dbraw/zinc/14/90/67/207149067.db2.gz NNGZJSZCSFUYEE-HSZRJFAPSA-N 1 0 375.516 3.899 40 0 GHABRO CN1CC[N@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019589486 207142508 /nfs/dbraw/zinc/14/25/08/207142508.db2.gz PMNWWGNYOVQZPY-NRFANRHFSA-N 1 0 391.540 3.943 40 0 GHABRO C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C3)ncc2C1 ZINC000019590645 207142693 /nfs/dbraw/zinc/14/26/93/207142693.db2.gz JRFANEOTSZEVPJ-IBGZPJMESA-N 1 0 398.510 3.761 40 0 GHABRO Cc1ccc(CNc2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(=O)[nH]2)cc1 ZINC000019717504 207154667 /nfs/dbraw/zinc/15/46/67/207154667.db2.gz NGJWMCWCBGRMMF-UHFFFAOYSA-N 1 0 389.503 3.877 40 0 GHABRO Cc1ccccc1CNc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[nH]1 ZINC000019717507 207154721 /nfs/dbraw/zinc/15/47/21/207154721.db2.gz ALOZNJZZEDQLHE-UHFFFAOYSA-N 1 0 389.503 3.877 40 0 GHABRO Cc1ccc([C@]2(O)CCN(C(=O)CC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000019719878 207155034 /nfs/dbraw/zinc/15/50/34/207155034.db2.gz AFBPVYZXOMSVFZ-DEOSSOPVSA-N 1 0 384.564 3.850 40 0 GHABRO COc1ccc2c(c1)OCC(c1cncn1Cc1ccccc1C[NH+](C)C)=C2 ZINC000019719409 207155828 /nfs/dbraw/zinc/15/58/28/207155828.db2.gz HAHZNNGDSJGUTD-UHFFFAOYSA-N 1 0 375.472 3.935 40 0 GHABRO O=C(COc1ccc2ccccc2c1)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020083512 207177848 /nfs/dbraw/zinc/17/78/48/207177848.db2.gz NAZVMRKYJCRHEF-COPCDDAFSA-N 1 0 376.500 3.575 40 0 GHABRO CC[NH+]1CCN(Cc2c(C)c(C)sc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000020218807 207184171 /nfs/dbraw/zinc/18/41/71/207184171.db2.gz KLCWSQOEVHFFBX-UHFFFAOYSA-N 1 0 387.549 3.763 40 0 GHABRO COc1ccc([C@]2(O)C[N+](c3cccc(C)c3C)=C3CCCCN32)cc1OC ZINC000022407377 207254083 /nfs/dbraw/zinc/25/40/83/207254083.db2.gz NJWXCTDDGUGMBQ-HSZRJFAPSA-N 1 0 381.496 3.581 40 0 GHABRO CCN(CC)C(=O)CN1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372474 208006387 /nfs/dbraw/zinc/00/63/87/208006387.db2.gz MQRWEZXPHUOSEE-HXUWFJFHSA-N 1 0 396.539 3.546 40 0 GHABRO CCc1cc(-c2cc(NC[C@H](c3ccc(C)cc3)[NH+](C)C)nc(C)n2)n(C)n1 ZINC000072373249 208009196 /nfs/dbraw/zinc/00/91/96/208009196.db2.gz CECXBWDOXQRZQR-OAQYLSRUSA-N 1 0 378.524 3.771 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 ZINC000072376666 208010053 /nfs/dbraw/zinc/01/00/53/208010053.db2.gz OHQLYVOXTBMCML-HXUWFJFHSA-N 1 0 390.535 3.806 40 0 GHABRO C[N@@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)Nc3ccccc3)CC[C@@H]12 ZINC000096145282 208274487 /nfs/dbraw/zinc/27/44/87/208274487.db2.gz TZHULCYLFPTXMF-NFBKMPQASA-N 1 0 392.503 3.644 40 0 GHABRO Cc1nc(-c2cc(C(=O)N3CCC([NH+](C)C)CC3)c3ccccn23)cn1C(C)C ZINC000096154945 208279369 /nfs/dbraw/zinc/27/93/69/208279369.db2.gz UODWMMHJOKMGBT-UHFFFAOYSA-N 1 0 393.535 3.858 40 0 GHABRO CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn32)CC1 ZINC000096156088 208279732 /nfs/dbraw/zinc/27/97/32/208279732.db2.gz IPKKDENWXQVIKA-UHFFFAOYSA-N 1 0 396.560 3.504 40 0 GHABRO O=C(Cc1cccs1)N1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216377 208286477 /nfs/dbraw/zinc/28/64/77/208286477.db2.gz KDUPGDWMGJYEEE-QFIPXVFZSA-N 1 0 384.545 3.684 40 0 GHABRO Clc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)c1 ZINC000096244276 208292402 /nfs/dbraw/zinc/29/24/02/208292402.db2.gz CKABGBKOVFNVTF-JOCHJYFZSA-N 1 0 392.890 3.866 40 0 GHABRO COc1ccc(C)cc1CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750278 208381152 /nfs/dbraw/zinc/38/11/52/208381152.db2.gz JASBZPIQGMDCNE-IEGUWTFLSA-N 1 0 381.520 3.564 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)s1 ZINC000306141963 209105726 /nfs/dbraw/zinc/10/57/26/209105726.db2.gz WLINTYYZJGBSFN-UHFFFAOYSA-N 1 0 399.589 3.813 40 0 GHABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306130240 209100423 /nfs/dbraw/zinc/10/04/23/209100423.db2.gz IZUQZVLIQYQVMY-LJQANCHMSA-N 1 0 390.466 3.649 40 0 GHABRO c1cc(C[NH+]2CCC(n3cnc4ncc(-c5ccncc5)nc43)CC2)cs1 ZINC000306128801 209099385 /nfs/dbraw/zinc/09/93/85/209099385.db2.gz HKYFTYMVLWVABO-UHFFFAOYSA-N 1 0 376.489 3.787 40 0 GHABRO CNC(=O)c1sc2nc([C@H]3CCC[N@@H+]3Cc3ccccc3F)ccc2c1N ZINC000257272481 209064006 /nfs/dbraw/zinc/06/40/06/209064006.db2.gz NCOIKCLSPAQBKB-MRXNPFEDSA-N 1 0 384.480 3.714 40 0 GHABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000072347846 222234824 /nfs/dbraw/zinc/23/48/24/222234824.db2.gz XAGSJYHYDVUZIM-AEFFLSMTSA-N 1 0 394.471 3.839 40 0 GHABRO CCC[NH+]1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)CC1 ZINC000004980712 534929536 /nfs/dbraw/zinc/92/95/36/534929536.db2.gz ASMJKXISLRIIOM-UHFFFAOYSA-N 1 0 393.510 3.946 40 0 GHABRO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000514289299 560032985 /nfs/dbraw/zinc/03/29/85/560032985.db2.gz HQEVAPXZSOVUIZ-CTNGQTDRSA-N 1 0 379.504 3.702 40 0 biogenic,in-vitro GHABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)n1 ZINC000329038649 570214092 /nfs/dbraw/zinc/21/40/92/570214092.db2.gz RTUVNDZNPOOSAB-UHFFFAOYSA-N 1 0 399.848 3.587 40 0 GHABRO O=C1CCCC[C@]2(C[N@H+](CCOc3ccc(F)cc3)C[C@H]2c2ccccc2)N1 ZINC000585261773 570228746 /nfs/dbraw/zinc/22/87/46/570228746.db2.gz JBMZQIAYGAAWBU-JTHBVZDNSA-N 1 0 382.479 3.733 40 0 GHABRO O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000663733585 570276228 /nfs/dbraw/zinc/27/62/28/570276228.db2.gz FHQRSTPMLDDYOM-BHDDXSALSA-N 1 0 397.469 3.567 40 0 GHABRO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NC[C@H](C)c4ccccc4)=NO3)C2)cc1 ZINC000107231596 570308773 /nfs/dbraw/zinc/30/87/73/570308773.db2.gz XHPZHGNKPXTLLQ-YADARESESA-N 1 0 391.515 3.636 40 0 GHABRO C[NH+]1CCN(c2ncccc2[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC000072216613 570317363 /nfs/dbraw/zinc/31/73/63/570317363.db2.gz TZIPWGPIQLMKKV-OAQYLSRUSA-N 1 0 394.519 3.697 40 0 GHABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2)CC1 ZINC000219236133 570349888 /nfs/dbraw/zinc/34/98/88/570349888.db2.gz DCXJBVPVOWGNPV-UHFFFAOYSA-N 1 0 396.516 3.960 40 0 GHABRO CCN(CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCC2 ZINC000004848722 570412069 /nfs/dbraw/zinc/41/20/69/570412069.db2.gz SJULWNAGWWLPFW-UHFFFAOYSA-N 1 0 386.517 3.757 40 0 GHABRO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)c1 ZINC000027386138 570434190 /nfs/dbraw/zinc/43/41/90/570434190.db2.gz UQXRWFYIVPGOFJ-QHCPKHFHSA-N 1 0 376.500 3.710 40 0 GHABRO CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)[NH2+]1 ZINC000146605125 570443361 /nfs/dbraw/zinc/44/33/61/570443361.db2.gz STWTUEAWRAIWJG-UHFFFAOYSA-N 1 0 393.491 3.927 40 0 GHABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCC(N)=O ZINC000008253713 570525819 /nfs/dbraw/zinc/52/58/19/570525819.db2.gz RGHLWANDELPMGA-UHFFFAOYSA-N 1 0 399.329 3.524 40 0 GHABRO COc1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c(OC)c1 ZINC000225229986 570557976 /nfs/dbraw/zinc/55/79/76/570557976.db2.gz WVAUTFPTDXJOSB-UHFFFAOYSA-N 1 0 391.562 3.716 40 0 GHABRO CC[NH+]1CCN(c2ccc(NCc3cc4cc(C)ccc4[nH]c3=O)cc2)CC1 ZINC000012088337 570606510 /nfs/dbraw/zinc/60/65/10/570606510.db2.gz ATDQRDKCACSSOR-UHFFFAOYSA-N 1 0 376.504 3.591 40 0 GHABRO C[C@@H](CCc1ccccc1)NC(=O)Cn1cccc2cc(C3CC[NH2+]CC3)nc1-2 ZINC000012220692 570627686 /nfs/dbraw/zinc/62/76/86/570627686.db2.gz VUMQPUYAVXXSNW-SFHVURJKSA-N 1 0 390.531 3.592 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc3c(c2)CCCC3)CC1 ZINC000012292615 570633678 /nfs/dbraw/zinc/63/36/78/570633678.db2.gz KPSSUYSJJISTBK-QFIPXVFZSA-N 1 0 381.516 3.591 40 0 GHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000012362757 570646202 /nfs/dbraw/zinc/64/62/02/570646202.db2.gz BOIPPHKBNSOQIF-QGZVFWFLSA-N 1 0 375.513 3.791 40 0 GHABRO COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1OC ZINC000053536280 570675065 /nfs/dbraw/zinc/67/50/65/570675065.db2.gz NXNRBPIRGLXTCF-KRWDZBQOSA-N 1 0 381.476 3.761 40 0 GHABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2Br)C1 ZINC000089212639 570747865 /nfs/dbraw/zinc/74/78/65/570747865.db2.gz DXNWTQGPXBXAAR-OAHLLOKOSA-N 1 0 383.330 3.981 40 0 GHABRO COC(=O)[C@]1(Cc2cccc(F)c2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340255 570880402 /nfs/dbraw/zinc/88/04/02/570880402.db2.gz CPGPVEFITTVHQH-QTEQDKRBSA-N 1 0 381.447 3.534 40 0 GHABRO O=C(CCc1ccc(Cl)cc1)N1CCC[C@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585101802 570927428 /nfs/dbraw/zinc/92/74/28/570927428.db2.gz HKSXFUCULRDLJV-CTNGQTDRSA-N 1 0 376.928 3.519 40 0 GHABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)s1 ZINC000585104588 570933483 /nfs/dbraw/zinc/93/34/83/570933483.db2.gz QUZBAIWXQTXYRT-CRAIPNDOSA-N 1 0 391.581 3.503 40 0 GHABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]21)c1ccncc1 ZINC000585109690 570938246 /nfs/dbraw/zinc/93/82/46/570938246.db2.gz IUTOVMAJSMBPET-SLFFLAALSA-N 1 0 383.442 3.627 40 0 GHABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000585169190 570995693 /nfs/dbraw/zinc/99/56/93/570995693.db2.gz VIWLEXJZBOYJMQ-QFIPXVFZSA-N 1 0 378.516 3.541 40 0 GHABRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CCC2(CCCCC2)CC1 ZINC000661439424 570998415 /nfs/dbraw/zinc/99/84/15/570998415.db2.gz KXGDXPYESXFUCH-UHFFFAOYSA-N 1 0 377.573 3.633 40 0 GHABRO CNc1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)[N@@H+]3C)ccn1 ZINC000019712919 856426859 /nfs/dbraw/zinc/42/68/59/856426859.db2.gz JAKYTVZZWFFIBC-VSKRKVRLSA-N 1 0 392.547 3.824 40 0 GHABRO COc1ccc(CC(=O)N2CCCCC[C@H]3[NH2+][C@H](Cc4ccccc4)C[C@@H]32)cc1 ZINC000019712949 856427308 /nfs/dbraw/zinc/42/73/08/856427308.db2.gz VBXNFVVABSVFKL-JRFVFWCSSA-N 1 0 392.543 3.982 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4cccc(F)c4)[C@H]3C2)cc1 ZINC000247958505 880094904 /nfs/dbraw/zinc/09/49/04/880094904.db2.gz UKWRYFQDPYCLDJ-OFAXGOBFSA-N 1 0 382.479 3.904 40 0 GHABRO CSc1ccc([C@@H]2NC(=[NH+]C3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000101983243 231011505 /nfs/dbraw/zinc/01/15/05/231011505.db2.gz MCEIPFGBHYSEBU-GOSISDBHSA-N 1 0 383.521 3.524 40 0 GHABRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002778842 209115105 /nfs/dbraw/zinc/11/51/05/209115105.db2.gz ITJLMXSFRIROFC-GHMZBOCLSA-N 1 0 394.869 3.840 40 0 GHABRO CC[C@@H](C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C)[nH+]1 ZINC000329042556 206242693 /nfs/dbraw/zinc/24/26/93/206242693.db2.gz SNRRIVYKMFQBHH-GFCCVEGCSA-N 1 0 380.414 3.879 40 0 GHABRO C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(c3c(cc1O)CNC3=[NH2+])O2 ZINC000252516343 206281274 /nfs/dbraw/zinc/28/12/74/206281274.db2.gz SDIGNZADDDFEPI-AVWNJZFJSA-N 1 0 384.520 3.728 40 0 biogenic,in-vitro GHABRO CN(C)c1nc2ccccc2cc1CN(CCC[NH+](C)C)Cc1ccccn1 ZINC000012147899 206861897 /nfs/dbraw/zinc/86/18/97/206861897.db2.gz VLVVBBIQBOVOPX-UHFFFAOYSA-N 1 0 377.536 3.650 40 0 GHABRO CC(=O)N(C)C1CCC2(CC1)C[N@H+](Cc1ccccn1)Cc1ccccc1O2 ZINC000019016297 207099679 /nfs/dbraw/zinc/09/96/79/207099679.db2.gz DAHIDLVVCQNJCN-UHFFFAOYSA-N 1 0 379.504 3.636 40 0 GHABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](Cc4cccc(OC)c4)C[C@@H]32)cc1 ZINC000019019433 207101800 /nfs/dbraw/zinc/10/18/00/207101800.db2.gz RMFWARZHUOCHKT-WXFUMESZSA-N 1 0 394.515 3.540 40 0 GHABRO CCc1nccn1CCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019523641 207128934 /nfs/dbraw/zinc/12/89/34/207128934.db2.gz DPMPORDLPRUCRT-PQNGQFLHSA-N 1 0 394.563 3.705 40 0 GHABRO CCn1c(CNC(=O)c2cc(C[NH+]3CCCCC3)c(C)o2)nc2ccccc21 ZINC000019524359 207129018 /nfs/dbraw/zinc/12/90/18/207129018.db2.gz SIMXQOLCJIBCHG-UHFFFAOYSA-N 1 0 380.492 3.874 40 0 GHABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCC[N@H+](CC2CC2)C1 ZINC000019530019 207130349 /nfs/dbraw/zinc/13/03/49/207130349.db2.gz HUWJZHSGLWBATD-JTSKRJEESA-N 1 0 388.483 3.764 40 0 GHABRO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@H+](CC3CCCCC3)C2)no1 ZINC000019405408 207121910 /nfs/dbraw/zinc/12/19/10/207121910.db2.gz GKRSBMKVSZBIMO-LJQANCHMSA-N 1 0 382.508 3.759 40 0 GHABRO CC(C)Oc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 ZINC000019450580 207122542 /nfs/dbraw/zinc/12/25/42/207122542.db2.gz AITRSFFJMMJJPY-IBGZPJMESA-N 1 0 390.487 3.609 40 0 GHABRO COc1ccc2nc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)ccc2c1 ZINC000019563713 207134312 /nfs/dbraw/zinc/13/43/12/207134312.db2.gz WKRLBLKVFYTMNW-IRLDBZIGSA-N 1 0 397.425 3.631 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)c(C)c1C ZINC000019577369 207138172 /nfs/dbraw/zinc/13/81/72/207138172.db2.gz CSITZRKBZZTMEO-QGZVFWFLSA-N 1 0 379.464 3.532 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3cc(C(=O)N4CCCCC4)on3)CC2)cc1 ZINC000019555015 207133065 /nfs/dbraw/zinc/13/30/65/207133065.db2.gz KDSDUQTZADHHBY-UHFFFAOYSA-N 1 0 383.492 3.689 40 0 GHABRO Cc1c(-c2cc(C(=O)NC3(C[NH+]4CCC(C)CC4)CCCCC3)on2)cnn1C ZINC000019554220 207133318 /nfs/dbraw/zinc/13/33/18/207133318.db2.gz FKBMNNKLALAUJI-UHFFFAOYSA-N 1 0 399.539 3.548 40 0 GHABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCCC[N@@H+]2CC(C)(C)C)n1 ZINC000019687701 207148752 /nfs/dbraw/zinc/14/87/52/207148752.db2.gz UZWZWEBQJLMDQS-LJQANCHMSA-N 1 0 395.551 3.882 40 0 GHABRO Cc1noc(C)c1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2C ZINC000019580078 207140456 /nfs/dbraw/zinc/14/04/56/207140456.db2.gz RDRJZRMQQHCPMC-ZVDOUQERSA-N 1 0 385.483 3.913 40 0 GHABRO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccs2)C1 ZINC000019591772 207141011 /nfs/dbraw/zinc/14/10/11/207141011.db2.gz OWLBKHYDUPMFMJ-HSZRJFAPSA-N 1 0 391.540 3.991 40 0 GHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019591762 207141714 /nfs/dbraw/zinc/14/17/14/207141714.db2.gz OJIPYRSUYSHEJL-RUZDIDTESA-N 1 0 385.511 3.929 40 0 GHABRO O=C(CCc1ccc2c(c1)OCCO2)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024618231 207292829 /nfs/dbraw/zinc/29/28/29/207292829.db2.gz CQPPVBUZKUJQKP-UHFFFAOYSA-N 1 0 394.515 3.693 40 0 GHABRO CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)cc1 ZINC000028296060 207340334 /nfs/dbraw/zinc/34/03/34/207340334.db2.gz DWWLVZSEIPDJRP-HXUWFJFHSA-N 1 0 379.460 3.773 40 0 GHABRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000030872502 207378228 /nfs/dbraw/zinc/37/82/28/207378228.db2.gz ZWQIHGINLGJYDR-UHFFFAOYSA-N 1 0 388.533 3.879 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353265 208000653 /nfs/dbraw/zinc/00/06/53/208000653.db2.gz NNIDNCGOWCWSTK-GOSISDBHSA-N 1 0 381.524 3.576 40 0 GHABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4cccc(OC)c4OC)C3)n2)c1 ZINC000072369874 208004864 /nfs/dbraw/zinc/00/48/64/208004864.db2.gz ACHHEBQWIFEYIR-KRWDZBQOSA-N 1 0 395.459 3.752 40 0 GHABRO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2CC(=O)N2CCC(C)CC2)[nH+]1 ZINC000072372495 208005754 /nfs/dbraw/zinc/00/57/54/208005754.db2.gz DXQQIZJKHKGFNS-OAQYLSRUSA-N 1 0 393.535 3.924 40 0 GHABRO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371466 208006735 /nfs/dbraw/zinc/00/67/35/208006735.db2.gz CNAICARGPPTTLQ-MRXNPFEDSA-N 1 0 399.926 3.716 40 0 GHABRO CC(C)c1nc(-c2cc(C(=O)N3CCC[N@H+](C)CC3)c3ccccn23)cs1 ZINC000096154836 208278682 /nfs/dbraw/zinc/27/86/82/208278682.db2.gz WJUALGYBMQJXNT-UHFFFAOYSA-N 1 0 382.533 3.964 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21)NC1CC1 ZINC000096052990 208258775 /nfs/dbraw/zinc/25/87/75/208258775.db2.gz LAMGKOPREVNJJZ-SFHVURJKSA-N 1 0 375.516 3.771 40 0 GHABRO O=S(=O)(Cc1ccccc1)N1CCC[C@]2(CCC[N@@H+]2CC2CCCC2)C1 ZINC000096071350 208258991 /nfs/dbraw/zinc/25/89/91/208258991.db2.gz DSTWWHGAHXUMFU-OAQYLSRUSA-N 1 0 376.566 3.637 40 0 GHABRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)n1 ZINC000096239643 208292590 /nfs/dbraw/zinc/29/25/90/208292590.db2.gz LTNZFWCAAAJMNC-IBGZPJMESA-N 1 0 376.426 3.662 40 0 GHABRO Clc1cccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCC4CC4)nc23)c1 ZINC000096244101 208293216 /nfs/dbraw/zinc/29/32/16/208293216.db2.gz HTPFAWCGKSGPCY-NRFANRHFSA-N 1 0 384.911 3.626 40 0 GHABRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC000096244342 208295255 /nfs/dbraw/zinc/29/52/55/208295255.db2.gz UKGZUYMRCFDUEC-XMMPIXPASA-N 1 0 387.483 3.826 40 0 GHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 ZINC000100750214 208381394 /nfs/dbraw/zinc/38/13/94/208381394.db2.gz AKQJVCYMGPJCCQ-IXFSTUDKSA-N 1 0 383.511 3.989 40 0 GHABRO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccn(C(C)C)c2)n2ccccc12 ZINC000306136172 209104602 /nfs/dbraw/zinc/10/46/02/209104602.db2.gz PLMBZZUYGDZJLD-UHFFFAOYSA-N 1 0 381.524 3.845 40 0 GHABRO c1cncc(-c2ccc3nc([C@H]4CC[N@@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306132529 209101991 /nfs/dbraw/zinc/10/19/91/209101991.db2.gz LLOJLWBKFIZQTI-IBGZPJMESA-N 1 0 399.454 3.510 40 0 GHABRO Cc1cccc(N2[C@H]3CC[N@H+](CC(N)=O)C[C@H]3C[C@@]2(C)Cc2cccc(F)c2)c1 ZINC000257205303 209056391 /nfs/dbraw/zinc/05/63/91/209056391.db2.gz AYLDUPUYEUKCLC-WNOPAQSVSA-N 1 0 395.522 3.521 40 0 GHABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000257213416 209057816 /nfs/dbraw/zinc/05/78/16/209057816.db2.gz CHMLQTFARCWCFM-MRXNPFEDSA-N 1 0 380.517 3.773 40 0 GHABRO Cc1noc(C)c1-c1cnc(CC[C@H]2CCC[N@@H+]2Cc2ncccc2F)cn1 ZINC000257264429 209064059 /nfs/dbraw/zinc/06/40/59/209064059.db2.gz LUHYUOYOYSWYPS-QGZVFWFLSA-N 1 0 381.455 3.880 40 0 GHABRO O=C1CO[C@@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000257277261 209066097 /nfs/dbraw/zinc/06/60/97/209066097.db2.gz NXCNVJYFIVBLKA-DEOSSOPVSA-N 1 0 396.506 3.652 40 0 GHABRO C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219051989 136203991 /nfs/dbraw/zinc/20/39/91/136203991.db2.gz WDHYNHYSMVLFDP-GOSISDBHSA-N 1 0 389.499 3.998 40 0 GHABRO Cc1cnc(C(=O)N2[C@H](Cc3ccccc3)C[C@]3(C)[NH2+]CCCCC[C@H]23)cn1 ZINC000257315735 209074398 /nfs/dbraw/zinc/07/43/98/209074398.db2.gz VCOAWCMXORCLDE-NWSQWKLXSA-N 1 0 378.520 3.533 40 0 GHABRO CCOc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@@H+]4C)[nH]n2)cc1 ZINC000257325094 209076989 /nfs/dbraw/zinc/07/69/89/209076989.db2.gz WRKWNNUQFGZBLS-GMAHTHKFSA-N 1 0 396.535 3.954 40 0 GHABRO C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)C[NH+]1CCCCC1 ZINC000257335968 209078940 /nfs/dbraw/zinc/07/89/40/209078940.db2.gz YMPRAJPLOINJQK-JOCHJYFZSA-N 1 0 385.483 3.728 40 0 GHABRO Cc1nc[nH]c1C[N@@H+](C)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257343919 209080874 /nfs/dbraw/zinc/08/08/74/209080874.db2.gz ZUYFKBVRSQSJGQ-LCNLMQJVSA-N 1 0 383.536 3.785 40 0 GHABRO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039753383 534051217 /nfs/dbraw/zinc/05/12/17/534051217.db2.gz KQFLHPKNTSOTQJ-UHFFFAOYSA-N 1 0 384.451 3.771 40 0 GHABRO COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCC[N@@H+]2CC(C)C)cc1 ZINC000019766474 570217598 /nfs/dbraw/zinc/21/75/98/570217598.db2.gz AUWWTDKRSLSOOU-NRFANRHFSA-N 1 0 396.535 3.907 40 0 GHABRO CC(C)(C)[C@H]1CC[C@](O)(C[NH+]2CCC(O)(COc3ccc(F)cc3)CC2)CC1 ZINC000585285066 570254319 /nfs/dbraw/zinc/25/43/19/570254319.db2.gz CAKQNCUWBUGOQN-CXGRPWHSSA-N 1 0 393.543 3.999 40 0 GHABRO Cn1cc(C[NH+]2CCC3(CC2)c2ccccc2N(c2ccsc2)C3=O)cn1 ZINC000106802210 570307229 /nfs/dbraw/zinc/30/72/29/570307229.db2.gz UOFPPVATQLTZAO-UHFFFAOYSA-N 1 0 378.501 3.694 40 0 GHABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2c3cc(C)cnc3[nH]c2C(C)C)cc1 ZINC000057773796 570373615 /nfs/dbraw/zinc/37/36/15/570373615.db2.gz GCEHITWBMSRGAF-KRWDZBQOSA-N 1 0 397.519 3.875 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000223211356 570450217 /nfs/dbraw/zinc/45/02/17/570450217.db2.gz IEIBHNQFCJPTHB-CVEARBPZSA-N 1 0 380.970 3.721 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000223247876 570452795 /nfs/dbraw/zinc/45/27/95/570452795.db2.gz QFTGXYWVLQSDAO-LEWJYISDSA-N 1 0 397.592 3.922 40 0 GHABRO CC(C)(CNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)[NH+]1CCCCC1 ZINC000035316561 570469817 /nfs/dbraw/zinc/46/98/17/570469817.db2.gz XXUWXJWHCHEVIF-UHFFFAOYSA-N 1 0 395.482 3.530 40 0 GHABRO CCOc1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000225212416 570556581 /nfs/dbraw/zinc/55/65/81/570556581.db2.gz LAYAKXZKZFOZMX-UHFFFAOYSA-N 1 0 381.545 3.567 40 0 GHABRO CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038854366 570588401 /nfs/dbraw/zinc/58/84/01/570588401.db2.gz DUWGANSQZOLMHU-GOSISDBHSA-N 1 0 397.494 3.815 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 ZINC000225582992 570590687 /nfs/dbraw/zinc/59/06/87/570590687.db2.gz UEXXMWFJKXTAJQ-GOSISDBHSA-N 1 0 388.581 3.754 40 0 GHABRO C[C@H]1CCCC[N@@H+]1CCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000012239922 570630121 /nfs/dbraw/zinc/63/01/21/570630121.db2.gz MIMORLAVLJDNHO-HNNXBMFYSA-N 1 0 380.521 3.948 40 0 GHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000012362863 570646218 /nfs/dbraw/zinc/64/62/18/570646218.db2.gz GAIRHVNEJHDYFO-MRXNPFEDSA-N 1 0 377.941 3.997 40 0 GHABRO COc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260846291 570710466 /nfs/dbraw/zinc/71/04/66/570710466.db2.gz KROUASWWVBAJQE-SFHVURJKSA-N 1 0 382.504 3.736 40 0 GHABRO COc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OCC(N)=O ZINC000008469995 570770552 /nfs/dbraw/zinc/77/05/52/570770552.db2.gz WWFBQGCNFHNTDX-UHFFFAOYSA-N 1 0 399.329 3.524 40 0 GHABRO CCn1c2ccccc2nc1N1CCN(C(=S)Nc2ccc(OC)cc2)CC1 ZINC000013634295 570862172 /nfs/dbraw/zinc/86/21/72/570862172.db2.gz NEWMBJMYBZSPLP-UHFFFAOYSA-N 1 0 395.532 3.584 40 0 GHABRO COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340198 570880425 /nfs/dbraw/zinc/88/04/25/570880425.db2.gz IHTDYAZQAUYTQQ-RFWXGWTQSA-N 1 0 381.447 3.534 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353262 570881480 /nfs/dbraw/zinc/88/14/80/570881480.db2.gz VBPUHLNUKFNTRN-SFHVURJKSA-N 1 0 381.524 3.576 40 0 GHABRO Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1ccc(Nc2cccc(C)n2)cn1 ZINC000072353084 570881504 /nfs/dbraw/zinc/88/15/04/570881504.db2.gz PIKLVPRCERKVGT-IBGZPJMESA-N 1 0 376.464 3.548 40 0 GHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000257291713 570903445 /nfs/dbraw/zinc/90/34/45/570903445.db2.gz QIHYOIQIBJECQL-DNVFCKCGSA-N 1 0 383.511 3.989 40 0 GHABRO COc1ccc(CCC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000257316778 570906959 /nfs/dbraw/zinc/90/69/59/570906959.db2.gz VGYUHDNCHVUIEE-YDHSSHFGSA-N 1 0 381.520 3.645 40 0 GHABRO Cc1cccc(C[N@H+]2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 ZINC000585104776 570933735 /nfs/dbraw/zinc/93/37/35/570933735.db2.gz SZGNEPFJFYQHTA-HYBUGGRVSA-N 1 0 378.516 3.807 40 0 GHABRO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062806 856410014 /nfs/dbraw/zinc/41/00/14/856410014.db2.gz RNMZTHOGFUHWIT-UHFFFAOYSA-N 1 0 379.504 3.676 40 0 GHABRO CC[C@@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)[nH+]1 ZINC000329059579 206243430 /nfs/dbraw/zinc/24/34/30/206243430.db2.gz WHTJOCOPNOJHGZ-GFCCVEGCSA-N 1 0 375.314 3.783 40 0 GHABRO CC[C@@H](C)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C)[nH+]1 ZINC000328980350 206239520 /nfs/dbraw/zinc/23/95/20/206239520.db2.gz GLESMBXCHXJHFD-GFCCVEGCSA-N 1 0 375.314 3.743 40 0 GHABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2N)CC1 ZINC000226263553 206258517 /nfs/dbraw/zinc/25/85/17/206258517.db2.gz OQAZTYNMSYMWLN-UHFFFAOYSA-N 1 0 393.318 3.970 40 0 GHABRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(OC)c3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128524 206858966 /nfs/dbraw/zinc/85/89/66/206858966.db2.gz AGFVVBZZQMJDRI-VQTJNVASSA-N 1 0 393.487 3.819 40 0 GHABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)Cc1coc2cc(C)ccc12 ZINC000012238268 206874165 /nfs/dbraw/zinc/87/41/65/206874165.db2.gz AERMNILYDRJXPC-UHFFFAOYSA-N 1 0 380.488 3.883 40 0 GHABRO COc1ccc([C@H]2C[N@H+](Cc3cccc(OC)c3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017764 207099286 /nfs/dbraw/zinc/09/92/86/207099286.db2.gz RNEOICBJBSNCNL-WXFUMESZSA-N 1 0 394.515 3.683 40 0 GHABRO Cc1c2cc(C)ccc2oc1C(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019220377 207107947 /nfs/dbraw/zinc/10/79/47/207107947.db2.gz WPODZGNVZLKCIN-UHFFFAOYSA-N 1 0 390.487 3.505 40 0 GHABRO COc1ccc(Br)cc1CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019361795 207118317 /nfs/dbraw/zinc/11/83/17/207118317.db2.gz HZIUADIWXDMZDB-DAYGRLMNSA-N 1 0 379.342 3.764 40 0 GHABRO c1ccc([C@@H]2C[N@@H+](Cc3cnc(N4CCOCC4)nc3)CC23CCCCC3)cc1 ZINC000019370018 207120571 /nfs/dbraw/zinc/12/05/71/207120571.db2.gz WRXDWGAAGZYAIE-QFIPXVFZSA-N 1 0 392.547 3.863 40 0 GHABRO CCc1oc(C(=O)N(C)C[C@H]2OCCc3ccccc32)cc1C[NH+]1CCCC1 ZINC000019521493 207126166 /nfs/dbraw/zinc/12/61/66/207126166.db2.gz HTODLJVHTQBKTN-JOCHJYFZSA-N 1 0 382.504 3.824 40 0 GHABRO CCCN1CC[N@H+](CC2CC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503051 207126820 /nfs/dbraw/zinc/12/68/20/207126820.db2.gz SOKLGGDRXFGFLN-HSZRJFAPSA-N 1 0 377.532 3.872 40 0 GHABRO CCc1nccn1CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C ZINC000019523638 207128708 /nfs/dbraw/zinc/12/87/08/207128708.db2.gz ZBCFHNKYTKIGAF-PQNGQFLHSA-N 1 0 394.563 3.705 40 0 GHABRO CCOc1cc(C[NH+]2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)ccc1OC ZINC000019531928 207129755 /nfs/dbraw/zinc/12/97/55/207129755.db2.gz UMVPAKHPSSSIQO-HSZRJFAPSA-N 1 0 397.519 3.578 40 0 GHABRO COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C1)CCCC2 ZINC000019550514 207130827 /nfs/dbraw/zinc/13/08/27/207130827.db2.gz BJWQFPAZMYPLJD-LEEZEASISA-N 1 0 378.516 3.699 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1OC(C)C ZINC000019450491 207120978 /nfs/dbraw/zinc/12/09/78/207120978.db2.gz SFEDVNZBNKFRSO-KRWDZBQOSA-N 1 0 395.507 3.539 40 0 GHABRO C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C)n1cccn1 ZINC000019455388 207123126 /nfs/dbraw/zinc/12/31/26/207123126.db2.gz LXXWRSNWPBHUTH-RJSMDTJLSA-N 1 0 380.536 3.703 40 0 GHABRO Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)C[NH+]2CCCCCC2)c1C ZINC000019558430 207135229 /nfs/dbraw/zinc/13/52/29/207135229.db2.gz ZPQUVTHRTCOAER-IBGZPJMESA-N 1 0 397.523 3.596 40 0 GHABRO Cc1cc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc(C)c1O ZINC000019569980 207135689 /nfs/dbraw/zinc/13/56/89/207135689.db2.gz BHRXGNVMTLEGDG-UHFFFAOYSA-N 1 0 390.487 3.946 40 0 GHABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2Cc2ccccc2)cc(OC)c1OC ZINC000019549906 207131603 /nfs/dbraw/zinc/13/16/03/207131603.db2.gz SLROMJHAJNOPMM-LEWJYISDSA-N 1 0 396.531 3.604 40 0 GHABRO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000019690120 207148037 /nfs/dbraw/zinc/14/80/37/207148037.db2.gz KVIZXDDEOLWRFE-IBGZPJMESA-N 1 0 396.926 3.934 40 0 GHABRO COc1ccc2cnc(C3CC[NH+](CC(=O)[C@]4(C)CCCO4)CC3)cc2c1C ZINC000019582716 207140341 /nfs/dbraw/zinc/14/03/41/207140341.db2.gz RCTLHRHSXSROQP-QHCPKHFHSA-N 1 0 382.504 3.869 40 0 GHABRO CC1CCN(c2ncc(CN(Cc3ccccc3)C3CC[NH+](C)CC3)cn2)CC1 ZINC000019715734 207154093 /nfs/dbraw/zinc/15/40/93/207154093.db2.gz MEROWXKXGMPYNS-UHFFFAOYSA-N 1 0 393.579 3.809 40 0 GHABRO COc1cc2c(cc1-c1cncn1Cc1ccccc1C[NH+](C)C)OCCCO2 ZINC000019720013 207155539 /nfs/dbraw/zinc/15/55/39/207155539.db2.gz MTTZROIKJBCCEU-UHFFFAOYSA-N 1 0 393.487 3.830 40 0 GHABRO Cn1nccc1C[NH+]1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 ZINC000019743949 207158124 /nfs/dbraw/zinc/15/81/24/207158124.db2.gz USOZKCKGFYGOOH-HSZRJFAPSA-N 1 0 394.563 3.504 40 0 GHABRO CCOc1ccc(CCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OCC ZINC000020106032 207177119 /nfs/dbraw/zinc/17/71/19/207177119.db2.gz KRCUUUHLNVIZCE-KDURUIRLSA-N 1 0 390.568 3.901 40 0 GHABRO CCc1nc(-c2cncnc2[C@H]2CCC[N@H+](CCCc3ccccc3)C2)no1 ZINC000072356136 208000213 /nfs/dbraw/zinc/00/02/13/208000213.db2.gz FTKWBMDQRROGQR-SFHVURJKSA-N 1 0 377.492 3.901 40 0 GHABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000072358517 208003624 /nfs/dbraw/zinc/00/36/24/208003624.db2.gz HTHNGPXGMWBGAJ-NRFANRHFSA-N 1 0 386.499 3.665 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)[nH]n3)C2)c1 ZINC000072371183 208005769 /nfs/dbraw/zinc/00/57/69/208005769.db2.gz OWGHQCOLCQKPJX-GOSISDBHSA-N 1 0 396.535 3.860 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cc1 ZINC000096038273 208255376 /nfs/dbraw/zinc/25/53/76/208255376.db2.gz WZKRNNRKQSYACD-UHFFFAOYSA-N 1 0 391.519 3.718 40 0 GHABRO Cc1cc(C)cc(C[NH+]2CCC3(C[C@@H](NC(=O)c4cccs4)CO3)CC2)c1 ZINC000096221239 208287234 /nfs/dbraw/zinc/28/72/34/208287234.db2.gz SAFLOEUMZCFTCY-LJQANCHMSA-N 1 0 384.545 3.918 40 0 GHABRO CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000096627966 208321531 /nfs/dbraw/zinc/32/15/31/208321531.db2.gz VZGCDGGXDGHKPU-FQEVSTJZSA-N 1 0 380.488 3.643 40 0 GHABRO O=C1C[C@H](N2CCC(CCc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100227749 208374830 /nfs/dbraw/zinc/37/48/30/208374830.db2.gz NWLPXYSDKJPUBQ-NRFANRHFSA-N 1 0 398.453 3.942 40 0 GHABRO Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 ZINC000306133691 209102475 /nfs/dbraw/zinc/10/24/75/209102475.db2.gz MSWGGYWXTQSPKU-NHCUHLMSSA-N 1 0 377.513 3.940 40 0 GHABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccc(F)c4)C2)OC3)c1 ZINC000306130447 209100374 /nfs/dbraw/zinc/10/03/74/209100374.db2.gz JGNWBHNDDDJTJZ-HSZRJFAPSA-N 1 0 393.462 3.873 40 0 GHABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306130239 209099681 /nfs/dbraw/zinc/09/96/81/209099681.db2.gz IZUQZVLIQYQVMY-IBGZPJMESA-N 1 0 390.466 3.649 40 0 GHABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)cc1 ZINC000306124530 209097289 /nfs/dbraw/zinc/09/72/89/209097289.db2.gz BSTPALZEQXEODV-XZOQPEGZSA-N 1 0 387.483 3.578 40 0 GHABRO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](C2CCC2)C3)cc1 ZINC000096111875 209009606 /nfs/dbraw/zinc/00/96/06/209009606.db2.gz OAZXJWVHROAYBQ-FPOVZHCZSA-N 1 0 378.472 3.616 40 0 biogenic,in-vitro GHABRO Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2C ZINC000257251142 209059129 /nfs/dbraw/zinc/05/91/29/209059129.db2.gz JPOGQGRLXQEOMJ-WGVRVLLMSA-N 1 0 382.533 3.601 40 0 GHABRO CN(C)C(=O)c1sc2nc([C@H]3CCC[N@@H+]3CCc3ccccc3)ccc2c1N ZINC000257270270 209064830 /nfs/dbraw/zinc/06/48/30/209064830.db2.gz MTLVXALYXKZASQ-GOSISDBHSA-N 1 0 394.544 3.960 40 0 GHABRO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C)[C@@H]3C)C[C@H]2c2csnn2)cc1 ZINC000072341402 222231881 /nfs/dbraw/zinc/23/18/81/222231881.db2.gz OKXDKRMWHYEUNX-QGZVKYPTSA-N 1 0 398.576 3.677 40 0 GHABRO Cc1ccccc1Cc1cccc(C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000072349729 222236604 /nfs/dbraw/zinc/23/66/04/222236604.db2.gz SRFZNKTXXNWCKD-UHFFFAOYSA-N 1 0 377.532 3.783 40 0 GHABRO O=C(CC[NH+]1CCCCC1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000005594207 560202530 /nfs/dbraw/zinc/20/25/30/560202530.db2.gz QSBRTZBQSHLYRI-DEOSSOPVSA-N 1 0 388.515 3.913 40 0 in-vitro GHABRO CC(C)c1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329039159 570214054 /nfs/dbraw/zinc/21/40/54/570214054.db2.gz RWMXZZQNEGIZNH-INIZCTEOSA-N 1 0 380.536 3.992 40 0 GHABRO Cc1cc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)ccc1Cl ZINC000329042622 570214491 /nfs/dbraw/zinc/21/44/91/570214491.db2.gz SPHOUMVTSZSQMG-UHFFFAOYSA-N 1 0 382.899 3.639 40 0 GHABRO CC1(C)CCC([N@@H+]2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585284123 570252176 /nfs/dbraw/zinc/25/21/76/570252176.db2.gz VBWVZJDOTCOBHU-FQEVSTJZSA-N 1 0 385.907 3.890 40 0 GHABRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1 ZINC000585284500 570253525 /nfs/dbraw/zinc/25/35/25/570253525.db2.gz LMPMCUAFXOAARZ-HXUWFJFHSA-N 1 0 380.488 3.704 40 0 GHABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)c(OC)c1 ZINC000585289004 570256991 /nfs/dbraw/zinc/25/69/91/570256991.db2.gz MEBZZXABPOKETM-QKNQBKEWSA-N 1 0 391.895 3.808 40 0 GHABRO Cn1cncc1C[NH+]1CCC2(CC1)c1ccccc1N(c1ccsc1)C2=O ZINC000106796833 570307390 /nfs/dbraw/zinc/30/73/90/570307390.db2.gz FAPGVTNEAJDBOK-UHFFFAOYSA-N 1 0 378.501 3.694 40 0 GHABRO C[N@@H+]1CCN(C(=O)CCCc2ccccc2)C[C@@H](COCc2ccccc2)C1 ZINC000072354530 570339341 /nfs/dbraw/zinc/33/93/41/570339341.db2.gz KGXZTNAXPKEWPA-QHCPKHFHSA-N 1 0 380.532 3.616 40 0 GHABRO CC[NH+](CC)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@@H](COC)OC ZINC000004792380 570406079 /nfs/dbraw/zinc/40/60/79/570406079.db2.gz SWYKAZJQKQLLEF-FGZHOGPDSA-N 1 0 399.531 3.734 40 0 GHABRO CCOCCOc1ccc(C[N@H+](C)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000257265149 570488153 /nfs/dbraw/zinc/48/81/53/570488153.db2.gz LXMSVMQXMIZMIC-NRFANRHFSA-N 1 0 382.504 3.550 40 0 GHABRO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532955 570516628 /nfs/dbraw/zinc/51/66/28/570516628.db2.gz UWAKIXAKDZEOEJ-UHFFFAOYSA-N 1 0 386.923 3.885 40 0 GHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000224678887 570524439 /nfs/dbraw/zinc/52/44/39/570524439.db2.gz QRYCTQIURDQERH-UHFFFAOYSA-N 1 0 391.515 3.729 40 0 GHABRO O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224779775 570530267 /nfs/dbraw/zinc/53/02/67/570530267.db2.gz OZTBVIZZDJKLIT-UHFFFAOYSA-N 1 0 378.925 3.555 40 0 GHABRO O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000224779915 570530522 /nfs/dbraw/zinc/53/05/22/570530522.db2.gz ZLYUOYRQADGBIA-UHFFFAOYSA-N 1 0 396.915 3.695 40 0 GHABRO O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225014565 570543673 /nfs/dbraw/zinc/54/36/73/570543673.db2.gz DNSUPGMXONJXDU-LJQANCHMSA-N 1 0 397.494 3.513 40 0 GHABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1ccccc1OC)CCCC3 ZINC000035079582 570549074 /nfs/dbraw/zinc/54/90/74/570549074.db2.gz RYUHYOLRLQUVHQ-IBGZPJMESA-N 1 0 393.487 3.946 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000225291789 570562233 /nfs/dbraw/zinc/56/22/33/570562233.db2.gz VIKQHYJXEXIIIQ-QFIPXVFZSA-N 1 0 382.552 3.933 40 0 GHABRO COc1ccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000011715909 570580612 /nfs/dbraw/zinc/58/06/12/570580612.db2.gz HQJKWOGIKJYUAC-GOSISDBHSA-N 1 0 382.504 3.765 40 0 GHABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012116972 570611689 /nfs/dbraw/zinc/61/16/89/570611689.db2.gz ZMYGABDORCLNQI-UHFFFAOYSA-N 1 0 398.507 3.905 40 0 GHABRO COc1ccccc1-n1cccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](C)O ZINC000012118144 570612135 /nfs/dbraw/zinc/61/21/35/570612135.db2.gz HMULMWFPIVUHFO-KRWDZBQOSA-N 1 0 394.471 3.598 40 0 GHABRO O=C(NC1CC[NH+](C[C@H](c2ccccc2)C2CCCC2)CC1)C1CCOCC1 ZINC000012188814 570621759 /nfs/dbraw/zinc/62/17/59/570621759.db2.gz RJLWHKCUXHRJAD-HSZRJFAPSA-N 1 0 384.564 3.968 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CN(C(C)=O)Cc3ccccc3O2)C1 ZINC000012235568 570629663 /nfs/dbraw/zinc/62/96/63/570629663.db2.gz VQOWNOUTBHBUHD-RDPSFJRHSA-N 1 0 394.515 3.717 40 0 GHABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293696 570634137 /nfs/dbraw/zinc/63/41/37/570634137.db2.gz GOXDKFVCTRRDGZ-FCHUYYIVSA-N 1 0 397.515 3.778 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 ZINC000012329803 570644192 /nfs/dbraw/zinc/64/41/92/570644192.db2.gz FDLIAMLIJIYFHF-RBUKOAKNSA-N 1 0 391.870 3.863 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330236 570644805 /nfs/dbraw/zinc/64/48/05/570644805.db2.gz OXSDXEJQZORRNL-PKTZIBPZSA-N 1 0 393.527 3.950 40 0 GHABRO Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)cn1 ZINC000257239123 570767308 /nfs/dbraw/zinc/76/73/08/570767308.db2.gz HOAVFBOOZTYPOV-UOWZYWDASA-N 1 0 390.531 3.532 40 0 GHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 ZINC000257261163 570896079 /nfs/dbraw/zinc/89/60/79/570896079.db2.gz LGAFSCHTIDYXOA-LYHRCORUSA-N 1 0 383.511 3.989 40 0 GHABRO COc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1C ZINC000257327377 570908113 /nfs/dbraw/zinc/90/81/13/570908113.db2.gz XBCFNOYBBOKJMG-LTMIRXACSA-N 1 0 381.520 3.564 40 0 GHABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)cc1 ZINC000585104889 570933949 /nfs/dbraw/zinc/93/39/49/570933949.db2.gz VYKKWUVXVNGLPY-JOCHJYFZSA-N 1 0 393.531 3.533 40 0 GHABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063465 856410184 /nfs/dbraw/zinc/41/01/84/856410184.db2.gz LRQYBYLILKSWPH-UHFFFAOYSA-N 1 0 384.451 3.853 40 0 GHABRO COc1ccc(C[C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccnc(C)n2)cc1 ZINC000019287532 856420811 /nfs/dbraw/zinc/42/08/11/856420811.db2.gz RCPXHLIOHZPTAJ-YTFSRNRJSA-N 1 0 381.520 3.532 40 0 GHABRO Cc1nc(-c2cncnc2[C@@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)no1 ZINC000019693702 856423382 /nfs/dbraw/zinc/42/33/82/856423382.db2.gz BDUKWROOQXUPEG-MRXNPFEDSA-N 1 0 391.475 3.538 40 0 GHABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2Cc1ccc(Oc2ncccn2)cc1 ZINC000019712339 856425936 /nfs/dbraw/zinc/42/59/36/856425936.db2.gz VAWNWHAWIVGLSL-LEWJYISDSA-N 1 0 380.492 3.634 40 0 GHABRO Cc1ncc(C(=O)N2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)[N@H+]3C)c(C)n1 ZINC000019712889 856426939 /nfs/dbraw/zinc/42/69/39/856426939.db2.gz WPJBATQPLLUUMW-MZYLBHOOSA-N 1 0 392.547 3.794 40 0 GHABRO CCOc1ccc2c(c1)c(C[N@@H+]1CC[C@@]3(C)NC(=O)CCCC[C@@H]13)c(C)n2C ZINC000019713392 856427086 /nfs/dbraw/zinc/42/70/86/856427086.db2.gz TWVMACXGQAPCND-FYYLOGMGSA-N 1 0 383.536 3.909 40 0 GHABRO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000019739194 856427998 /nfs/dbraw/zinc/42/79/98/856427998.db2.gz MHCMIALISSRTFU-QHCPKHFHSA-N 1 0 392.503 3.527 40 0 GHABRO C[C@@H]1CCC[C@H]([N@@H+]2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@H]2C)C1 ZINC000252427040 871289971 /nfs/dbraw/zinc/28/99/71/871289971.db2.gz SNIZDVPEJYDTHR-GGPKGHCWSA-N 1 0 390.535 3.905 40 0 GHABRO O=C(NC1CCCCC1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707175 291134152 /nfs/dbraw/zinc/13/41/52/291134152.db2.gz OIYJBECTFSSSOH-SFHVURJKSA-N 1 0 392.463 3.601 40 0 biogenic,in-vitro GHABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000226259384 206259284 /nfs/dbraw/zinc/25/92/84/206259284.db2.gz IGRRGBPYNMVMNN-UHFFFAOYSA-N 1 0 393.318 3.970 40 0 GHABRO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](C/C(C)=C/c2ccccc2)C3)CC1 ZINC000019014432 207098999 /nfs/dbraw/zinc/09/89/99/207098999.db2.gz XIMHVEURZNBXNH-NBVRZTHBSA-N 1 0 390.531 3.664 40 0 GHABRO COc1c(C)cccc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019235980 207110140 /nfs/dbraw/zinc/11/01/40/207110140.db2.gz QLEYLKZPFOBJHV-HXUWFJFHSA-N 1 0 390.487 3.876 40 0 GHABRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)n1cnc2ccccc2c1=O ZINC000019080639 207102724 /nfs/dbraw/zinc/10/27/24/207102724.db2.gz OFJLSCOVJYXVER-QGZVFWFLSA-N 1 0 390.487 3.582 40 0 GHABRO Cc1ccccc1-c1ncc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cn1 ZINC000019237549 207111505 /nfs/dbraw/zinc/11/15/05/207111505.db2.gz KMQBMOCXFHMHFY-RUZDIDTESA-N 1 0 398.510 3.773 40 0 GHABRO c1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]CCCN3CCOCC3)c2)cc1 ZINC000019374002 207120751 /nfs/dbraw/zinc/12/07/51/207120751.db2.gz WTQLXKKUGDEKIL-UHFFFAOYSA-N 1 0 388.515 3.623 40 0 GHABRO Cn1nccc1C(=O)NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000019289196 207113748 /nfs/dbraw/zinc/11/37/48/207113748.db2.gz RVOWPUJMRRIQEU-QFIPXVFZSA-N 1 0 394.563 3.978 40 0 GHABRO O=C(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1)C1CCOCC1 ZINC000019332829 207117112 /nfs/dbraw/zinc/11/71/12/207117112.db2.gz XWYXBXWDUJDTSF-UHFFFAOYSA-N 1 0 390.955 3.769 40 0 GHABRO O=C(CCn1ccnc1-c1ccccc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019374401 207119591 /nfs/dbraw/zinc/11/95/91/207119591.db2.gz MBWILLBINFCWSR-OAQYLSRUSA-N 1 0 380.536 3.807 40 0 GHABRO c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371948 207119714 /nfs/dbraw/zinc/11/97/14/207119714.db2.gz QEBKSIYOKFGCHM-LJQANCHMSA-N 1 0 388.519 3.847 40 0 GHABRO Cc1ccsc1C[NH+]1CCN(c2ccccc2[C@@H](O)c2nccs2)CC1 ZINC000019238650 207110692 /nfs/dbraw/zinc/11/06/92/207110692.db2.gz KYKGJIFPOGZSGY-LJQANCHMSA-N 1 0 385.558 3.917 40 0 GHABRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C2CCOCC2)c2cnccc2n1 ZINC000019496371 207125480 /nfs/dbraw/zinc/12/54/80/207125480.db2.gz CTQBWMJZGHCJPP-QGZVFWFLSA-N 1 0 396.535 3.518 40 0 GHABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCC4)[nH]c(=O)c3C2)CC1 ZINC000019495975 207125510 /nfs/dbraw/zinc/12/55/10/207125510.db2.gz YZMSIZQOZDUXKP-LAGYLCCXSA-N 1 0 398.551 3.583 40 0 GHABRO CC(=O)N1CCc2nc(C3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)ncc2C1 ZINC000019453196 207121324 /nfs/dbraw/zinc/12/13/24/207121324.db2.gz IDOFEKARDAEZRE-UHFFFAOYSA-N 1 0 392.547 3.884 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@@H](c3cc(F)ccc3F)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000019555689 207132251 /nfs/dbraw/zinc/13/22/51/207132251.db2.gz RPISLIQAOTUPDY-SIKLNZKXSA-N 1 0 386.442 3.612 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c(OC)c1 ZINC000019589286 207142656 /nfs/dbraw/zinc/14/26/56/207142656.db2.gz KGSHQFYCFNFSFT-MQSCRBSSSA-N 1 0 384.495 3.905 40 0 GHABRO O=C(CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)NC1CCOCC1 ZINC000019748328 207157806 /nfs/dbraw/zinc/15/78/06/207157806.db2.gz AOQSEFKCNSEOSQ-UHFFFAOYSA-N 1 0 384.442 3.603 40 0 GHABRO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000072358390 208003688 /nfs/dbraw/zinc/00/36/88/208003688.db2.gz KHMFNGYMNOTZDX-LJQANCHMSA-N 1 0 390.462 3.761 40 0 GHABRO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000072362581 208006456 /nfs/dbraw/zinc/00/64/56/208006456.db2.gz RWANXUGWLQWSRB-QGZVFWFLSA-N 1 0 393.491 3.699 40 0 GHABRO Cc1c(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cnn1C ZINC000072376035 208009891 /nfs/dbraw/zinc/00/98/91/208009891.db2.gz AANMVEKZGARFOC-GOSISDBHSA-N 1 0 376.508 3.950 40 0 GHABRO O=S(=O)(N[C@H]1CCC12CC[NH+](Cc1ccc(F)cc1)CC2)c1ccccc1 ZINC000096051633 208255283 /nfs/dbraw/zinc/25/52/83/208255283.db2.gz AAHDCUJLLFJGGC-FQEVSTJZSA-N 1 0 388.508 3.549 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21)NC1CCC1 ZINC000096052790 208255441 /nfs/dbraw/zinc/25/54/41/208255441.db2.gz KRSRWGMQCHDBHT-FQEVSTJZSA-N 1 0 396.575 3.993 40 0 GHABRO CC(C)(C)[NH2+]C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075483 208258413 /nfs/dbraw/zinc/25/84/13/208258413.db2.gz OJASWGSLGMGZJF-GAJHUEQPSA-N 1 0 381.520 3.634 40 0 GHABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc5[nH]ccc5c4)C3)C2)n1 ZINC000096216212 208285868 /nfs/dbraw/zinc/28/58/68/208285868.db2.gz NMSZLXINRBPLBT-XMMPIXPASA-N 1 0 388.515 4.000 40 0 GHABRO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)o1 ZINC000096215904 208287132 /nfs/dbraw/zinc/28/71/32/208287132.db2.gz LVZBGWABXOXCSZ-HSZRJFAPSA-N 1 0 381.520 3.782 40 0 GHABRO C[NH2+]Cc1cc([C@H]2CC[C@H](CN(C)C(=O)Cc3ccc(C)c(C)c3)CC2)nn1C ZINC000100687635 208378228 /nfs/dbraw/zinc/37/82/28/208378228.db2.gz LSVNAUDWXKDJBM-TYKWCNGQSA-N 1 0 396.579 3.731 40 0 GHABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)s1 ZINC000306136025 209103969 /nfs/dbraw/zinc/10/39/69/209103969.db2.gz PGWWMKSKCKFEBC-RTWAWAEBSA-N 1 0 377.513 3.940 40 0 GHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1)NCc1ccco1 ZINC000015673678 208794647 /nfs/dbraw/zinc/79/46/47/208794647.db2.gz DURVEXOQNPXBPY-OALUTQOASA-N 1 0 399.535 3.865 40 0 biogenic,in-vitro GHABRO O=C(CN1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21)Nc1ccc(F)cc1 ZINC000257267843 209064572 /nfs/dbraw/zinc/06/45/72/209064572.db2.gz MIYOQLUEDKSESY-XPWALMASSA-N 1 0 395.522 3.982 40 0 GHABRO C[C@]12CCCN(C(=O)c3ccc(Cc4ccc(F)cc4)nc3)[C@H]1CCCC[NH2+]2 ZINC000257265038 209062960 /nfs/dbraw/zinc/06/29/60/209062960.db2.gz LXAOGKRNNQNKDH-GMAHTHKFSA-N 1 0 381.495 3.948 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257301095 209071679 /nfs/dbraw/zinc/07/16/79/209071679.db2.gz RWZFLMFDKWOQFZ-HSZRJFAPSA-N 1 0 399.510 3.626 40 0 GHABRO [NH3+][C@@H]1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1 ZINC000095930183 136182680 /nfs/dbraw/zinc/18/26/80/136182680.db2.gz MCUJKPPARUPFJM-YAJBTMAUSA-N 1 0 379.485 3.605 40 0 in-man GHABRO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CC[NH+](C)CC1 ZINC000226330957 136192752 /nfs/dbraw/zinc/19/27/52/136192752.db2.gz KNJBNOOGAKXZBI-UHFFFAOYSA-N 1 0 393.318 3.888 40 0 GHABRO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)cc1 ZINC000072348770 222235595 /nfs/dbraw/zinc/23/55/95/222235595.db2.gz AVACYFUFKZZGER-LJQANCHMSA-N 1 0 379.504 3.559 40 0 GHABRO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072348699 222235643 /nfs/dbraw/zinc/23/56/43/222235643.db2.gz SMOLOGPCSXIAJF-HXUWFJFHSA-N 1 0 393.531 3.949 40 0 GHABRO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](Cc3ccnc4ccccc34)C[C@@H]12 ZINC000072395850 222252526 /nfs/dbraw/zinc/25/25/26/222252526.db2.gz CDWYQZUYSWXARI-RDGATRHJSA-N 1 0 399.494 3.784 40 0 GHABRO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](CCC(C)C)C[C@H]2N(C)C3=O)c1 ZINC000514290327 560029849 /nfs/dbraw/zinc/02/98/49/560029849.db2.gz XRLCJOVKWAJRFH-GGAORHGYSA-N 1 0 394.515 3.926 40 0 biogenic,in-vitro GHABRO Cc1nc(C2CC[NH+](Cc3cccnc3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019766273 570217586 /nfs/dbraw/zinc/21/75/86/570217586.db2.gz ZNMDVBZKBDNJIQ-UHFFFAOYSA-N 1 0 387.487 3.812 40 0 GHABRO Clc1ccc2ncc(-c3cccc(C[C@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585263441 570231684 /nfs/dbraw/zinc/23/16/84/570231684.db2.gz ZIPLQFUAXNEBHW-OAHLLOKOSA-N 1 0 382.895 3.751 40 0 GHABRO CC1(C)CC[C@@H]2[C@@H](CCC[N@@H+]2CC2(O)CCN(c3ccccc3F)CC2)O1 ZINC000585284023 570252220 /nfs/dbraw/zinc/25/22/20/570252220.db2.gz GQJQRZQOIQRWKG-WOJBJXKFSA-N 1 0 376.516 3.579 40 0 GHABRO C[NH+](C)CCN(Cc1cccnc1)Cc1ccccc1OCc1ccccn1 ZINC000022931564 570379479 /nfs/dbraw/zinc/37/94/79/570379479.db2.gz KNQKDNXAQOZTNP-UHFFFAOYSA-N 1 0 376.504 3.619 40 0 GHABRO CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222908835 570430975 /nfs/dbraw/zinc/43/09/75/570430975.db2.gz WONLZGWCKMMDFA-UXHICEINSA-N 1 0 377.517 3.896 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223276595 570455215 /nfs/dbraw/zinc/45/52/15/570455215.db2.gz IEZTWTINSQGLHP-SFTDATJTSA-N 1 0 397.592 3.922 40 0 GHABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)NCC(C)C)C2 ZINC000035289801 570455439 /nfs/dbraw/zinc/45/54/39/570455439.db2.gz QXAXVXPUHLUHME-YQQQUEKLSA-N 1 0 375.582 3.701 40 0 GHABRO O=C(COc1ccc2c(c1)CCCC2)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224637497 570521914 /nfs/dbraw/zinc/52/19/14/570521914.db2.gz IWKVHKDRGHLNMT-UHFFFAOYSA-N 1 0 378.516 3.856 40 0 GHABRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cc(F)ccc2OC)cc1OC ZINC000036734417 570568543 /nfs/dbraw/zinc/56/85/43/570568543.db2.gz GIGZBXOXQFJCKF-MSOLQXFVSA-N 1 0 375.440 3.722 40 0 GHABRO COC(=O)c1cc(NC(=S)NCCC[NH+]2CCC(C)CC2)ccc1Cl ZINC000225436619 570574073 /nfs/dbraw/zinc/57/40/73/570574073.db2.gz LUZSYAGPJBPFQD-UHFFFAOYSA-N 1 0 383.945 3.535 40 0 GHABRO Cc1nccn1Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000038831790 570584617 /nfs/dbraw/zinc/58/46/17/570584617.db2.gz BGJCLWUPGVXNDK-UHFFFAOYSA-N 1 0 388.515 3.766 40 0 GHABRO O=C(C1CC1)N1CCCc2cc([C@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291531 570633387 /nfs/dbraw/zinc/63/33/87/570633387.db2.gz MYJQQIFPXGYGRN-LJQANCHMSA-N 1 0 396.453 3.684 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 ZINC000012292722 570633682 /nfs/dbraw/zinc/63/36/82/570633682.db2.gz PCXVPJDVCBCGEO-OALUTQOASA-N 1 0 391.870 3.863 40 0 GHABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012293730 570634469 /nfs/dbraw/zinc/63/44/69/570634469.db2.gz WAINOKZUJMAMQA-PMACEKPBSA-N 1 0 389.442 3.657 40 0 GHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000012362859 570646280 /nfs/dbraw/zinc/64/62/80/570646280.db2.gz GAIRHVNEJHDYFO-INIZCTEOSA-N 1 0 377.941 3.997 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)cc1 ZINC000012408171 570654918 /nfs/dbraw/zinc/65/49/18/570654918.db2.gz DWROQQOWBDCFDS-PKOBYXMFSA-N 1 0 387.549 3.877 40 0 GHABRO COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1OC ZINC000053536285 570675005 /nfs/dbraw/zinc/67/50/05/570675005.db2.gz NXNRBPIRGLXTCF-QGZVFWFLSA-N 1 0 381.476 3.761 40 0 GHABRO CCCCC[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007261292 570757234 /nfs/dbraw/zinc/75/72/34/570757234.db2.gz SCNLXTDFNZUYFT-UHFFFAOYSA-N 1 0 395.507 3.838 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)cn1 ZINC000257226444 570764115 /nfs/dbraw/zinc/76/41/15/570764115.db2.gz FKPXTENIBHIVIH-PZJWPPBQSA-N 1 0 380.488 3.991 40 0 GHABRO CCN1C(=O)CC[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(C)cc1 ZINC000257235858 570766340 /nfs/dbraw/zinc/76/63/40/570766340.db2.gz GZVRVCZRPQEZMD-GGAORHGYSA-N 1 0 399.579 3.531 40 0 GHABRO CC1(C)[C@H]2C[C@@H]1C(C[N@@H+]1CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C1)=CC2 ZINC000072341393 570881064 /nfs/dbraw/zinc/88/10/64/570881064.db2.gz NDJIUGRAAGKUEC-OBVSXPTNSA-N 1 0 391.510 3.973 40 0 GHABRO Fc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019347819 570925148 /nfs/dbraw/zinc/92/51/48/570925148.db2.gz LRGABEBUMZHZBE-OAQYLSRUSA-N 1 0 398.530 3.577 40 0 GHABRO Cc1ncc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099821 570925811 /nfs/dbraw/zinc/92/58/11/570925811.db2.gz CXXBJXFPLIGIFK-FQEVSTJZSA-N 1 0 388.537 3.604 40 0 GHABRO CCN(C(=O)c1ccc(C)nc1)[C@H]1CCO[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019712018 856426156 /nfs/dbraw/zinc/42/61/56/856426156.db2.gz CBJSSYMYVCZRBF-FCHUYYIVSA-N 1 0 381.520 3.834 40 0 GHABRO COc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCCCN3C(C)=O)ccc1OC1CCCC1 ZINC000019712473 856426277 /nfs/dbraw/zinc/42/62/77/856426277.db2.gz QUAWEHBGENPDMT-NHCUHLMSSA-N 1 0 386.536 3.992 40 0 GHABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cnn3cccnc23)cc1 ZINC000248126644 870294652 /nfs/dbraw/zinc/29/46/52/870294652.db2.gz LXRSIIATOJFJAP-SJLPKXTDSA-N 1 0 377.492 3.502 40 0 GHABRO COc1ccc2nc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)ccc2c1 ZINC000019563661 210264088 /nfs/dbraw/zinc/26/40/88/210264088.db2.gz MTCQNXWQBVCNSH-VXMMSVGHSA-N 1 0 389.499 3.758 40 0 GHABRO CCn1ncc(-c2cc(C(=O)N3CCCC[C@H]3C[NH+]3CCCCCC3)no2)c1C ZINC000019524038 210257132 /nfs/dbraw/zinc/25/71/32/210257132.db2.gz SSAHAQWMQQDMLG-SFHVURJKSA-N 1 0 399.539 3.737 40 0 GHABRO CCc1oc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)cc1C[NH+]1CCCC1 ZINC000019521492 210255271 /nfs/dbraw/zinc/25/52/71/210255271.db2.gz HTODLJVHTQBKTN-QFIPXVFZSA-N 1 0 382.504 3.824 40 0 GHABRO CNc1ncc(CN(Cc2ccccc2OC)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461021 210251051 /nfs/dbraw/zinc/25/10/51/210251051.db2.gz LNTLEPWLWOYNLB-UHFFFAOYSA-N 1 0 397.567 3.838 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1)c1cccs1 ZINC000019400761 210247548 /nfs/dbraw/zinc/24/75/48/210247548.db2.gz OGCHUPSANHBIES-WIYYLYMNSA-N 1 0 392.528 3.921 40 0 GHABRO O=C1CCCN1CCC[NH2+]Cc1cc(-c2ccccc2)cnc1-c1ccncc1 ZINC000019374000 210246374 /nfs/dbraw/zinc/24/63/74/210246374.db2.gz QCBOOVRFTWDQSW-UHFFFAOYSA-N 1 0 386.499 3.913 40 0 GHABRO Cc1nn(-c2ccccc2C)c(C)c1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000019237580 210235921 /nfs/dbraw/zinc/23/59/21/210235921.db2.gz DUDFWOXEBUYBFR-UHFFFAOYSA-N 1 0 377.536 3.756 40 0 GHABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293746 209929689 /nfs/dbraw/zinc/92/96/89/209929689.db2.gz OKEGUWIUESQILP-RTWAWAEBSA-N 1 0 385.479 3.827 40 0 GHABRO O=C(C1CC1)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291528 209930413 /nfs/dbraw/zinc/93/04/13/209930413.db2.gz MYJQQIFPXGYGRN-IBGZPJMESA-N 1 0 396.453 3.684 40 0 GHABRO C[C@H](CCc1ccccc1)NC(=O)Cn1cccc2cc(C3CC[NH2+]CC3)nc1-2 ZINC000012220693 209923395 /nfs/dbraw/zinc/92/33/95/209923395.db2.gz VUMQPUYAVXXSNW-GOSISDBHSA-N 1 0 390.531 3.592 40 0 GHABRO CN(CCC[NH+]1CCCCC1)C(=O)c1ccc2c(c1)nnn2C1CCCCC1 ZINC000012206126 209921654 /nfs/dbraw/zinc/92/16/54/209921654.db2.gz ZRFYXPZDSFBKTG-UHFFFAOYSA-N 1 0 383.540 3.885 40 0 GHABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 ZINC000306134856 212051022 /nfs/dbraw/zinc/05/10/22/212051022.db2.gz NZXAOSXIHIAFHP-KRWDZBQOSA-N 1 0 378.505 3.571 40 0 GHABRO CN1CC2(CC[NH+](Cc3cccs3)CC2)c2nn(-c3ccccc3)cc2C1=O ZINC000306132931 212049715 /nfs/dbraw/zinc/04/97/15/212049715.db2.gz LWQVWGDDWJHXII-UHFFFAOYSA-N 1 0 392.528 3.553 40 0 GHABRO CC(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@H]3[NH+]3CCCC3)C2)c1O ZINC000306124317 212044908 /nfs/dbraw/zinc/04/49/08/212044908.db2.gz BMOWRXCBCTWGEJ-NFBKMPQASA-N 1 0 386.536 3.765 40 0 GHABRO Cc1noc(C)c1-c1nc([C@H]2CCC[N@H+](Cc3ncccc3F)C2)ccc1CO ZINC000257297009 212020428 /nfs/dbraw/zinc/02/04/28/212020428.db2.gz RFJNBBLPOACTDA-INIZCTEOSA-N 1 0 396.466 3.759 40 0 GHABRO CN(C)C(=O)c1sc2nc([C@@H]3CCC[N@@H+]3CCc3ccccc3)ccc2c1N ZINC000257270271 212014361 /nfs/dbraw/zinc/01/43/61/212014361.db2.gz MTLVXALYXKZASQ-SFHVURJKSA-N 1 0 394.544 3.960 40 0 GHABRO Cc1noc(C)c1-c1cccc(C2CCN(C(=O)C3(C)CC[NH+](C)CC3)CC2)n1 ZINC000257261680 212012215 /nfs/dbraw/zinc/01/22/15/212012215.db2.gz LIJUBVBISPLDOA-UHFFFAOYSA-N 1 0 396.535 3.791 40 0 GHABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1ccc(Cc2ccccc2F)nc1 ZINC000257249148 212010923 /nfs/dbraw/zinc/01/09/23/212010923.db2.gz JGZXVSOTVGTXFK-AYEXWZOKSA-N 1 0 393.506 3.947 40 0 GHABRO C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257213691 212004101 /nfs/dbraw/zinc/00/41/01/212004101.db2.gz CIRAKSMSJMZEJJ-QHCPKHFHSA-N 1 0 399.510 3.771 40 0 GHABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)COC(C)C)C3)c2)c1 ZINC000257211176 212003459 /nfs/dbraw/zinc/00/34/59/212003459.db2.gz BXTWUPJULDHBOT-KRWDZBQOSA-N 1 0 383.492 3.883 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)n1 ZINC000329015330 209156633 /nfs/dbraw/zinc/15/66/33/209156633.db2.gz NAGKJKDNUKRBEM-UHFFFAOYSA-N 1 0 380.323 3.612 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[NH2+]CC2=CCCOC2)CC1 ZINC000100688388 211389375 /nfs/dbraw/zinc/38/93/75/211389375.db2.gz NUWIPJZIJRKMST-FZNQNYSPSA-N 1 0 385.533 3.605 40 0 GHABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ccnn1C ZINC000072370754 211103745 /nfs/dbraw/zinc/10/37/45/211103745.db2.gz TUUNAPKIXBXTPQ-MRXNPFEDSA-N 1 0 396.560 3.982 40 0 GHABRO CCN(CC)C(=O)CN1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372475 211103506 /nfs/dbraw/zinc/10/35/06/211103506.db2.gz MQRWEZXPHUOSEE-FQEVSTJZSA-N 1 0 396.539 3.546 40 0 GHABRO Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@@H]4CCC[NH2+]C4)C3)cc2)c1 ZINC000072372137 211102131 /nfs/dbraw/zinc/10/21/31/211102131.db2.gz AGPRSMFCMDUDOG-HXUWFJFHSA-N 1 0 391.494 3.567 40 0 GHABRO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cnc(C)s4)C3)[nH]n2)cc1 ZINC000072371794 211102179 /nfs/dbraw/zinc/10/21/79/211102179.db2.gz GNVDWOXSRZLYPJ-MRXNPFEDSA-N 1 0 398.532 3.794 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)CC1 ZINC000072359209 211101431 /nfs/dbraw/zinc/10/14/31/211101431.db2.gz LBUHBBZFLJOZAO-SFHVURJKSA-N 1 0 398.938 3.845 40 0 GHABRO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCCCC1 ZINC000072358522 211098053 /nfs/dbraw/zinc/09/80/53/211098053.db2.gz ORRLRJCKHVZSJB-SFHVURJKSA-N 1 0 398.938 3.989 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072352553 211097834 /nfs/dbraw/zinc/09/78/34/211097834.db2.gz IZYLCPYCVLQAKU-OAHLLOKOSA-N 1 0 388.496 3.933 40 0 GHABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)no1 ZINC000072351298 211097732 /nfs/dbraw/zinc/09/77/32/211097732.db2.gz NNDAXXMGKOVQKN-GOSISDBHSA-N 1 0 397.519 3.996 40 0 GHABRO O=C(NCCO)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072352382 211097623 /nfs/dbraw/zinc/09/76/23/211097623.db2.gz RWVOSAXBNXEMHH-MRXNPFEDSA-N 1 0 398.503 3.752 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CC1 ZINC000072350392 211097262 /nfs/dbraw/zinc/09/72/62/211097262.db2.gz CPUYRIUGWRJGPF-UHFFFAOYSA-N 1 0 377.532 3.720 40 0 GHABRO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)n1 ZINC000072350191 211097034 /nfs/dbraw/zinc/09/70/34/211097034.db2.gz KNYNSKIRDUYSAR-IBGZPJMESA-N 1 0 393.531 3.948 40 0 GHABRO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](C4CCN(C(C)=O)CC4)C3)n2)c1 ZINC000072350194 211097074 /nfs/dbraw/zinc/09/70/74/211097074.db2.gz CRDMEEBHLQTGJH-HXUWFJFHSA-N 1 0 393.531 3.948 40 0 GHABRO Cc1nn(C)cc1NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748831 210294018 /nfs/dbraw/zinc/29/40/18/210294018.db2.gz SZWZSPIWNKNXSP-UHFFFAOYSA-N 1 0 394.441 3.988 40 0 GHABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019756302 210294082 /nfs/dbraw/zinc/29/40/82/210294082.db2.gz JSXBYIGQLIUZII-UHFFFAOYSA-N 1 0 396.535 3.878 40 0 GHABRO Cc1nn(C)cc1-c1cc(C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)n[nH]1 ZINC000019718741 210289580 /nfs/dbraw/zinc/28/95/80/210289580.db2.gz CWNOMJWGWPWXSX-OAHLLOKOSA-N 1 0 392.507 3.745 40 0 GHABRO COc1ccc(C[NH+]2CCC(n3nc(C)cc3C)CC2)cc1Cn1ccnc1C ZINC000019656816 210278435 /nfs/dbraw/zinc/27/84/35/210278435.db2.gz NZDRXBMQIMVURP-UHFFFAOYSA-N 1 0 393.535 3.899 40 0 GHABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2cn(C)c3ccccc23)n1 ZINC000019573775 210268575 /nfs/dbraw/zinc/26/85/75/210268575.db2.gz RHXNMXQTEQIVAK-FQEVSTJZSA-N 1 0 392.503 3.648 40 0 GHABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cnn3cccnc23)cc1 ZINC000012182141 221163072 /nfs/dbraw/zinc/16/30/72/221163072.db2.gz LXRSIIATOJFJAP-AEFFLSMTSA-N 1 0 377.492 3.502 40 0 GHABRO CC1=C[C@@H](CNC(=O)C[NH+](C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 ZINC000072320802 560077288 /nfs/dbraw/zinc/07/72/88/560077288.db2.gz XGLILAULCYYTFS-FHWLQOOXSA-N 1 0 382.552 3.638 40 0 biogenic,in-vitro GHABRO O[C@H]1CC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585283637 570251879 /nfs/dbraw/zinc/25/18/79/570251879.db2.gz STAHPYYBEOSWOD-OHCFRWENSA-N 1 0 399.506 3.729 40 0 GHABRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1 ZINC000585284498 570253482 /nfs/dbraw/zinc/25/34/82/570253482.db2.gz LMPMCUAFXOAARZ-FQEVSTJZSA-N 1 0 380.488 3.704 40 0 GHABRO Cc1ccc(C)c(OC[C@@]2(O)C[N@@H+](C3CCC(C)(C)CC3)CC[C@@H]2O)c1C ZINC000585285234 570254159 /nfs/dbraw/zinc/25/41/59/570254159.db2.gz DCDZJZRLNAICGG-REWPJTCUSA-N 1 0 375.553 3.757 40 0 GHABRO COc1cccc(CC[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)c1 ZINC000585289325 570257317 /nfs/dbraw/zinc/25/73/17/570257317.db2.gz HZENRQCCBFEIGY-PWRODBHTSA-N 1 0 375.896 3.842 40 0 GHABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCN2CCOCC2)cc1 ZINC000023263561 570353348 /nfs/dbraw/zinc/35/33/48/570353348.db2.gz XSZQARMGZYOASU-UHFFFAOYSA-N 1 0 395.330 3.994 40 0 GHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)c1 ZINC000219407912 570359277 /nfs/dbraw/zinc/35/92/77/570359277.db2.gz YBOOWFLCBVLXMD-UHFFFAOYSA-N 1 0 379.548 3.850 40 0 GHABRO Cc1c(/C=C/C2=[NH+]c3ccccc3[C@@H](O)N2CCCO)c2ccccc2n1C ZINC000005042781 570425504 /nfs/dbraw/zinc/42/55/04/570425504.db2.gz NHGBQRAMMNBYIA-MDRMPYQZSA-N 1 0 375.472 3.919 40 0 GHABRO Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224704774 570526197 /nfs/dbraw/zinc/52/61/97/570526197.db2.gz RLMOPLUPWFAHHQ-UHFFFAOYSA-N 1 0 376.497 3.599 40 0 GHABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1ccc(OC)cc1)CCCC3 ZINC000035079586 570549171 /nfs/dbraw/zinc/54/91/71/570549171.db2.gz ZNRGREFWBCWZAU-IBGZPJMESA-N 1 0 393.487 3.946 40 0 GHABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038834476 570585723 /nfs/dbraw/zinc/58/57/23/570585723.db2.gz XCVIROQOAVCCHJ-GOSISDBHSA-N 1 0 384.451 3.853 40 0 GHABRO COc1ccc(CCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000038849002 570587171 /nfs/dbraw/zinc/58/71/71/570587171.db2.gz QTFWAEWAQQHWIP-SFHVURJKSA-N 1 0 396.531 3.908 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC000012116990 570611340 /nfs/dbraw/zinc/61/13/40/570611340.db2.gz BHYQBIJHPKTEHU-UHFFFAOYSA-N 1 0 377.488 3.673 40 0 GHABRO COC(=O)Cn1cc(C[NH+]2CCC(O)(c3cccc(C)c3)CC2)c2ccccc21 ZINC000012328207 570643541 /nfs/dbraw/zinc/64/35/41/570643541.db2.gz AKEAVGOWWZGZCD-UHFFFAOYSA-N 1 0 392.499 3.606 40 0 GHABRO Cc1ccccc1C1(O)CCN(C(=O)c2ccccc2C[NH+]2CCCC2)CC1 ZINC000012361730 570646247 /nfs/dbraw/zinc/64/62/47/570646247.db2.gz PGEMRXBMKDMZEJ-UHFFFAOYSA-N 1 0 378.516 3.715 40 0 GHABRO Fc1ccc(-c2cnc(Nc3ccc(C[C@@H]4C[NH2+]CCOC4)cn3)s2)cc1 ZINC000585262798 570715606 /nfs/dbraw/zinc/71/56/06/570715606.db2.gz GUBJKJHQPQGEOV-OAHLLOKOSA-N 1 0 384.480 3.866 40 0 GHABRO CC(C)C[C@@H](O)C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100801 570928162 /nfs/dbraw/zinc/92/81/62/570928162.db2.gz WYQOAOGINDSTOL-IRLDBZIGSA-N 1 0 376.516 3.580 40 0 GHABRO Cc1nc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)s1 ZINC000585103683 570929106 /nfs/dbraw/zinc/92/91/06/570929106.db2.gz FHFOLQGTXVVVGM-VGSWGCGISA-N 1 0 399.560 3.572 40 0 GHABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000585103015 570931751 /nfs/dbraw/zinc/93/17/51/570931751.db2.gz KXKUWWGNCDYQCC-LJQANCHMSA-N 1 0 376.566 3.544 40 0 GHABRO C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585104674 570933414 /nfs/dbraw/zinc/93/34/14/570933414.db2.gz QPIQQQQCQBSKIA-WZONZLPQSA-N 1 0 382.479 3.638 40 0 GHABRO Cc1ccccc1C[N@H+]1CCOC[C@@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104819 570934169 /nfs/dbraw/zinc/93/41/69/570934169.db2.gz ULILCLOYLJCCFZ-YKSBVNFPSA-N 1 0 378.516 3.807 40 0 GHABRO Cc1c(C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)sc2[nH]cnc(=O)c12 ZINC000019717817 571040745 /nfs/dbraw/zinc/04/07/45/571040745.db2.gz ZPLRKRXWMBVPCH-ZDUSSCGKSA-N 1 0 396.516 3.920 40 0 GHABRO O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503259 575369846 /nfs/dbraw/zinc/36/98/46/575369846.db2.gz GXYIMLLIDNLZTJ-PKOBYXMFSA-N 1 0 375.447 3.669 40 0 biogenic,in-vitro GHABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000012089235 856418623 /nfs/dbraw/zinc/41/86/23/856418623.db2.gz FRVOJLFGVAITKY-RTBURBONSA-N 1 0 384.549 3.798 40 0 GHABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000012119213 856418672 /nfs/dbraw/zinc/41/86/72/856418672.db2.gz XAGSJYHYDVUZIM-SJLPKXTDSA-N 1 0 394.471 3.839 40 0 GHABRO COc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4[C@H]3CCCCCN4C(C)=O)cn2)cc1 ZINC000019712497 856426251 /nfs/dbraw/zinc/42/62/51/856426251.db2.gz DWNDDTVPIZAMGD-YADHBBJMSA-N 1 0 394.519 3.518 40 0 GHABRO Cc1nc([C@H]2CCC[N@@H+](CC(C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765448 856428175 /nfs/dbraw/zinc/42/81/75/856428175.db2.gz OCYHNRZTNUBPCH-SFHVURJKSA-N 1 0 384.499 3.690 40 0 GHABRO Cc1noc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)C[NH+]2CCCCCC2)c1C ZINC000019558432 210263511 /nfs/dbraw/zinc/26/35/11/210263511.db2.gz ZPQUVTHRTCOAER-LJQANCHMSA-N 1 0 397.523 3.596 40 0 GHABRO COc1cc(CN2CC[NH+](CC3(c4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000019549838 210259789 /nfs/dbraw/zinc/25/97/89/210259789.db2.gz JDHUWIXOHOJBKF-UHFFFAOYSA-N 1 0 396.531 3.562 40 0 GHABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]21 ZINC000019405276 210249603 /nfs/dbraw/zinc/24/96/03/210249603.db2.gz WHTIOCPHDIWXOS-ACRUOGEOSA-N 1 0 381.545 3.760 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019374900 210246160 /nfs/dbraw/zinc/24/61/60/210246160.db2.gz QUDNUGSXUNYYOT-SFTDATJTSA-N 1 0 396.462 3.691 40 0 GHABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)C[C@H]2C=CCC2)CC1 ZINC000019288903 210238161 /nfs/dbraw/zinc/23/81/61/210238161.db2.gz YAPFCYBGHRXHTD-KRWDZBQOSA-N 1 0 396.510 3.663 40 0 GHABRO Cc1nccn1CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019288108 210237721 /nfs/dbraw/zinc/23/77/21/210237721.db2.gz WPOFDQKEKQZMCO-ZDXQCDESSA-N 1 0 394.563 3.841 40 0 GHABRO CC[NH+]1CCN(c2ccc(NCc3cc4ccc(C)c(C)c4[nH]c3=O)cc2)CC1 ZINC000012088338 209908192 /nfs/dbraw/zinc/90/81/92/209908192.db2.gz FVDICNLAECYHBL-UHFFFAOYSA-N 1 0 390.531 3.899 40 0 GHABRO COc1cc(C(=O)Oc2cccc(C[NH+]3CCCCC3)c2)cc(OC)c1OC ZINC000001622050 209333890 /nfs/dbraw/zinc/33/38/90/209333890.db2.gz VNBFYOCQSJFSSA-UHFFFAOYSA-N 1 0 385.460 3.918 40 0 GHABRO C[NH+](C)CCn1ccc(-c2nc(C(=O)NC3CCCCCC3)c3ccccn32)c1 ZINC000306139381 212053632 /nfs/dbraw/zinc/05/36/32/212053632.db2.gz SVULDLHKVHECAW-UHFFFAOYSA-N 1 0 393.535 3.817 40 0 GHABRO CCCc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)cc1 ZINC000306136452 212051789 /nfs/dbraw/zinc/05/17/89/212051789.db2.gz PUAWSDIXQLUCEF-QHCPKHFHSA-N 1 0 378.520 3.677 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 ZINC000306130655 212049792 /nfs/dbraw/zinc/04/97/92/212049792.db2.gz JMHUQNWDQOTQOP-IBGZPJMESA-N 1 0 391.519 3.718 40 0 GHABRO c1nc2n(c1-c1cccnc1)CC1(C2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000306130224 212047814 /nfs/dbraw/zinc/04/78/14/212047814.db2.gz IZLKCAXSBUQGEH-UHFFFAOYSA-N 1 0 388.471 3.512 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 ZINC000306123515 212045763 /nfs/dbraw/zinc/04/57/63/212045763.db2.gz APDWXVPDKRSAJI-PKTZIBPZSA-N 1 0 387.483 3.578 40 0 GHABRO CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)C[NH+]1CCCCCC1 ZINC000257277974 212016956 /nfs/dbraw/zinc/01/69/56/212016956.db2.gz OAFFBCSYYGXLGE-RJGXRXQPSA-N 1 0 397.563 3.606 40 0 GHABRO Cc1noc(C)c1-c1cc(C2CCN(C(=O)C3(C)CC[NH+](C)CC3)CC2)ccn1 ZINC000257242426 212009298 /nfs/dbraw/zinc/00/92/98/212009298.db2.gz ICKWUXIQTSSDIS-UHFFFAOYSA-N 1 0 396.535 3.791 40 0 GHABRO C[C@]12CCCN(C(=O)c3ccc(Cc4cccc(F)c4)nc3)[C@H]1CCCC[NH2+]2 ZINC000257241694 212008062 /nfs/dbraw/zinc/00/80/62/212008062.db2.gz HZDVVCWQHNMJFC-GMAHTHKFSA-N 1 0 381.495 3.948 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@@]3(C2)CC=CCN(CCc2ccccc2)C3=O)cn1 ZINC000257230519 212006768 /nfs/dbraw/zinc/00/67/68/212006768.db2.gz GCSFBPPYOFTEGH-XMMPIXPASA-N 1 0 392.547 3.516 40 0 GHABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccccc2F)c1 ZINC000257219256 212005102 /nfs/dbraw/zinc/00/51/02/212005102.db2.gz DGDYDLGKWOKZJO-UHFFFAOYSA-N 1 0 377.463 3.922 40 0 GHABRO COc1ccc(CNC(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)cc1 ZINC000257206813 212003209 /nfs/dbraw/zinc/00/32/09/212003209.db2.gz BEYXYISFZOMVKJ-UHFFFAOYSA-N 1 0 375.472 3.749 40 0 GHABRO O[C@@]1(c2ccc(Cl)cc2)C[N+](c2ccc3c(c2)OCCO3)=C2CCCCCN21 ZINC000027525292 211854461 /nfs/dbraw/zinc/85/44/61/211854461.db2.gz ZFSFIXSEIBBZPZ-JOCHJYFZSA-N 1 0 399.898 3.762 40 0 GHABRO CCOc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000100749987 211390938 /nfs/dbraw/zinc/39/09/38/211390938.db2.gz ZPZSEXJIEPZFSB-YYDVJCTNSA-N 1 0 381.520 3.645 40 0 GHABRO Cc1nc(CN2CC[C@]3(C2)C[N@H+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239787 211323143 /nfs/dbraw/zinc/32/31/43/211323143.db2.gz LLECEMKWEQJHRL-GOSISDBHSA-N 1 0 378.492 3.580 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052793 211296242 /nfs/dbraw/zinc/29/62/42/211296242.db2.gz CORUXRWWKZHZSR-LJQANCHMSA-N 1 0 394.515 3.550 40 0 GHABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000096037036 211295828 /nfs/dbraw/zinc/29/58/28/211295828.db2.gz ILIIXUKKVICCAZ-UHFFFAOYSA-N 1 0 387.531 3.772 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CC1 ZINC000072398564 211112465 /nfs/dbraw/zinc/11/24/65/211112465.db2.gz UXKVFKQCAIBIIK-UTKZUKDTSA-N 1 0 385.458 3.839 40 0 GHABRO COc1ccc(C[N@H+]2C[C@@H](c3cn(C)c4ccc(OC)cc34)[C@H](N(C)C)C2)cc1 ZINC000072395534 211109701 /nfs/dbraw/zinc/10/97/01/211109701.db2.gz KQGBJEMHMPFKIK-LADGPHEKSA-N 1 0 393.531 3.725 40 0 GHABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)on1 ZINC000072395063 211109365 /nfs/dbraw/zinc/10/93/65/211109365.db2.gz UWJGZVWRVJDJDQ-FYYLOGMGSA-N 1 0 377.488 3.946 40 0 GHABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](CCOc3ccccc3)C2)no1 ZINC000072351297 211097693 /nfs/dbraw/zinc/09/76/93/211097693.db2.gz NNDAXXMGKOVQKN-SFHVURJKSA-N 1 0 397.519 3.996 40 0 GHABRO C[NH+](C)CCC[C@@](O)(c1ccc(F)cc1)c1ccc(Br)cc1CO ZINC000021986077 210401690 /nfs/dbraw/zinc/40/16/90/210401690.db2.gz FIXQPYBPVRAVND-LJQANCHMSA-N 1 0 396.300 3.658 40 0 GHABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000020462448 210338323 /nfs/dbraw/zinc/33/83/23/210338323.db2.gz SRKFJSQXMCMQOO-UHFFFAOYSA-N 1 0 379.504 3.903 40 0 GHABRO CCN(CC)C(=O)C[NH+]1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1 ZINC000019687331 210280868 /nfs/dbraw/zinc/28/08/68/210280868.db2.gz ZWFXQTYWCRDPMW-UHFFFAOYSA-N 1 0 383.511 3.859 40 0 GHABRO COc1ccc(C[NH+]2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)c(C)c1C ZINC000019577308 210268360 /nfs/dbraw/zinc/26/83/60/210268360.db2.gz CWYVEXGMYWEFRO-HSZRJFAPSA-N 1 0 381.520 3.796 40 0 GHABRO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccs2)C1 ZINC000019591773 210274516 /nfs/dbraw/zinc/27/45/16/210274516.db2.gz OWLBKHYDUPMFMJ-QHCPKHFHSA-N 1 0 391.540 3.991 40 0 GHABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113950504 535818172 /nfs/dbraw/zinc/81/81/72/535818172.db2.gz HIJFJUJNBZSLJM-HXUWFJFHSA-N 1 0 387.911 3.888 40 0 GHABRO Fc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015675518 560095706 /nfs/dbraw/zinc/09/57/06/560095706.db2.gz DPOHSTAAASXCFE-IBGZPJMESA-N 1 0 375.407 3.898 40 0 biogenic,in-vitro GHABRO CCC[N@@H+]1CCCC[C@@H]1c1nc(C)ncc1C(=O)NCc1ccc(OC)cc1 ZINC000019766529 570217759 /nfs/dbraw/zinc/21/77/59/570217759.db2.gz QJYLNIPXFVNFBZ-HXUWFJFHSA-N 1 0 382.508 3.661 40 0 GHABRO CN1CC[NH2+]C[C@H](Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)C1 ZINC000585263241 570231611 /nfs/dbraw/zinc/23/16/11/570231611.db2.gz ROJPMGWDQTVWAH-KRWDZBQOSA-N 1 0 379.533 3.642 40 0 GHABRO CC1(C)CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585284130 570249992 /nfs/dbraw/zinc/24/99/92/570249992.db2.gz VBWVZJDOTCOBHU-HXUWFJFHSA-N 1 0 385.907 3.890 40 0 GHABRO CC(=O)N1CCCC[C@H]2C[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@H]21 ZINC000585284046 570252170 /nfs/dbraw/zinc/25/21/70/570252170.db2.gz QVMKPDXVLKYYIF-CJRSTVEYSA-N 1 0 384.564 3.798 40 0 GHABRO COc1ccccc1CC[NH2+][C@H]1CCCN(C(C)=O)[C@H]1Cc1cccc(C)c1 ZINC000585287008 570256113 /nfs/dbraw/zinc/25/61/13/570256113.db2.gz ZKJBIRLBVCBHAS-GOTSBHOMSA-N 1 0 380.532 3.758 40 0 GHABRO CC[NH+](CC)CCn1c2ccccc2nc1-n1c(=O)c2ccccc2[nH]c1=S ZINC000006869565 570294638 /nfs/dbraw/zinc/29/46/38/570294638.db2.gz IWZQBWKOHHVFRQ-UHFFFAOYSA-N 1 0 393.516 3.740 40 0 GHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2)C1 ZINC000219240956 570350303 /nfs/dbraw/zinc/35/03/03/570350303.db2.gz ZZPOFQMKZQSGLC-OAHLLOKOSA-N 1 0 396.516 3.960 40 0 GHABRO Cc1ccc(Cl)cc1N1CCN([C@H](c2nnnn2C(C)(C)C)C(C)C)CC1 ZINC000057669706 570367239 /nfs/dbraw/zinc/36/72/39/570367239.db2.gz WOQNZXZCMDLGIZ-SFHVURJKSA-N 1 0 390.963 3.909 40 0 GHABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000222717458 570422217 /nfs/dbraw/zinc/42/22/17/570422217.db2.gz UWLIPSNJFACVHB-INIZCTEOSA-N 1 0 398.478 3.686 40 0 GHABRO Cc1cc(C)cc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224106400 570499140 /nfs/dbraw/zinc/49/91/40/570499140.db2.gz BDLPSAYGNNUGME-HXUWFJFHSA-N 1 0 384.495 3.850 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C(=O)OC)ccc1C ZINC000225581965 570590858 /nfs/dbraw/zinc/59/08/58/570590858.db2.gz HCQZEDCDZCRIDJ-QGZVFWFLSA-N 1 0 377.554 3.723 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(N2CCCC2=O)c1 ZINC000225584585 570591355 /nfs/dbraw/zinc/59/13/55/570591355.db2.gz IEWKDNKPYXOCTB-GOSISDBHSA-N 1 0 388.581 3.754 40 0 GHABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3c(F)cccc3F)cc2)CC1 ZINC000225772938 570615762 /nfs/dbraw/zinc/61/57/62/570615762.db2.gz TUUKKYGKLPEADS-UHFFFAOYSA-N 1 0 391.487 3.924 40 0 GHABRO COc1ccc2cnc(C3CC[NH+](CC(=O)C4CCOCC4)CC3)cc2c1C ZINC000012188160 570621750 /nfs/dbraw/zinc/62/17/50/570621750.db2.gz LETOZLVFDPCMAI-UHFFFAOYSA-N 1 0 382.504 3.727 40 0 GHABRO CC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CC=C(c4ccccc4)CC3)ccc21 ZINC000012291296 570633299 /nfs/dbraw/zinc/63/32/99/570633299.db2.gz TWBVHBJETUHIBZ-DEOSSOPVSA-N 1 0 376.500 3.808 40 0 GHABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000012293069 570633746 /nfs/dbraw/zinc/63/37/46/570633746.db2.gz XYJJCAFVXLVZMO-MRXNPFEDSA-N 1 0 382.479 3.777 40 0 GHABRO COc1ccccc1OCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260846277 570710320 /nfs/dbraw/zinc/71/03/20/570710320.db2.gz JXOMGCYUPBYBPW-SFHVURJKSA-N 1 0 382.504 3.736 40 0 GHABRO Cc1ccccc1C[N@H+]1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104816 570933752 /nfs/dbraw/zinc/93/37/52/570933752.db2.gz ULILCLOYLJCCFZ-GBXCKJPGSA-N 1 0 378.516 3.807 40 0 GHABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCC[N@@H+](C(C)C)C1 ZINC000019529967 856420763 /nfs/dbraw/zinc/42/07/63/856420763.db2.gz UXGLKXVVYVXPLK-IERDGZPVSA-N 1 0 376.472 3.763 40 0 GHABRO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCC[N@@H+](C(C)C)C1 ZINC000019529965 856421745 /nfs/dbraw/zinc/42/17/45/856421745.db2.gz UXGLKXVVYVXPLK-IIBYNOLFSA-N 1 0 376.472 3.763 40 0 GHABRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019565231 210264898 /nfs/dbraw/zinc/26/48/98/210264898.db2.gz AYRHASJNQBFAIH-FQEVSTJZSA-N 1 0 376.460 3.980 40 0 GHABRO CCOC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CC[NH+](CC2CC2)CC1 ZINC000019530191 210258608 /nfs/dbraw/zinc/25/86/08/210258608.db2.gz YFQABOLDNNXYNL-LJQANCHMSA-N 1 0 388.483 3.764 40 0 GHABRO CCc1nccn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019523645 210256308 /nfs/dbraw/zinc/25/63/08/210256308.db2.gz HVLAYBRMWLFVNI-IMSXRSKXSA-N 1 0 394.563 3.705 40 0 GHABRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000039767989 230928570 /nfs/dbraw/zinc/92/85/70/230928570.db2.gz RSOBDGHGPRMKRT-UHFFFAOYSA-N 1 0 397.950 3.901 40 0 GHABRO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000019450570 210249318 /nfs/dbraw/zinc/24/93/18/210249318.db2.gz MICKLBNNBLSUCG-GOSISDBHSA-N 1 0 390.487 3.609 40 0 GHABRO O=C1CC[C@@H]([NH2+]Cc2cnn(C3CCCCC3)c2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019291888 210237015 /nfs/dbraw/zinc/23/70/15/210237015.db2.gz JSINWZUYWISEID-CTNGQTDRSA-N 1 0 388.462 3.776 40 0 GHABRO Cc1cc(C(=O)N(C[C@H]2CCCO2)C2CC[NH+](C)CC2)c2cccc(C)c2n1 ZINC000019236710 210233144 /nfs/dbraw/zinc/23/31/44/210233144.db2.gz QHANOPUWDFPWRQ-LJQANCHMSA-N 1 0 381.520 3.567 40 0 GHABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2N)CC1 ZINC000226263562 209187414 /nfs/dbraw/zinc/18/74/14/209187414.db2.gz CAQFCXQDXZUBFS-UHFFFAOYSA-N 1 0 379.291 3.580 40 0 GHABRO Cc1cccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)c1 ZINC000306139434 212053814 /nfs/dbraw/zinc/05/38/14/212053814.db2.gz SXAWJZDCXLWSGF-UHFFFAOYSA-N 1 0 392.547 3.702 40 0 GHABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ccccc21 ZINC000306125258 212044006 /nfs/dbraw/zinc/04/40/06/212044006.db2.gz CKQWNXZCUFSWJO-QFIPXVFZSA-N 1 0 377.488 3.686 40 0 GHABRO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@H+](CCC(C)(C)C)CCO2 ZINC000306127657 212046309 /nfs/dbraw/zinc/04/63/09/212046309.db2.gz GEFSAOIXOFACBJ-JXFKEZNVSA-N 1 0 379.570 3.631 40 0 GHABRO CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000306126951 212045716 /nfs/dbraw/zinc/04/57/16/212045716.db2.gz FJUWJGBHQXCHQL-UHFFFAOYSA-N 1 0 397.523 3.582 40 0 GHABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ccccc21 ZINC000306125257 212045592 /nfs/dbraw/zinc/04/55/92/212045592.db2.gz CKQWNXZCUFSWJO-JOCHJYFZSA-N 1 0 377.488 3.686 40 0 GHABRO Cn1ccnc1C(=O)N1CCCCC[C@@H]2[N@H+](C)[C@H](Cc3ccccc3)C[C@@]21C ZINC000257337343 212027798 /nfs/dbraw/zinc/02/77/98/212027798.db2.gz YSLBMHHSQNDWNN-QTEQDKRBSA-N 1 0 380.536 3.510 40 0 GHABRO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257322587 212024488 /nfs/dbraw/zinc/02/44/88/212024488.db2.gz WGPIEHICQIFNIF-DEOSSOPVSA-N 1 0 393.531 3.683 40 0 GHABRO Cc1nonc1C(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257321078 212024540 /nfs/dbraw/zinc/02/45/40/212024540.db2.gz VZZUWAAAHQUKAV-OAHLLOKOSA-N 1 0 395.438 3.984 40 0 GHABRO COc1cccc(CNC(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)c1 ZINC000257288681 212018534 /nfs/dbraw/zinc/01/85/34/212018534.db2.gz PVDPCZGCDHWDSL-UHFFFAOYSA-N 1 0 375.472 3.749 40 0 GHABRO COc1ccc(CCNC(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)cc1 ZINC000257239952 212009520 /nfs/dbraw/zinc/00/95/20/212009520.db2.gz HRNAHYILELMORZ-UHFFFAOYSA-N 1 0 389.499 3.791 40 0 GHABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccc(Cc2ccc(F)cc2)nc1 ZINC000257221227 212005434 /nfs/dbraw/zinc/00/54/34/212005434.db2.gz DOAZPNANGNAOEI-HYVLGVRCSA-N 1 0 393.506 3.899 40 0 GHABRO C[C@]12CCCN(C(=O)c3ccnc(Cc4ccccc4F)c3)[C@H]1CCCC[NH2+]2 ZINC000257211000 212002713 /nfs/dbraw/zinc/00/27/13/212002713.db2.gz BXBILYGLWDWHFE-GMAHTHKFSA-N 1 0 381.495 3.948 40 0 GHABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCOCC2)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171552 211458406 /nfs/dbraw/zinc/45/84/06/211458406.db2.gz YWHLQOUBSGIMLE-SFTDATJTSA-N 1 0 395.547 3.512 40 0 biogenic,in-vitro GHABRO COc1ccc(C)cc1CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750276 211390725 /nfs/dbraw/zinc/39/07/25/211390725.db2.gz JASBZPIQGMDCNE-IXFSTUDKSA-N 1 0 381.520 3.564 40 0 GHABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096216034 211319752 /nfs/dbraw/zinc/31/97/52/211319752.db2.gz LQHAJEZZABWAEI-QHCPKHFHSA-N 1 0 392.503 3.901 40 0 GHABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000096061343 211298350 /nfs/dbraw/zinc/29/83/50/211298350.db2.gz PBPOOVSFEOVRHD-HXUWFJFHSA-N 1 0 384.545 3.745 40 0 GHABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccoc1)CC2 ZINC000096037028 211296815 /nfs/dbraw/zinc/29/68/15/211296815.db2.gz APVZTBSGUSCERE-UHFFFAOYSA-N 1 0 376.504 3.970 40 0 GHABRO COc1ccc(OC)c(CN2C[C@@H](c3cn(C)c4ccccc34)[C@H]([NH+](C)C)C2)c1 ZINC000072395144 211109964 /nfs/dbraw/zinc/10/99/64/211109964.db2.gz HWOFHQLONWHTHB-JTHBVZDNSA-N 1 0 393.531 3.725 40 0 GHABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072348768 211095574 /nfs/dbraw/zinc/09/55/74/211095574.db2.gz UIIISGVLNCDFRF-GOSISDBHSA-N 1 0 379.504 3.559 40 0 GHABRO C[C@@H](C[N@@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 ZINC000072341396 211092735 /nfs/dbraw/zinc/09/27/35/211092735.db2.gz HSDBRFIPQLBPBP-LEUOFYLZSA-N 1 0 375.467 3.784 40 0 GHABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359680 211100725 /nfs/dbraw/zinc/10/07/25/211100725.db2.gz YFMWGPNCQXXOSB-KRWDZBQOSA-N 1 0 384.911 3.599 40 0 GHABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000072358391 211099005 /nfs/dbraw/zinc/09/90/05/211099005.db2.gz KHMFNGYMNOTZDX-IBGZPJMESA-N 1 0 390.462 3.761 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352544 211097169 /nfs/dbraw/zinc/09/71/69/211097169.db2.gz SRTFOVMKJFEPIA-INIZCTEOSA-N 1 0 388.496 3.933 40 0 GHABRO O=C1N[C@]2(COC3(C2)CC[NH+](Cc2ccccc2)CC3)Nc2ccc(Cl)cc21 ZINC000072325564 211089720 /nfs/dbraw/zinc/08/97/20/211089720.db2.gz MNRDFDYZSICUPX-JOCHJYFZSA-N 1 0 397.906 3.647 40 0 GHABRO COc1ccccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875422 210815683 /nfs/dbraw/zinc/81/56/83/210815683.db2.gz IRGWMRNEUDWEST-GOSISDBHSA-N 1 0 382.504 3.765 40 0 GHABRO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000020487626 210339257 /nfs/dbraw/zinc/33/92/57/210339257.db2.gz KVCGLFMEMGBLSJ-KRWDZBQOSA-N 1 0 382.504 3.866 40 0 GHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)COc1ccc(F)cc1)Cc1ccccc1O2 ZINC000019591968 210275224 /nfs/dbraw/zinc/27/52/24/210275224.db2.gz IXMRHOIVELHBCP-UHFFFAOYSA-N 1 0 398.478 3.527 40 0 GHABRO CN(C)C(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)nc1 ZINC000019705893 210283789 /nfs/dbraw/zinc/28/37/89/210283789.db2.gz YKHBNGGICNCRMZ-IBGZPJMESA-N 1 0 393.531 3.877 40 0 GHABRO CCN(CC)C(=O)C[NH+]1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000019690274 210282289 /nfs/dbraw/zinc/28/22/89/210282289.db2.gz MTNXYVHFWJIOBN-UHFFFAOYSA-N 1 0 383.511 3.859 40 0 GHABRO Cc1nn(C(C)C)c(C)c1CN1CCN(c2cc(C)nc([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019697965 210281036 /nfs/dbraw/zinc/28/10/36/210281036.db2.gz KRDUGMMPSBSUOK-JOCHJYFZSA-N 1 0 396.583 3.531 40 0 GHABRO Cc1nn(-c2cccc(C(=O)NCC3CC[NH+](C(C)C)CC3)c2)c(C)c1Cl ZINC000019578430 210269463 /nfs/dbraw/zinc/26/94/63/210269463.db2.gz JUHAVQJJWWTGGT-UHFFFAOYSA-N 1 0 388.943 3.993 40 0 GHABRO CC[NH+]1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)CC1 ZINC000004980715 535742675 /nfs/dbraw/zinc/74/26/75/535742675.db2.gz LMXYDSRSLZUCIX-UHFFFAOYSA-N 1 0 379.483 3.556 40 0 GHABRO CCN(CC)Cc1nc(C2(O)CC[NH+](C3CCC(F)(F)CC3)CC2)cs1 ZINC000225463506 560043423 /nfs/dbraw/zinc/04/34/23/560043423.db2.gz JKAIJXMACUSDIJ-UHFFFAOYSA-N 1 0 387.540 3.846 40 0 biogenic,in-vitro GHABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cccnc3)c4=O)C2)cc1 ZINC000005396237 560201634 /nfs/dbraw/zinc/20/16/34/560201634.db2.gz HZUIEPHNRLIYSR-AZUAARDMSA-N 1 0 387.483 3.538 40 0 biogenic,in-vitro GHABRO O=c1c(C2CCCCC2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(CO)o2)C1 ZINC000008296320 560208107 /nfs/dbraw/zinc/20/81/07/560208107.db2.gz CHHZYSAKMRQNTM-FUHWJXTLSA-N 1 0 382.504 3.601 40 0 biogenic,in-vitro GHABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3c(C)cccc3C)cc12 ZINC000585283911 570252315 /nfs/dbraw/zinc/25/23/15/570252315.db2.gz IQLFESUDJUSRGT-LJQANCHMSA-N 1 0 380.488 3.704 40 0 GHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039773506 570446545 /nfs/dbraw/zinc/44/65/45/570446545.db2.gz XNWPLBZOTYCKNU-UHFFFAOYSA-N 1 0 384.495 3.795 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000223247927 570452689 /nfs/dbraw/zinc/45/26/89/570452689.db2.gz QFTGXYWVLQSDAO-NHCUHLMSSA-N 1 0 397.592 3.922 40 0 GHABRO CCSc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000223627325 570475443 /nfs/dbraw/zinc/47/54/43/570475443.db2.gz LTRLJPOQXMKBLS-CYBMUJFWSA-N 1 0 380.514 3.640 40 0 GHABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000137725443 570484179 /nfs/dbraw/zinc/48/41/79/570484179.db2.gz CIPHZBZHSMQODA-UHFFFAOYSA-N 1 0 378.925 3.804 40 0 GHABRO CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030939514 570501580 /nfs/dbraw/zinc/50/15/80/570501580.db2.gz BSXSUSHBJOQONP-SFHVURJKSA-N 1 0 397.494 3.816 40 0 GHABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624795 570521223 /nfs/dbraw/zinc/52/12/23/570521223.db2.gz XHQXYPIRVYTDBW-QFIPXVFZSA-N 1 0 382.504 3.765 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000225291750 570562245 /nfs/dbraw/zinc/56/22/45/570562245.db2.gz VIKQHYJXEXIIIQ-JOCHJYFZSA-N 1 0 382.552 3.933 40 0 GHABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000225650877 570597981 /nfs/dbraw/zinc/59/79/81/570597981.db2.gz IPIPPWJOFSMAJA-SFHVURJKSA-N 1 0 393.531 3.723 40 0 GHABRO Cc1cc(C)c(-n2cccn2)c(CN(CCC[NH+](C)C)Cc2ccccn2)c1 ZINC000012118132 570611878 /nfs/dbraw/zinc/61/18/78/570611878.db2.gz IWGRROXODUAICZ-UHFFFAOYSA-N 1 0 377.536 3.838 40 0 GHABRO CCN(CCC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1ccccc1 ZINC000012132095 570613607 /nfs/dbraw/zinc/61/36/07/570613607.db2.gz VJNKXFMQPOGGGQ-UHFFFAOYSA-N 1 0 386.503 3.798 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC000012292892 570633668 /nfs/dbraw/zinc/63/36/68/570633668.db2.gz AHNZCKHZVLYJJD-UHFFFAOYSA-N 1 0 391.471 3.761 40 0 GHABRO CN(CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000044916808 570642893 /nfs/dbraw/zinc/64/28/93/570642893.db2.gz HEIWRVJZJKJDTQ-UHFFFAOYSA-N 1 0 385.939 3.805 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000012330692 570644658 /nfs/dbraw/zinc/64/46/58/570644658.db2.gz VUYNZRLSOCWRML-UHFFFAOYSA-N 1 0 381.451 3.504 40 0 GHABRO COc1cc(/C=C/c2cccc[n+]2C)ccc1OCC(=O)Nc1ccccc1 ZINC000005002328 570652347 /nfs/dbraw/zinc/65/23/47/570652347.db2.gz UPRACGLACOKYPM-ACCUITESSA-O 1 0 375.448 3.708 40 0 GHABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OCC(N)=O ZINC000008253783 570766042 /nfs/dbraw/zinc/76/60/42/570766042.db2.gz RMEFAAMPJGENAC-UHFFFAOYSA-N 1 0 383.275 3.546 40 0 GHABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)CCOc2cccc(F)c2)c2ccccn2)CC1 ZINC000257313853 570907382 /nfs/dbraw/zinc/90/73/82/570907382.db2.gz UUJRJHGKNBANAT-HOIFWPIMSA-N 1 0 385.483 3.612 40 0 GHABRO CCCC[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020140901 570942031 /nfs/dbraw/zinc/94/20/31/570942031.db2.gz GLZNTKRMYFXVCL-JOCHJYFZSA-N 1 0 396.583 3.903 40 0 GHABRO CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000020139981 570942063 /nfs/dbraw/zinc/94/20/63/570942063.db2.gz KHHRRXCIUMSBBV-NRFANRHFSA-N 1 0 396.583 3.776 40 0 GHABRO Cc1cn2c(ncc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)c2=O)s1 ZINC000019717069 571039011 /nfs/dbraw/zinc/03/90/11/571039011.db2.gz HGKFHXYNRKDHGV-CQSZACIVSA-N 1 0 396.516 3.691 40 0 GHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000009063522 856409762 /nfs/dbraw/zinc/40/97/62/856409762.db2.gz OFVZQXRPHUIFBQ-UHFFFAOYSA-N 1 0 384.451 3.771 40 0 GHABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCC[N@H+](CC2CC2)C1 ZINC000019530023 856421074 /nfs/dbraw/zinc/42/10/74/856421074.db2.gz HUWJZHSGLWBATD-VGSWGCGISA-N 1 0 388.483 3.764 40 0 GHABRO CC(=O)N[C@H]1CN(C)C2(C1)CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019704156 856424687 /nfs/dbraw/zinc/42/46/87/856424687.db2.gz NIZWLXJAEWQOJR-HSZRJFAPSA-N 1 0 377.532 3.528 40 0 GHABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3cn4cccnc4n3)c2)C1 ZINC000019712191 856426005 /nfs/dbraw/zinc/42/60/05/856426005.db2.gz CHGNOFMKZMZGSG-QUCCMNQESA-N 1 0 393.491 3.544 40 0 GHABRO COc1ccccc1CC(=O)N1CCCCC[C@H]2[NH2+][C@H](Cc3ccccc3)C[C@@H]21 ZINC000019712921 856426844 /nfs/dbraw/zinc/42/68/44/856426844.db2.gz FDRKYLPBJRHWGA-ZLNRFVROSA-N 1 0 392.543 3.982 40 0 GHABRO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000019739195 856428421 /nfs/dbraw/zinc/42/84/21/856428421.db2.gz ZXJVVTDAZAQKBL-FUAYJARZSA-N 1 0 381.520 3.882 40 0 GHABRO C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)ccn2)C1 ZINC000253603247 871896068 /nfs/dbraw/zinc/89/60/68/871896068.db2.gz CHOLBNBCTWXMEK-CTNGQTDRSA-N 1 0 384.568 3.799 40 0 GHABRO CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](CC[C@H](C)c1ccccc1)C2 ZINC000247954370 880094061 /nfs/dbraw/zinc/09/40/61/880094061.db2.gz RZJOEOAPSTZYRM-HTAPYJJXSA-N 1 0 378.520 3.712 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4cccc(F)c4)[C@@H]3C2)cc1 ZINC000247958503 880095317 /nfs/dbraw/zinc/09/53/17/880095317.db2.gz UKWRYFQDPYCLDJ-CDNPAEQRSA-N 1 0 382.479 3.904 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)c1 ZINC000019565100 210265803 /nfs/dbraw/zinc/26/58/03/210265803.db2.gz COAYCCVUFLGWGO-CQSZACIVSA-N 1 0 391.397 3.531 40 0 GHABRO COc1ccc(OC)c(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c1 ZINC000019551485 210261681 /nfs/dbraw/zinc/26/16/81/210261681.db2.gz VGWWWOJUMPEVOR-UHFFFAOYSA-N 1 0 380.448 3.528 40 0 GHABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 ZINC000019555281 210260711 /nfs/dbraw/zinc/26/07/11/210260711.db2.gz YMVHCQYSFWURBL-FQEVSTJZSA-N 1 0 376.460 3.568 40 0 GHABRO CCCN1CC[N@H+](CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502932 210255401 /nfs/dbraw/zinc/25/54/01/210255401.db2.gz UUYDAAPNQLAMOB-HSZRJFAPSA-N 1 0 377.532 3.872 40 0 GHABRO Cc1nccn1CCCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2C ZINC000019288101 210238281 /nfs/dbraw/zinc/23/82/81/210238281.db2.gz PXZLJMRWRMKTHK-CQOQZXRMSA-N 1 0 394.563 3.841 40 0 GHABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000019291407 210237171 /nfs/dbraw/zinc/23/71/71/210237171.db2.gz CEBYZSKJADWSBO-RTHVDDQRSA-N 1 0 380.319 3.847 40 0 GHABRO Cc1nn(-c2ccccc2C)c(C)c1CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000019237567 210236505 /nfs/dbraw/zinc/23/65/05/210236505.db2.gz ZCLSWGGHQOEZGM-NRFANRHFSA-N 1 0 394.563 3.817 40 0 GHABRO Cc1cnn(CCC(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@H+]3C)c1 ZINC000019240001 210235481 /nfs/dbraw/zinc/23/54/81/210235481.db2.gz DZMUJYSHVBJARX-XJUOHMSHSA-N 1 0 398.526 3.590 40 0 GHABRO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211953 210231713 /nfs/dbraw/zinc/23/17/13/210231713.db2.gz MQBKVYMSVBLMOP-QGZVKYPTSA-N 1 0 398.576 3.534 40 0 GHABRO Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019220400 210231058 /nfs/dbraw/zinc/23/10/58/210231058.db2.gz LXJHGWZNDAPBDV-LJQANCHMSA-N 1 0 390.487 3.805 40 0 GHABRO Cc1nn([C@@H](C)CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c(C)c1Cl ZINC000019136442 210229086 /nfs/dbraw/zinc/22/90/86/210229086.db2.gz GGNHOLIDFMZPMA-KSSFIOAISA-N 1 0 376.932 3.832 40 0 GHABRO Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000002806350 209388587 /nfs/dbraw/zinc/38/85/87/209388587.db2.gz HLKNZVDOOBQPTC-IHWFROFDSA-N 1 0 397.592 3.768 40 0 GHABRO Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)cc3)cc2c1 ZINC000013565083 209193365 /nfs/dbraw/zinc/19/33/65/209193365.db2.gz SHVCWQOOFXZCAR-JOCHJYFZSA-N 1 0 388.515 3.733 40 0 GHABRO O=C(CCn1cc(Br)cn1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000002739407 212063041 /nfs/dbraw/zinc/06/30/41/212063041.db2.gz AACYGTAYIAJZED-UHFFFAOYSA-N 1 0 391.313 3.660 40 0 GHABRO COc1cccc(Cc2cncc(C(=O)N3CCC[C@@H]4[N@H+](C)CCC[C@@]43C)c2)c1 ZINC000257290447 212017524 /nfs/dbraw/zinc/01/75/24/212017524.db2.gz QCZJVPBIESXPOA-UPVQGACJSA-N 1 0 393.531 3.770 40 0 GHABRO Cc1ncsc1-c1ncccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257260791 212012251 /nfs/dbraw/zinc/01/22/51/212012251.db2.gz LEJJQDSJFNTSRS-UWJYYQICSA-N 1 0 384.549 3.993 40 0 GHABRO CC[C@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)[nH+]1 ZINC000329059581 209160096 /nfs/dbraw/zinc/16/00/96/209160096.db2.gz WHTJOCOPNOJHGZ-LBPRGKRZSA-N 1 0 375.314 3.783 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@]3(C2)CC=CCN(CCc2ccccc2)C3=O)cn1 ZINC000257230518 212007412 /nfs/dbraw/zinc/00/74/12/212007412.db2.gz GCSFBPPYOFTEGH-DEOSSOPVSA-N 1 0 392.547 3.516 40 0 GHABRO Cc1ncsc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@H+](C)C3)ccn1 ZINC000257231467 212006998 /nfs/dbraw/zinc/00/69/98/212006998.db2.gz GGUKMZMFNMNGHF-CQSHLORDSA-N 1 0 382.533 3.601 40 0 GHABRO O=C(Cc1cccc(Br)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224641299 211869921 /nfs/dbraw/zinc/86/99/21/211869921.db2.gz BQEJWRUKOPCPTR-UHFFFAOYSA-N 1 0 387.321 3.904 40 0 GHABRO CCSc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000223627387 211838417 /nfs/dbraw/zinc/83/84/17/211838417.db2.gz LTRLJPOQXMKBLS-ZDUSSCGKSA-N 1 0 380.514 3.640 40 0 GHABRO COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)[NH+](C)C)CC1 ZINC000100750204 211389960 /nfs/dbraw/zinc/38/99/60/211389960.db2.gz XNPUCJFAWGCFNP-YDIMBITNSA-N 1 0 395.547 3.858 40 0 GHABRO C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000096319726 211332487 /nfs/dbraw/zinc/33/24/87/211332487.db2.gz JCOVILCFVSITPQ-QKYXUNIQSA-N 1 0 398.551 3.583 40 0 GHABRO CN(c1ccc2ccc(C(=O)N3CCC([NH+](C)C)CC3)cn21)c1ccccc1 ZINC000096146181 211309842 /nfs/dbraw/zinc/30/98/42/211309842.db2.gz DAYPFJGNQNTXFQ-UHFFFAOYSA-N 1 0 376.504 3.873 40 0 GHABRO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@]2(C[C@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228365 211321771 /nfs/dbraw/zinc/32/17/71/211321771.db2.gz GFIPCKSLOXAKQB-HYBUGGRVSA-N 1 0 393.531 3.584 40 0 GHABRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1 ZINC000096226038 211321182 /nfs/dbraw/zinc/32/11/82/211321182.db2.gz YFFWGXVPGKAIFG-QFIPXVFZSA-N 1 0 378.476 3.565 40 0 GHABRO O=S(=O)(c1ccccc1)N1CCC[C@]2(CCC[N@@H+]2CCCc2ccccc2)C1 ZINC000096071291 211298317 /nfs/dbraw/zinc/29/83/17/211298317.db2.gz HJPNLSWHUPFDGQ-HSZRJFAPSA-N 1 0 398.572 3.939 40 0 GHABRO CC(=O)N1CCC([NH+]2CCC(c3nccnc3Oc3cccc(F)c3)CC2)CC1 ZINC000072363008 211103445 /nfs/dbraw/zinc/10/34/45/211103445.db2.gz OATCDIVARJZYOC-UHFFFAOYSA-N 1 0 398.482 3.598 40 0 GHABRO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccnn4C)C3)[nH]n2)cc1 ZINC000072371592 211103225 /nfs/dbraw/zinc/10/32/25/211103225.db2.gz WEXMRYIFFWXAJA-IBGZPJMESA-N 1 0 393.535 3.878 40 0 GHABRO Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@H]4CCCC[NH2+]4)C3)cc2)c1 ZINC000072374061 211106125 /nfs/dbraw/zinc/10/61/25/211106125.db2.gz PCEFFWMUGFSHHV-OAQYLSRUSA-N 1 0 391.494 3.915 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072358190 211099414 /nfs/dbraw/zinc/09/94/14/211099414.db2.gz XFEIFFYTTVTGNO-HSZRJFAPSA-N 1 0 381.495 3.959 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)CC1 ZINC000072350200 211097607 /nfs/dbraw/zinc/09/76/07/211097607.db2.gz HTEDBJHAYWOEID-OAQYLSRUSA-N 1 0 377.532 3.863 40 0 GHABRO Cc1occc1-c1cc2nc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)cc(N)n2n1 ZINC000019583119 210271016 /nfs/dbraw/zinc/27/10/16/210271016.db2.gz FPLOOQTZMQCXBH-QGZVFWFLSA-N 1 0 388.475 3.655 40 0 GHABRO CC(C)NC(=O)Cn1cc(C[NH+]2CCC(c3ccncc3)CC2)c2ccccc21 ZINC000012363738 221185179 /nfs/dbraw/zinc/18/51/79/221185179.db2.gz AFWFSQHWWZVBGG-UHFFFAOYSA-N 1 0 390.531 3.941 40 0 GHABRO CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113954721 136192096 /nfs/dbraw/zinc/19/20/96/136192096.db2.gz FZGMZXFXJCOMRP-GOSISDBHSA-N 1 0 381.520 3.968 40 0 GHABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000095532906 535037737 /nfs/dbraw/zinc/03/77/37/535037737.db2.gz VNMRXZNXEDNUMN-TUUKDFBESA-N 1 0 390.543 3.540 40 0 GHABRO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1 ZINC000007105319 536422339 /nfs/dbraw/zinc/42/23/39/536422339.db2.gz MODLJJKIFKGWEL-UHFFFAOYSA-N 1 0 387.911 3.888 40 0 GHABRO CN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C(C)(C)C)on1 ZINC000015673246 560230581 /nfs/dbraw/zinc/23/05/81/560230581.db2.gz KGBQXWRYZUQVEF-OALUTQOASA-N 1 0 383.536 3.789 40 0 biogenic,in-vitro GHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccco1 ZINC000015673300 560230607 /nfs/dbraw/zinc/23/06/07/560230607.db2.gz RASVUAQFTWFKPG-IRXDYDNUSA-N 1 0 397.450 3.548 40 0 biogenic,in-vitro GHABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000585260829 570227948 /nfs/dbraw/zinc/22/79/48/570227948.db2.gz BZIIYOSLEVNLJN-QHCPKHFHSA-N 1 0 393.462 3.662 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585271378 570239721 /nfs/dbraw/zinc/23/97/21/570239721.db2.gz GJXRCUMUPXQMFF-QHCPKHFHSA-N 1 0 382.504 3.749 40 0 GHABRO CCOCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585271738 570241801 /nfs/dbraw/zinc/24/18/01/570241801.db2.gz GYXDCZJJNAEHSJ-QHCPKHFHSA-N 1 0 385.504 3.508 40 0 GHABRO O=C1C[C@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000004615476 570387905 /nfs/dbraw/zinc/38/79/05/570387905.db2.gz RSHZWDMMMKXUTH-INIZCTEOSA-N 1 0 396.796 3.823 40 0 GHABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000222715883 570422053 /nfs/dbraw/zinc/42/20/53/570422053.db2.gz SHZZOCLVLWUWJJ-SFHVURJKSA-N 1 0 394.515 3.856 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 ZINC000223220439 570450555 /nfs/dbraw/zinc/45/05/55/570450555.db2.gz MVYRFMALIVAWMH-OALUTQOASA-N 1 0 385.581 3.562 40 0 GHABRO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)COc1ccccc1 ZINC000257321466 570486872 /nfs/dbraw/zinc/48/68/72/570486872.db2.gz WBUQLRQZRBLCBL-NRFANRHFSA-N 1 0 378.472 3.532 40 0 GHABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000223949058 570491343 /nfs/dbraw/zinc/49/13/43/570491343.db2.gz UIQAXVBNFPQYTO-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224828761 570532641 /nfs/dbraw/zinc/53/26/41/570532641.db2.gz RDEGRWVVAAMHDV-UHFFFAOYSA-N 1 0 392.952 3.946 40 0 GHABRO Cc1cccnc1[C@]1(O)CC[C@@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]21 ZINC000072389831 570576495 /nfs/dbraw/zinc/57/64/95/570576495.db2.gz RWQSLEIHKWWOHZ-XFQAVAEZSA-N 1 0 386.879 3.502 40 0 GHABRO COc1ccc2nc(C[N@@H+]3CCC[C@@H](n4c5ccccc5oc4=O)C3)ccc2c1 ZINC000012089317 570607115 /nfs/dbraw/zinc/60/71/15/570607115.db2.gz JSMMXHSDFSRFGA-GOSISDBHSA-N 1 0 389.455 3.988 40 0 GHABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225730060 570610233 /nfs/dbraw/zinc/61/02/33/570610233.db2.gz AZRGLOVDEHRBBK-HOTGVXAUSA-N 1 0 391.581 3.826 40 0 GHABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225734218 570610574 /nfs/dbraw/zinc/61/05/74/570610574.db2.gz XZMHLHPYGQVPON-LJQANCHMSA-N 1 0 392.543 3.897 40 0 GHABRO C[C@@H](O)C[N@H+](Cc1cccn1-c1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000012147966 570617247 /nfs/dbraw/zinc/61/72/47/570617247.db2.gz GUPJAPMFTYHZPV-MRXNPFEDSA-N 1 0 382.435 3.728 40 0 GHABRO C[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2cccc(Cl)c2n1 ZINC000012147974 570617289 /nfs/dbraw/zinc/61/72/89/570617289.db2.gz FXBYNMQPQOVQIR-CQSZACIVSA-N 1 0 384.863 4.000 40 0 GHABRO C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2cccc(Cl)c2n1 ZINC000012147975 570617340 /nfs/dbraw/zinc/61/73/40/570617340.db2.gz FXBYNMQPQOVQIR-AWEZNQCLSA-N 1 0 384.863 4.000 40 0 GHABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)cc12 ZINC000004231246 570622427 /nfs/dbraw/zinc/62/24/27/570622427.db2.gz ODNMYRHQIJENFJ-UHFFFAOYSA-N 1 0 392.503 3.741 40 0 GHABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293509 570633818 /nfs/dbraw/zinc/63/38/18/570633818.db2.gz BDMRJLAITIJBIC-FCHUYYIVSA-N 1 0 397.515 3.696 40 0 GHABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293750 570634121 /nfs/dbraw/zinc/63/41/21/570634121.db2.gz OKEGUWIUESQILP-SFTDATJTSA-N 1 0 385.479 3.827 40 0 GHABRO Fc1ccccc1C[NH+]1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000012407911 570654961 /nfs/dbraw/zinc/65/49/61/570654961.db2.gz ORPNJMBVNYJSRZ-JKSUJKDBSA-N 1 0 383.393 3.617 40 0 GHABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCO1 ZINC000008253320 570765893 /nfs/dbraw/zinc/76/58/93/570765893.db2.gz JFPLYDKYYMCKGC-GFCCVEGCSA-N 1 0 393.119 3.879 40 0 GHABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cccc3ncccc23)n1 ZINC000013992005 570868844 /nfs/dbraw/zinc/86/88/44/570868844.db2.gz CCYMSFZFRCDOHI-HXUWFJFHSA-N 1 0 390.487 3.704 40 0 GHABRO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063407 856410001 /nfs/dbraw/zinc/41/00/01/856410001.db2.gz HSMJHOVMICQZAH-UHFFFAOYSA-N 1 0 386.879 3.962 40 0 GHABRO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062960 856410166 /nfs/dbraw/zinc/41/01/66/856410166.db2.gz PYTFUXNCSWJAGK-UHFFFAOYSA-N 1 0 393.531 3.986 40 0 GHABRO COc1ccccc1[C@]1(O)CCC[C@H]2C[N@H+](Cc3cnc(C(C)C)nc3)C[C@@H]21 ZINC000019453962 856421100 /nfs/dbraw/zinc/42/11/00/856421100.db2.gz ZMAOSUYZYDLIEB-GREBRCKQSA-N 1 0 381.520 3.728 40 0 GHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3ccc(C)o3)C1)O2 ZINC000019216596 856421760 /nfs/dbraw/zinc/42/17/60/856421760.db2.gz XBGUJROYZQFNJX-FDDCHVKYSA-N 1 0 398.503 3.618 40 0 GHABRO CC(=O)N[C@H]1CN(C)C2(C1)CC[NH+](Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC000019704238 856424379 /nfs/dbraw/zinc/42/43/79/856424379.db2.gz ALBBLFQEVLPMSI-HSZRJFAPSA-N 1 0 395.522 3.668 40 0 GHABRO CC(=O)N[C@@H]1CN(C)C2(C1)CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019704155 856424413 /nfs/dbraw/zinc/42/44/13/856424413.db2.gz NIZWLXJAEWQOJR-QHCPKHFHSA-N 1 0 377.532 3.528 40 0 GHABRO CN1CC[NH+](C2(CNC(=O)c3ccc(Cl)c(Cl)c3)CCCCC2)CC1 ZINC000198636483 866589517 /nfs/dbraw/zinc/58/95/17/866589517.db2.gz RIVJZGXJJBBWIJ-UHFFFAOYSA-N 1 0 384.351 3.674 40 0 in-vitro GHABRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)ccc1O ZINC000247900955 880083162 /nfs/dbraw/zinc/08/31/62/880083162.db2.gz QLSDPSXDBKELMS-GWJPWWOOSA-N 1 0 383.488 3.529 40 0 GHABRO Cc1nn([C@@H](C)CC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)c1Cl ZINC000019577534 210268249 /nfs/dbraw/zinc/26/82/49/210268249.db2.gz NYXOOTGPQFKGLB-MAUKXSAKSA-N 1 0 380.964 3.971 40 0 GHABRO COc1ccccc1NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019571320 210267189 /nfs/dbraw/zinc/26/71/89/210267189.db2.gz JUOOGYMPAMNLHC-QGZVFWFLSA-N 1 0 392.459 3.710 40 0 GHABRO Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019566167 210266635 /nfs/dbraw/zinc/26/66/35/210266635.db2.gz MQBCIWOIYABFSF-LJQANCHMSA-N 1 0 390.487 3.887 40 0 GHABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530039 210258217 /nfs/dbraw/zinc/25/82/17/210258217.db2.gz JALDVPLLLKZRIJ-MBSDFSHPSA-N 1 0 398.503 3.566 40 0 GHABRO CCn1c(CNC(=O)c2ccc(C[NH+]3CCCCCC3)o2)nc2ccccc21 ZINC000019524362 210256326 /nfs/dbraw/zinc/25/63/26/210256326.db2.gz HOQBAZZBAFFDCX-UHFFFAOYSA-N 1 0 380.492 3.955 40 0 GHABRO CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019498861 210253104 /nfs/dbraw/zinc/25/31/04/210253104.db2.gz QRADERUOQQYNGU-LJQANCHMSA-N 1 0 386.540 3.584 40 0 GHABRO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1cnc(C(C)C)nc1 ZINC000019454120 210251309 /nfs/dbraw/zinc/25/13/09/210251309.db2.gz BGFPKHMCSOKLRN-YPAWHYETSA-N 1 0 396.510 3.718 40 0 GHABRO COc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1Br ZINC000019359368 210244538 /nfs/dbraw/zinc/24/45/38/210244538.db2.gz YYBQGKNCXLPPSM-BPQIPLTHSA-N 1 0 391.353 3.788 40 0 GHABRO Cc1ccccc1C[NH+]1CCN(c2c(F)cccc2[C@H](O)c2nccs2)CC1 ZINC000019237235 210235423 /nfs/dbraw/zinc/23/54/23/210235423.db2.gz PSSSXIWMAQTJKS-NRFANRHFSA-N 1 0 397.519 3.995 40 0 GHABRO Cc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c(=O)n1C ZINC000019131838 210226732 /nfs/dbraw/zinc/22/67/32/210226732.db2.gz DFUSDAMIEBCXCO-UHFFFAOYSA-N 1 0 386.455 3.608 40 0 GHABRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@H+](Cc3cccnc3)[C@H]2C1 ZINC000013265844 210055452 /nfs/dbraw/zinc/05/54/52/210055452.db2.gz LWCWNGGBTXRTCN-MJGOQNOKSA-N 1 0 389.421 3.837 40 0 GHABRO O[C@@H](C[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000012292395 209931457 /nfs/dbraw/zinc/93/14/57/209931457.db2.gz FWPZENMRERMHEC-SFHVURJKSA-N 1 0 383.385 3.862 40 0 GHABRO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(-n2cccc2)c1 ZINC000226245796 209186861 /nfs/dbraw/zinc/18/68/61/209186861.db2.gz POXDXWKEBKLNKD-UHFFFAOYSA-N 1 0 389.499 3.976 40 0 GHABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306143591 212054614 /nfs/dbraw/zinc/05/46/14/212054614.db2.gz YGLGBNVGXBAQHY-FQEVSTJZSA-N 1 0 384.487 3.874 40 0 GHABRO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(C)c4)C[C@H]32)cs1 ZINC000306140888 212053196 /nfs/dbraw/zinc/05/31/96/212053196.db2.gz VGEVRNGKYZLVRB-LEWJYISDSA-N 1 0 392.528 3.643 40 0 GHABRO Cc1ccc(CN2Cc3c(nc(C)n3CC3CC3)C3(CC[NH+](C)CC3)C2)s1 ZINC000306138890 212053278 /nfs/dbraw/zinc/05/32/78/212053278.db2.gz SKGPMRBUZHHPDA-UHFFFAOYSA-N 1 0 384.593 3.951 40 0 GHABRO Cc1nc2c(n1C(C)C)CN(Cc1cnn(C)c1)CC21CC[NH+](CC(C)C)CC1 ZINC000306130421 212047737 /nfs/dbraw/zinc/04/77/37/212047737.db2.gz JFXDCYUPMQBIOT-UHFFFAOYSA-N 1 0 398.599 3.511 40 0 GHABRO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@H+](CCC(C)(C)C)CCO2 ZINC000306127659 212047743 /nfs/dbraw/zinc/04/77/43/212047743.db2.gz GEFSAOIXOFACBJ-OXQOHEQNSA-N 1 0 379.570 3.631 40 0 GHABRO COc1cccc(CN2C(=O)CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnc(C)s2)c1 ZINC000257336489 212028454 /nfs/dbraw/zinc/02/84/54/212028454.db2.gz YOSCESSFVXSCEH-WOJBJXKFSA-N 1 0 385.533 3.616 40 0 GHABRO CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257307190 212021127 /nfs/dbraw/zinc/02/11/27/212021127.db2.gz SXONADLZTVIWNK-GEFMQMDVSA-N 1 0 392.927 3.543 40 0 GHABRO COc1ccccc1Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@@H+]3C)ccn1 ZINC000257283625 212016130 /nfs/dbraw/zinc/01/61/30/212016130.db2.gz OZCBEGSEZHFFHQ-UPVQGACJSA-N 1 0 393.531 3.770 40 0 GHABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccc(Cc2ccccc2F)n1 ZINC000257273945 212014632 /nfs/dbraw/zinc/01/46/32/212014632.db2.gz NIXCNNHRKLDKMS-GMAHTHKFSA-N 1 0 381.495 3.900 40 0 GHABRO COCCN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@@H+]2Cc1ccccc1 ZINC000257270021 212014200 /nfs/dbraw/zinc/01/42/00/212014200.db2.gz MSMINCPCAWHAIW-WXFUMESZSA-N 1 0 380.532 3.632 40 0 GHABRO COc1ccccc1Cc1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)ccn1 ZINC000257253923 212010527 /nfs/dbraw/zinc/01/05/27/212010527.db2.gz KAWJAFQJFBGTEF-UPVQGACJSA-N 1 0 393.531 3.818 40 0 GHABRO CCCC[N@H+](Cc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O ZINC000257244129 212009025 /nfs/dbraw/zinc/00/90/25/212009025.db2.gz IJZCDZBNCPGTEK-VXKWHMMOSA-N 1 0 382.504 3.671 40 0 GHABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)N3CCC[N@H+](C)CC3)ccc1OC2(C)C ZINC000257216293 212004558 /nfs/dbraw/zinc/00/45/58/212004558.db2.gz CTWNSZRVLUPMIY-KBAYOESNSA-N 1 0 386.536 3.861 40 0 GHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccnc(Cc3cccc(F)c3)c1)C2 ZINC000257214004 212003313 /nfs/dbraw/zinc/00/33/13/212003313.db2.gz CKBPFWKNEWIJTL-YCSHWKNNSA-N 1 0 393.506 3.899 40 0 GHABRO Cc1ccc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000328985818 209156239 /nfs/dbraw/zinc/15/62/39/209156239.db2.gz HVSIHHDBWDUBNC-UHFFFAOYSA-N 1 0 393.457 3.632 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1C ZINC000225436893 211897811 /nfs/dbraw/zinc/89/78/11/211897811.db2.gz VBEWNUQMCJKKHZ-UHFFFAOYSA-N 1 0 377.554 3.580 40 0 GHABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[NH+]2CCC(C)CC2)c1 ZINC000225436940 211897404 /nfs/dbraw/zinc/89/74/04/211897404.db2.gz VJQHSCJZFWBFAN-UHFFFAOYSA-N 1 0 377.554 3.580 40 0 GHABRO COc1ccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224671583 211869043 /nfs/dbraw/zinc/86/90/43/211869043.db2.gz ATAZBRXHXWIHHO-GOSISDBHSA-N 1 0 382.504 3.765 40 0 GHABRO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096080360 211300865 /nfs/dbraw/zinc/30/08/65/211300865.db2.gz MYRFXKFUSRBYHS-HSZRJFAPSA-N 1 0 390.487 3.664 40 0 GHABRO CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056028 211298716 /nfs/dbraw/zinc/29/87/16/211298716.db2.gz NGVRLVPXMHSOIU-FPOVZHCZSA-N 1 0 388.533 3.618 40 0 GHABRO Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccco4)[C@@H]3C2)c1 ZINC000096054572 211298074 /nfs/dbraw/zinc/29/80/74/211298074.db2.gz LMMGCAKKQWYAKJ-WMQCIHAUSA-N 1 0 388.533 3.509 40 0 GHABRO CN1CCn2c(-c3cccc(F)c3)cnc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000096036968 211297064 /nfs/dbraw/zinc/29/70/64/211297064.db2.gz WPNRZESDVQFYAL-UHFFFAOYSA-N 1 0 391.494 3.521 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)cc1 ZINC000096047540 211296978 /nfs/dbraw/zinc/29/69/78/211296978.db2.gz JQEVEOCPYBYXCI-HSZRJFAPSA-N 1 0 379.504 3.638 40 0 GHABRO Cn1cc(C[NH+]2CCC3(CC2)c2ccccc2N(Cc2ccccc2)C3=O)cn1 ZINC000096052528 211296550 /nfs/dbraw/zinc/29/65/50/211296550.db2.gz HFMYMKBVSUIUKL-UHFFFAOYSA-N 1 0 386.499 3.501 40 0 GHABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000096037091 211296262 /nfs/dbraw/zinc/29/62/62/211296262.db2.gz SLIPFVCHJZFIQZ-UHFFFAOYSA-N 1 0 394.563 3.522 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)o1 ZINC000096036982 211296070 /nfs/dbraw/zinc/29/60/70/211296070.db2.gz HAOOJEQMNAMCCF-UHFFFAOYSA-N 1 0 376.504 3.888 40 0 GHABRO Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@H]2CCC[NH2+]C2)C1 ZINC000072372156 211101875 /nfs/dbraw/zinc/10/18/75/211101875.db2.gz AMLWOIZFZNIUCK-KRWDZBQOSA-N 1 0 391.494 3.567 40 0 GHABRO CC(C)c1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cnn(C)c4)C3)[nH]n2)cc1 ZINC000072371565 211102018 /nfs/dbraw/zinc/10/20/18/211102018.db2.gz MHXPKQWZGQANCI-HXUWFJFHSA-N 1 0 393.535 3.878 40 0 GHABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1)N1CCCCC1 ZINC000072348703 211095667 /nfs/dbraw/zinc/09/56/67/211095667.db2.gz UBVVHKREYBLSMJ-UHFFFAOYSA-N 1 0 377.532 3.864 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)cc1 ZINC000072341414 211093506 /nfs/dbraw/zinc/09/35/06/211093506.db2.gz DWROQQOWBDCFDS-MJGOQNOKSA-N 1 0 387.549 3.877 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072358188 211099628 /nfs/dbraw/zinc/09/96/28/211099628.db2.gz WCYFBJSCFZCCCG-HSZRJFAPSA-N 1 0 381.495 3.959 40 0 GHABRO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+]3C3CCN(C(C)=O)CC3)n2)c1 ZINC000072358192 211098594 /nfs/dbraw/zinc/09/85/94/211098594.db2.gz IJNCOYDFXKVQTM-XMMPIXPASA-N 1 0 393.531 3.829 40 0 GHABRO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](C4CCN(C(C)=O)CC4)C3)n2)cc1 ZINC000072350196 211097428 /nfs/dbraw/zinc/09/74/28/211097428.db2.gz OBYSDCZMCPJKRO-HXUWFJFHSA-N 1 0 393.531 3.948 40 0 GHABRO NC(=O)C1CC[NH+]([C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)CC1 ZINC000020509634 210343334 /nfs/dbraw/zinc/34/33/34/210343334.db2.gz ZHRXXKHEQQGSDW-GOSISDBHSA-N 1 0 396.878 3.677 40 0 GHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000020048535 210314294 /nfs/dbraw/zinc/31/42/94/210314294.db2.gz CGLLZIKQJNYVCM-NRFANRHFSA-N 1 0 391.559 3.877 40 0 GHABRO Fc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCNC5)C3)cc2)c1 ZINC000019711040 210286224 /nfs/dbraw/zinc/28/62/24/210286224.db2.gz GAYRYCUUGIHFEM-HXUWFJFHSA-N 1 0 391.494 3.567 40 0 GHABRO Cc1nn(C)c2nc([C@@H]3CCC[N@H+](Cc4c(C)nc5cc(C)ccn54)C3)ccc12 ZINC000019742496 210291854 /nfs/dbraw/zinc/29/18/54/210291854.db2.gz OGJASZBHSIYPSB-GOSISDBHSA-N 1 0 388.519 3.921 40 0 GHABRO COCCn1cc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c2ccccc21 ZINC000019594204 210274774 /nfs/dbraw/zinc/27/47/74/210274774.db2.gz JEYWPONXMVUXSL-NRFANRHFSA-N 1 0 379.504 3.864 40 0 GHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 ZINC000019687414 210281283 /nfs/dbraw/zinc/28/12/83/210281283.db2.gz FEGAFFZVPBMJJT-FQEVSTJZSA-N 1 0 394.498 3.728 40 0 GHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@H+](CC(C)(C)C)C2)n1 ZINC000019694515 210280935 /nfs/dbraw/zinc/28/09/35/210280935.db2.gz YAPQGBHBGXPMKT-GOSISDBHSA-N 1 0 395.551 3.534 40 0 GHABRO Cc1cc(C)cc(C2(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CCOCC2)c1 ZINC000019662001 210279003 /nfs/dbraw/zinc/27/90/03/210279003.db2.gz MMTJEZMWKDASEM-JOCHJYFZSA-N 1 0 398.522 3.910 40 0 GHABRO CNc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)ccn1 ZINC000019592078 210274588 /nfs/dbraw/zinc/27/45/88/210274588.db2.gz XAQKNMLLFKMCGC-VWPQPMDRSA-N 1 0 378.520 3.606 40 0 GHABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCc1ccncc1 ZINC000019590182 210273929 /nfs/dbraw/zinc/27/39/29/210273929.db2.gz BSOYAYKMIZTGHF-CQOQZXRMSA-N 1 0 377.532 3.883 40 0 GHABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4cc(OC)c(OC)c(OC)c4)C3)nc2c1 ZINC000035446800 560079225 /nfs/dbraw/zinc/07/92/25/560079225.db2.gz VXSJUCIDUJPXJW-HNNXBMFYSA-N 1 0 397.475 3.587 40 0 biogenic,in-vitro GHABRO FC(F)(F)c1nc(-c2ccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)nc2)no1 ZINC000585289050 570256985 /nfs/dbraw/zinc/25/69/85/570256985.db2.gz CIIOCLKVIQOWGG-OAHLLOKOSA-N 1 0 389.381 3.925 40 0 GHABRO CC1(C)CC[C@@H]2[C@@H](CCC[N@@H+]2CC2(O)CCN(c3ccc(F)cc3)CC2)O1 ZINC000585287441 570258513 /nfs/dbraw/zinc/25/85/13/570258513.db2.gz WVNCJEAOYVNORK-WOJBJXKFSA-N 1 0 376.516 3.579 40 0 GHABRO COc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039772611 570446438 /nfs/dbraw/zinc/44/64/38/570446438.db2.gz UYNDWHMNQCQIOV-LJQANCHMSA-N 1 0 396.531 3.799 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223282916 570455809 /nfs/dbraw/zinc/45/58/09/570455809.db2.gz PBVQOIQIKOCRSG-RTWAWAEBSA-N 1 0 392.528 3.876 40 0 GHABRO Cn1nccc1-c1cc(C(=O)NC(C)(C)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000035316603 570470368 /nfs/dbraw/zinc/47/03/68/570470368.db2.gz RXZQGLOFAGQDRC-UHFFFAOYSA-N 1 0 391.519 3.630 40 0 GHABRO Cc1ccc(C)c(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224040384 570495970 /nfs/dbraw/zinc/49/59/70/570495970.db2.gz SQAUYQIRTZIBKW-HXUWFJFHSA-N 1 0 384.495 3.850 40 0 GHABRO CCOC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044911437 570642473 /nfs/dbraw/zinc/64/24/73/570642473.db2.gz ZGWCRIWPJZEXTB-GOSISDBHSA-N 1 0 384.451 3.853 40 0 GHABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329910 570644208 /nfs/dbraw/zinc/64/42/08/570644208.db2.gz ZLQGCNQIYZJAPZ-FCHUYYIVSA-N 1 0 397.515 3.696 40 0 GHABRO O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044938305 570644718 /nfs/dbraw/zinc/64/47/18/570644718.db2.gz SYPYCYLTBNZWNO-SFHVURJKSA-N 1 0 395.478 3.803 40 0 GHABRO C[NH+](C)CC1CCC2(CC1)CN(C(=O)c1ccncc1)Cc1ccccc1O2 ZINC000012365610 570646824 /nfs/dbraw/zinc/64/68/24/570646824.db2.gz KQHLYKJGSDGJAT-UHFFFAOYSA-N 1 0 379.504 3.607 40 0 GHABRO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057137739 570701206 /nfs/dbraw/zinc/70/12/06/570701206.db2.gz JZCIOWFIFGXGEY-QGZVFWFLSA-N 1 0 382.504 3.793 40 0 GHABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000058975720 570736164 /nfs/dbraw/zinc/73/61/64/570736164.db2.gz HVPMEWFESVCWHF-UHFFFAOYSA-N 1 0 388.515 3.847 40 0 GHABRO COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)cc1 ZINC000585104188 570930158 /nfs/dbraw/zinc/93/01/58/570930158.db2.gz KKJLFSUVAXPZEG-YADARESESA-N 1 0 394.515 3.507 40 0 GHABRO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cc(OC)c1 ZINC000019712594 856425888 /nfs/dbraw/zinc/42/58/88/856425888.db2.gz QYVSCPYZKPLCKR-ZDXQCDESSA-N 1 0 394.515 3.731 40 0 GHABRO COc1ccccc1[C@]1(O)CCC[C@H]2C[N@H+](Cc3cnc(C(C)C)nc3)C[C@H]21 ZINC000248205043 870317779 /nfs/dbraw/zinc/31/77/79/870317779.db2.gz ZMAOSUYZYDLIEB-JXHRLWIKSA-N 1 0 381.520 3.728 40 0 GHABRO COc1ccc(OC)c(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)c1 ZINC000019551701 210261236 /nfs/dbraw/zinc/26/12/36/210261236.db2.gz BHFIKJRCNPZXLS-VQTJNVASSA-N 1 0 381.451 3.949 40 0 GHABRO C[NH2+]C1CCC2(CC1)CN(Cc1cnc(C(C)C)nc1)Cc1ccccc1O2 ZINC000019454130 210250727 /nfs/dbraw/zinc/25/07/27/210250727.db2.gz JSFLDBYCBUMNBP-UHFFFAOYSA-N 1 0 380.536 3.895 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CC1 ZINC000019400676 210247108 /nfs/dbraw/zinc/24/71/08/210247108.db2.gz UXKVFKQCAIBIIK-LAUBAEHRSA-N 1 0 385.458 3.839 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CC1 ZINC000019400533 210245933 /nfs/dbraw/zinc/24/59/33/210245933.db2.gz UFDXKTKGIQUDIZ-DYESRHJHSA-N 1 0 385.458 3.839 40 0 GHABRO O=c1cc(C[C@@H]([NH2+]Cc2cccnc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 ZINC000019339686 210241266 /nfs/dbraw/zinc/24/12/66/210241266.db2.gz IDJAGNMYSXUWBK-HXUWFJFHSA-N 1 0 378.451 3.645 40 0 GHABRO Cc1nc([C@@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2ccc(F)cc2)cc(=O)[nH]1 ZINC000019285165 210234774 /nfs/dbraw/zinc/23/47/74/210234774.db2.gz ZSNOYKJJTYAAEC-HXUWFJFHSA-N 1 0 376.435 3.772 40 0 GHABRO COc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccs4)C2)OC3)cc1 ZINC000306144651 212055729 /nfs/dbraw/zinc/05/57/29/212055729.db2.gz ZKZCBJXPOYXTED-OAQYLSRUSA-N 1 0 381.501 3.795 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccc1 ZINC000306138003 212053819 /nfs/dbraw/zinc/05/38/19/212053819.db2.gz RMKDPPYETDNTHO-YADHBBJMSA-N 1 0 375.447 3.709 40 0 GHABRO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 ZINC000306133693 212051034 /nfs/dbraw/zinc/05/10/34/212051034.db2.gz MSWGGYWXTQSPKU-SFTDATJTSA-N 1 0 377.513 3.940 40 0 GHABRO Cc1ccsc1C[N@@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306125907 212044094 /nfs/dbraw/zinc/04/40/94/212044094.db2.gz DFIISWSQUMNZNS-WOJBJXKFSA-N 1 0 377.513 3.940 40 0 GHABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000040373293 212040804 /nfs/dbraw/zinc/04/08/04/212040804.db2.gz LJAHHMHLAXCJFC-FQEVSTJZSA-N 1 0 393.568 3.580 40 0 GHABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257307228 212022132 /nfs/dbraw/zinc/02/21/32/212022132.db2.gz SXSPAAPTXFYHKE-SFHVURJKSA-N 1 0 385.483 3.596 40 0 GHABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NCC3CCC3)[NH2+][C@H]2c2cccc(F)c2)n1 ZINC000257306465 212021681 /nfs/dbraw/zinc/02/16/81/212021681.db2.gz SUIXZXIKYGXMKE-GIVPXCGWSA-N 1 0 398.526 3.880 40 0 GHABRO O=C1CO[C@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000257277262 212015897 /nfs/dbraw/zinc/01/58/97/212015897.db2.gz NXCNVJYFIVBLKA-XMMPIXPASA-N 1 0 396.506 3.652 40 0 GHABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccsc3)C[C@H]2c2ccccc2)CC1 ZINC000257279790 212015447 /nfs/dbraw/zinc/01/54/47/212015447.db2.gz OIEQZRRRIZTIJH-FQEVSTJZSA-N 1 0 384.545 3.603 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC(C)(c3ncc(Cc4ccc(F)cc4)o3)CC2)CC1 ZINC000257220378 212004859 /nfs/dbraw/zinc/00/48/59/212004859.db2.gz DKPGFJUHZOHVMJ-UHFFFAOYSA-N 1 0 399.510 3.626 40 0 GHABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)COC(C)C)C3)c2)c1 ZINC000257211177 212004272 /nfs/dbraw/zinc/00/42/72/212004272.db2.gz BXTWUPJULDHBOT-QGZVFWFLSA-N 1 0 383.492 3.883 40 0 GHABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000257213415 212002942 /nfs/dbraw/zinc/00/29/42/212002942.db2.gz CHMLQTFARCWCFM-INIZCTEOSA-N 1 0 380.517 3.773 40 0 GHABRO Cc1cc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)ccc1Cl ZINC000328986457 209155628 /nfs/dbraw/zinc/15/56/28/209155628.db2.gz HYUCDDWZAXMNHW-UHFFFAOYSA-N 1 0 387.837 3.986 40 0 GHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)n1 ZINC000328977636 209154550 /nfs/dbraw/zinc/15/45/50/209154550.db2.gz FUHWOVWKJMTDNR-UHFFFAOYSA-N 1 0 399.848 3.587 40 0 GHABRO Cc1cc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)ccc1F ZINC000328966241 209154087 /nfs/dbraw/zinc/15/40/87/209154087.db2.gz CJTLZNJISHXDGN-UHFFFAOYSA-N 1 0 380.471 3.515 40 0 GHABRO O=S(=O)(Cc1ccccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224672254 211869796 /nfs/dbraw/zinc/86/97/96/211869796.db2.gz LKZBUJYHLAEJII-UHFFFAOYSA-N 1 0 392.952 3.946 40 0 GHABRO COc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1C ZINC000100750267 211389926 /nfs/dbraw/zinc/38/99/26/211389926.db2.gz XBCFNOYBBOKJMG-GWJPWWOOSA-N 1 0 381.520 3.564 40 0 GHABRO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@H+](Cc1ccccc1F)CC2 ZINC000096260513 211326649 /nfs/dbraw/zinc/32/66/49/211326649.db2.gz PUNUTFCBMFCXQC-UHFFFAOYSA-N 1 0 398.526 3.591 40 0 GHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCc4ccco4)nc23)cc1 ZINC000096244216 211325338 /nfs/dbraw/zinc/32/53/38/211325338.db2.gz APVFIBFGZWYLJB-HSZRJFAPSA-N 1 0 390.487 3.664 40 0 GHABRO CCOC(=O)[C@@]12C[N@H+](CC(C)C)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096055931 211298439 /nfs/dbraw/zinc/29/84/39/211298439.db2.gz KHRXKJQTUNRRIZ-UGKGYDQZSA-N 1 0 376.516 3.559 40 0 GHABRO CCOC(=O)[C@@]12C[N@H+](CC(C)C)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096055930 211298175 /nfs/dbraw/zinc/29/81/75/211298175.db2.gz MMKOZIKQYZLKGY-RXVVDRJESA-N 1 0 378.582 3.790 40 0 GHABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccco3)CC2)cc1 ZINC000096037077 211296988 /nfs/dbraw/zinc/29/69/88/211296988.db2.gz UVKBTHPKZAKLGT-UHFFFAOYSA-N 1 0 376.504 3.888 40 0 GHABRO Cn1cc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cn1 ZINC000096038318 211295682 /nfs/dbraw/zinc/29/56/82/211295682.db2.gz STLBOIDLXGSXCT-UHFFFAOYSA-N 1 0 387.491 3.586 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CN(C(C)=O)Cc3ccccc3O2)C1 ZINC000072373015 211103003 /nfs/dbraw/zinc/10/30/03/211103003.db2.gz VQOWNOUTBHBUHD-GBXCKJPGSA-N 1 0 394.515 3.717 40 0 GHABRO COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)c2)c1 ZINC000072370060 211102765 /nfs/dbraw/zinc/10/27/65/211102765.db2.gz PYLJBPLFDYPJJL-FQEVSTJZSA-N 1 0 393.531 3.867 40 0 GHABRO CC(C)CC(=O)N[C@@H](c1nccs1)C1CCC(C[NH2+]C2CCOCC2)CC1 ZINC000072373171 211102122 /nfs/dbraw/zinc/10/21/22/211102122.db2.gz ZJSRVIIBLJLJOM-LBXVMSDZSA-N 1 0 393.597 3.922 40 0 GHABRO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@@H+]2Cc2ccccn2)c1 ZINC000072376877 211105898 /nfs/dbraw/zinc/10/58/98/211105898.db2.gz LHTUETFGSFGLMS-FQEVSTJZSA-N 1 0 375.476 3.857 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CC[C@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 ZINC000072374731 211105978 /nfs/dbraw/zinc/10/59/78/211105978.db2.gz LKYUGUACHBGOCL-FQEVSTJZSA-N 1 0 383.511 3.778 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072348765 211095530 /nfs/dbraw/zinc/09/55/30/211095530.db2.gz ZZVZVEMVEHQRJS-LJQANCHMSA-N 1 0 383.511 3.859 40 0 GHABRO CCc1nccn1-c1nccnc1C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000072350516 211097314 /nfs/dbraw/zinc/09/73/14/211097314.db2.gz YNKGFOBCUCUZDK-UHFFFAOYSA-N 1 0 377.492 3.613 40 0 GHABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC000089212649 210934354 /nfs/dbraw/zinc/93/43/54/210934354.db2.gz RSEOPQKLPBGQKJ-MRXNPFEDSA-N 1 0 383.330 3.981 40 0 GHABRO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000020487623 210340183 /nfs/dbraw/zinc/34/01/83/210340183.db2.gz KVCGLFMEMGBLSJ-QGZVFWFLSA-N 1 0 382.504 3.866 40 0 GHABRO Fc1ccccc1-c1ccccc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000019711270 210285644 /nfs/dbraw/zinc/28/56/44/210285644.db2.gz AAIOHJCTBOQPMI-UHFFFAOYSA-N 1 0 391.494 3.567 40 0 GHABRO Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764193 210296357 /nfs/dbraw/zinc/29/63/57/210296357.db2.gz PDJSVVAEUZQPPD-UHFFFAOYSA-N 1 0 387.487 3.812 40 0 GHABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](CC(C)(C)C)CC2)cc1 ZINC000019756570 210294172 /nfs/dbraw/zinc/29/41/72/210294172.db2.gz BUHQZZGZRGAELZ-UHFFFAOYSA-N 1 0 398.551 3.982 40 0 GHABRO Cn1cc(C(=O)NC2CCCC2)c(CC2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000019756727 210293505 /nfs/dbraw/zinc/29/35/05/210293505.db2.gz PAGWTVWURRNCTO-IBGZPJMESA-N 1 0 384.568 3.703 40 0 GHABRO Cc1cc(C)cc(C2(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CCOCC2)c1 ZINC000019661999 210278834 /nfs/dbraw/zinc/27/88/34/210278834.db2.gz MMTJEZMWKDASEM-QFIPXVFZSA-N 1 0 398.522 3.910 40 0 GHABRO CN(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)ccn1 ZINC000019589114 210272547 /nfs/dbraw/zinc/27/25/47/210272547.db2.gz ZRGYVSJWTKMPIP-XJUOHMSHSA-N 1 0 392.547 3.630 40 0 GHABRO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000096269417 560054259 /nfs/dbraw/zinc/05/42/59/560054259.db2.gz VPSXOKVVHPDPQQ-HNNXBMFYSA-N 1 0 385.414 3.526 40 0 biogenic,in-vitro GHABRO Brc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329009039 570211771 /nfs/dbraw/zinc/21/17/71/570211771.db2.gz LUZDACKOLFBHCR-UHFFFAOYSA-N 1 0 387.325 3.927 40 0 GHABRO CC(C)c1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329039160 570214068 /nfs/dbraw/zinc/21/40/68/570214068.db2.gz RWMXZZQNEGIZNH-MRXNPFEDSA-N 1 0 380.536 3.992 40 0 GHABRO Cc1ccc(Cl)c(OCC2(O)CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)c1 ZINC000585270638 570239215 /nfs/dbraw/zinc/23/92/15/570239215.db2.gz NVHDJJGRRMBHPD-UHFFFAOYSA-N 1 0 385.895 3.931 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585271370 570239630 /nfs/dbraw/zinc/23/96/30/570239630.db2.gz GJXRCUMUPXQMFF-HSZRJFAPSA-N 1 0 382.504 3.749 40 0 GHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3c(C)cccc3C)cc2c1 ZINC000585283067 570251372 /nfs/dbraw/zinc/25/13/72/570251372.db2.gz BGXPAOGDYIRHBE-FQEVSTJZSA-N 1 0 380.488 3.704 40 0 GHABRO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@@H+]2C[C@@]1(O)CC[C@H](c2ccccc2)CC1 ZINC000585287075 570256153 /nfs/dbraw/zinc/25/61/53/570256153.db2.gz SHCCPHUKAYLPKT-LWSSLDFYSA-N 1 0 384.564 3.798 40 0 GHABRO COc1cc(CCN2CC[NH+]([C@H](C)c3ccccc3)CC2)cc(OC)c1OC ZINC000022859362 570331995 /nfs/dbraw/zinc/33/19/95/570331995.db2.gz AEEUODCKQZIBMJ-GOSISDBHSA-N 1 0 384.520 3.634 40 0 GHABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)OCCO2 ZINC000222717251 570422177 /nfs/dbraw/zinc/42/21/77/570422177.db2.gz VODPWTMLRGZOHO-MRXNPFEDSA-N 1 0 398.478 3.686 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223220242 570450703 /nfs/dbraw/zinc/45/07/03/570450703.db2.gz WECUKFLBUCXNBE-RTWAWAEBSA-N 1 0 397.592 3.922 40 0 GHABRO Cc1cccc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1C ZINC000223960517 570491786 /nfs/dbraw/zinc/49/17/86/570491786.db2.gz ASMHAXXXXFZOQR-FQEVSTJZSA-N 1 0 384.495 3.850 40 0 GHABRO COc1ccc(CCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000038849001 570587131 /nfs/dbraw/zinc/58/71/31/570587131.db2.gz QTFWAEWAQQHWIP-GOSISDBHSA-N 1 0 396.531 3.908 40 0 GHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1 ZINC000038836088 570587143 /nfs/dbraw/zinc/58/71/43/570587143.db2.gz GSWVZUOEOVWGCB-HXUWFJFHSA-N 1 0 377.532 3.881 40 0 GHABRO O=C(NCCSCc1ccco1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038852077 570588334 /nfs/dbraw/zinc/58/83/34/570588334.db2.gz CBXBUCADOLGWSE-QGZVFWFLSA-N 1 0 376.497 3.680 40 0 GHABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2cccnc12 ZINC000225732355 570610779 /nfs/dbraw/zinc/61/07/79/570610779.db2.gz VODKAACKBDCRNE-HZPDHXFCSA-N 1 0 386.565 3.898 40 0 GHABRO COc1cc(OC)c(OC)cc1C[NH+]1CCC(c2cc3cccnc3[nH]2)CC1 ZINC000012133375 570614098 /nfs/dbraw/zinc/61/40/98/570614098.db2.gz NKNOUSSPMCOXDA-UHFFFAOYSA-N 1 0 381.476 3.968 40 0 GHABRO COc1ccc2[nH]c(C[NH+]3CCC4(CC3)NC(=O)c3ccccc3O4)c(C)c2c1 ZINC000012146027 570616765 /nfs/dbraw/zinc/61/67/65/570616765.db2.gz DLXOXRZUCAINER-UHFFFAOYSA-N 1 0 391.471 3.599 40 0 GHABRO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000012199361 570623870 /nfs/dbraw/zinc/62/38/70/570623870.db2.gz ZFRRLGXIPYONAI-OAQYLSRUSA-N 1 0 395.478 3.519 40 0 GHABRO Cc1[nH]c2cc(C)cc(C)c2c1CC(=O)N(CC[NH+](C)C)Cc1cccnc1 ZINC000012222965 570628472 /nfs/dbraw/zinc/62/84/72/570628472.db2.gz IHQHOZVWIIKJNF-UHFFFAOYSA-N 1 0 378.520 3.621 40 0 GHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(C)c(C)c3)CC1)C[C@H]2O ZINC000012293500 570633880 /nfs/dbraw/zinc/63/38/80/570633880.db2.gz ODYPCQLMKNRRSJ-FGZHOGPDSA-N 1 0 397.515 3.696 40 0 GHABRO Cc1cc(C)c(NC(=O)C[NH+]2CCC(n3nnc4ccccc43)CC2)c(C)c1 ZINC000004895184 570637027 /nfs/dbraw/zinc/63/70/27/570637027.db2.gz FTQSCNKYTMDZCS-UHFFFAOYSA-N 1 0 377.492 3.632 40 0 GHABRO COc1ccc2c(C[NH+]3CCC(O)(c4ccccc4OC)CC3)cn(C)c2c1 ZINC000012328837 570643563 /nfs/dbraw/zinc/64/35/63/570643563.db2.gz ONTPOCDLMAGHKC-UHFFFAOYSA-N 1 0 380.488 3.679 40 0 GHABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC000012328812 570643615 /nfs/dbraw/zinc/64/36/15/570643615.db2.gz FKPGSEIHEQFTRG-UHFFFAOYSA-N 1 0 392.478 3.639 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 ZINC000012330151 570644566 /nfs/dbraw/zinc/64/45/66/570644566.db2.gz PLUDDOXJYPWKRH-FCHUYYIVSA-N 1 0 379.500 3.559 40 0 GHABRO COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c(OC)c1 ZINC000053536275 570675058 /nfs/dbraw/zinc/67/50/58/570675058.db2.gz PZERTMSSSVQXRM-GOSISDBHSA-N 1 0 381.476 3.761 40 0 GHABRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCC[NH+]1CCCCCC1 ZINC000010111333 570805758 /nfs/dbraw/zinc/80/57/58/570805758.db2.gz QUXVRCHVDIRXLA-UHFFFAOYSA-N 1 0 379.353 3.679 40 0 GHABRO COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)[NH+](C)C)CC2)cc1 ZINC000257229030 570891471 /nfs/dbraw/zinc/89/14/71/570891471.db2.gz FWJSYLMVJZVMIJ-SKPFHBQLSA-N 1 0 395.547 3.858 40 0 GHABRO CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)[NH+](C)C)CC2)[nH]n1 ZINC000257284230 570902607 /nfs/dbraw/zinc/90/26/07/570902607.db2.gz PBUXOSXRSYECEW-FIKGOQFSSA-N 1 0 383.540 3.767 40 0 GHABRO COCC[N@@H+]1CCC[C@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 ZINC000585100314 570923999 /nfs/dbraw/zinc/92/39/99/570923999.db2.gz JYSGBDDWJXLUAC-QHCPKHFHSA-N 1 0 382.504 3.653 40 0 GHABRO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000328957704 571046860 /nfs/dbraw/zinc/04/68/60/571046860.db2.gz ALCJQXNCBWTYON-UHFFFAOYSA-N 1 0 395.938 3.975 40 0 GHABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000012089237 856419090 /nfs/dbraw/zinc/41/90/90/856419090.db2.gz FRVOJLFGVAITKY-RBUKOAKNSA-N 1 0 384.549 3.798 40 0 GHABRO c1ccc(C[N@H+]2CC[C@H](c3ccc4c(NCc5ccccn5)n[nH]c4n3)C2)cc1 ZINC000019704412 856424578 /nfs/dbraw/zinc/42/45/78/856424578.db2.gz ALTNUSHYSRFLDW-SFHVURJKSA-N 1 0 384.487 3.955 40 0 GHABRO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@@H+]2CCOCc2ccccc2)cc1 ZINC000019713956 856428031 /nfs/dbraw/zinc/42/80/31/856428031.db2.gz FZYZDJJISZRYNC-YTFSRNRJSA-N 1 0 394.515 3.696 40 0 GHABRO CNc1cc(CN(C)Cc2ccc(-c3ccccn3)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760053 856428257 /nfs/dbraw/zinc/42/82/57/856428257.db2.gz UTBIWTFHLWZLSE-NRFANRHFSA-N 1 0 388.519 3.637 40 0 GHABRO CCOc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1OC ZINC000019533861 210258643 /nfs/dbraw/zinc/25/86/43/210258643.db2.gz ZLRUIFLWONTSRR-HXUWFJFHSA-N 1 0 396.535 3.599 40 0 GHABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)o2)CC1 ZINC000019496922 210252797 /nfs/dbraw/zinc/25/27/97/210252797.db2.gz BXVVRUAFIZXWSB-UHFFFAOYSA-N 1 0 383.492 3.590 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CC1 ZINC000019400536 210246808 /nfs/dbraw/zinc/24/68/08/210246808.db2.gz UFDXKTKGIQUDIZ-LAUBAEHRSA-N 1 0 385.458 3.839 40 0 GHABRO OC1(Cn2ccc3ncccc32)CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000019348852 210243375 /nfs/dbraw/zinc/24/33/75/210243375.db2.gz JTTSUFTYDUWJHL-UHFFFAOYSA-N 1 0 387.430 3.665 40 0 GHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3ccc(C)o3)C1)O2 ZINC000019216599 210231092 /nfs/dbraw/zinc/23/10/92/210231092.db2.gz XBGUJROYZQFNJX-MBSDFSHPSA-N 1 0 398.503 3.618 40 0 GHABRO CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)C[NH+]2CCCCCC2)C1 ZINC000012221093 209923484 /nfs/dbraw/zinc/92/34/84/209923484.db2.gz UXJLDXJRIUVTPS-LJQANCHMSA-N 1 0 393.535 3.544 40 0 GHABRO CCCCOc1ccc(C(=O)Nc2cc(N)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000226259979 209186798 /nfs/dbraw/zinc/18/67/98/209186798.db2.gz WCJUPRUJRBWWJL-UHFFFAOYSA-N 1 0 396.535 3.842 40 0 GHABRO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccs4)C2)OC3)cc1 ZINC000306144650 212055899 /nfs/dbraw/zinc/05/58/99/212055899.db2.gz ZKZCBJXPOYXTED-NRFANRHFSA-N 1 0 381.501 3.795 40 0 GHABRO O=S1(=O)N(CC2CC2)c2ccccc2C12CC[NH+](Cc1cccs1)CC2 ZINC000306138107 212052981 /nfs/dbraw/zinc/05/29/81/212052981.db2.gz RPLLTADCPABSQG-UHFFFAOYSA-N 1 0 388.558 3.799 40 0 GHABRO COc1ccccc1C[N@@H+]1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306132023 212049376 /nfs/dbraw/zinc/04/93/76/212049376.db2.gz KVVYTEWGGDAHPE-DEOSSOPVSA-N 1 0 386.499 3.649 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306129169 212047630 /nfs/dbraw/zinc/04/76/30/212047630.db2.gz HWGPXEURTVRUQT-FGZHOGPDSA-N 1 0 393.437 3.848 40 0 GHABRO Cc1nc(COCC[C@H]2CO[C@H]3C[N@H+](Cc4ccccc4F)C[C@@H]23)cs1 ZINC000306125582 212045645 /nfs/dbraw/zinc/04/56/45/212045645.db2.gz CUUOTRMDXFZUOQ-QRFRQXIXSA-N 1 0 376.497 3.644 40 0 GHABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2cccc(OC)c2)Cc2ccccc21 ZINC000306125745 212044818 /nfs/dbraw/zinc/04/48/18/212044818.db2.gz DARSXGCQVMKTLR-QFIPXVFZSA-N 1 0 377.488 3.686 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)cc1 ZINC000306126437 212044929 /nfs/dbraw/zinc/04/49/29/212044929.db2.gz DVWXTTQKPJHZCK-NRFANRHFSA-N 1 0 381.501 3.795 40 0 GHABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnnc1 ZINC000257325235 212026602 /nfs/dbraw/zinc/02/66/02/212026602.db2.gz WSALVUGXWNVWQT-CFKFVRPNSA-N 1 0 390.531 3.565 40 0 GHABRO O=C1N(Cc2ccc(F)cc2)CC=CCC12CC[NH+](Cc1ccccn1)CC2 ZINC000257314233 212023768 /nfs/dbraw/zinc/02/37/68/212023768.db2.gz UVYMUROVHPAWCF-UHFFFAOYSA-N 1 0 379.479 3.792 40 0 GHABRO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCC[NH+](C)C)CCOCC3)c2)c1 ZINC000257292299 212018821 /nfs/dbraw/zinc/01/88/21/212018821.db2.gz QKWFZNYHYJHWQK-UHFFFAOYSA-N 1 0 394.559 3.988 40 0 GHABRO Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)C2(C)CC[NH+](C)CC2)nc1 ZINC000257277698 212016378 /nfs/dbraw/zinc/01/63/78/212016378.db2.gz NZAZQGROKLPRFA-IBGZPJMESA-N 1 0 382.508 3.749 40 0 GHABRO CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329047233 209160127 /nfs/dbraw/zinc/16/01/27/209160127.db2.gz UFPZHTXKRNDAKW-UHFFFAOYSA-N 1 0 380.492 3.743 40 0 GHABRO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000257220678 212004794 /nfs/dbraw/zinc/00/47/94/212004794.db2.gz DLRSOXUXVISPDO-OAHLLOKOSA-N 1 0 382.533 3.763 40 0 GHABRO COC(=O)c1ccc2c(c1)CCN(c1cc(C(C)C)[nH+]c(NC3CCCC3)n1)C2 ZINC000329016869 209157258 /nfs/dbraw/zinc/15/72/58/209157258.db2.gz NJKBTPQQWBVGKZ-UHFFFAOYSA-N 1 0 394.519 3.726 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223289297 211827696 /nfs/dbraw/zinc/82/76/96/211827696.db2.gz FMBLUBSTGDJFPA-LEWJYISDSA-N 1 0 397.592 3.922 40 0 GHABRO O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000096245556 211325000 /nfs/dbraw/zinc/32/50/00/211325000.db2.gz ZZHAEMLSMFOZCD-PSWAGMNNSA-N 1 0 383.495 3.953 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)Cc4cccnc4)CC3)CC2)s1 ZINC000096047332 211296896 /nfs/dbraw/zinc/29/68/96/211296896.db2.gz QRVLNFFTVOYUEQ-UHFFFAOYSA-N 1 0 383.561 3.899 40 0 GHABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccco1)CC2 ZINC000096037026 211297024 /nfs/dbraw/zinc/29/70/24/211297024.db2.gz CUSXHRIGVHOCBL-UHFFFAOYSA-N 1 0 376.504 3.970 40 0 GHABRO COc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccco3)CC2)cc1 ZINC000096037070 211295730 /nfs/dbraw/zinc/29/57/30/211295730.db2.gz GDZNDBWYEZFRIM-UHFFFAOYSA-N 1 0 392.503 3.588 40 0 GHABRO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000072363109 211102699 /nfs/dbraw/zinc/10/26/99/211102699.db2.gz HHSAHFYVMVQBOV-LJQANCHMSA-N 1 0 394.519 3.851 40 0 GHABRO Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc(Nc3ccccn3)cc(C)[nH+]2)C1 ZINC000072374950 211106489 /nfs/dbraw/zinc/10/64/89/211106489.db2.gz SGJTULPHFFZGOV-KRWDZBQOSA-N 1 0 390.491 3.590 40 0 GHABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000072347845 211095382 /nfs/dbraw/zinc/09/53/82/211095382.db2.gz XAGSJYHYDVUZIM-WMZOPIPTSA-N 1 0 394.471 3.839 40 0 GHABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)cc(C(F)(F)F)n2n1 ZINC000072340874 211093281 /nfs/dbraw/zinc/09/32/81/211093281.db2.gz UFHIJEWXNNYJLS-CQSZACIVSA-N 1 0 375.398 3.831 40 0 GHABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccccn4)C3)cc(C(F)(F)F)n2n1 ZINC000072340875 211092651 /nfs/dbraw/zinc/09/26/51/211092651.db2.gz UFHIJEWXNNYJLS-AWEZNQCLSA-N 1 0 375.398 3.831 40 0 GHABRO COc1ccccc1Oc1cncc([C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)n1 ZINC000072362583 211100316 /nfs/dbraw/zinc/10/03/16/211100316.db2.gz ZTXZTPCTGYPCMP-KRWDZBQOSA-N 1 0 393.491 3.699 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361006 211100064 /nfs/dbraw/zinc/10/00/64/211100064.db2.gz OVHIICIHPITGSA-HNNXBMFYSA-N 1 0 388.496 3.933 40 0 GHABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)CC(C)(C)C1 ZINC000035338764 210678568 /nfs/dbraw/zinc/67/85/68/210678568.db2.gz SKTOVRLIDRMZIZ-IOMROCGXSA-N 1 0 378.532 3.540 40 0 GHABRO CC(C)(C[NH+]1CCCCC1)NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000019715333 210285178 /nfs/dbraw/zinc/28/51/78/210285178.db2.gz HNNHORRRNKWNSF-UHFFFAOYSA-N 1 0 391.466 3.539 40 0 GHABRO CN(Cc1cc(C2CC[NH2+]CC2)nn1C)C(=O)c1ccccc1-c1ccccc1 ZINC000019710202 210285191 /nfs/dbraw/zinc/28/51/91/210285191.db2.gz OCXHRSAGHVLNAQ-UHFFFAOYSA-N 1 0 388.515 3.826 40 0 GHABRO Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCNC3)C1 ZINC000019710974 210286996 /nfs/dbraw/zinc/28/69/96/210286996.db2.gz JLGDMVAUPJTTCX-GOSISDBHSA-N 1 0 391.494 3.567 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cn1 ZINC000019689961 210281808 /nfs/dbraw/zinc/28/18/08/210281808.db2.gz HHPJGARXYWVPMU-FQEVSTJZSA-N 1 0 394.498 3.902 40 0 GHABRO CCc1ccc(C(=O)Nc2cc(N3CC[NH+](CC)CC3)c(N)cc2Cl)cc1 ZINC000072229159 136167669 /nfs/dbraw/zinc/16/76/69/136167669.db2.gz DJUBIPNLCOYAET-UHFFFAOYSA-N 1 0 386.927 3.879 40 0 GHABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1N1CCCCC1 ZINC000004926767 136194329 /nfs/dbraw/zinc/19/43/29/136194329.db2.gz YEEBKFKARUOMBI-UHFFFAOYSA-N 1 0 384.568 3.566 40 0 GHABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113951802 536044661 /nfs/dbraw/zinc/04/46/61/536044661.db2.gz MPGATPNFHOYLLJ-NRFANRHFSA-N 1 0 381.520 3.851 40 0 GHABRO CCOCCOc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C)cc2C)cc1 ZINC000585269795 570238938 /nfs/dbraw/zinc/23/89/38/570238938.db2.gz JXWNYXGEKSSCKM-NRFANRHFSA-N 1 0 387.520 3.590 40 0 GHABRO CC(=O)N1CCCC[C@@H]2[C@H]1CCC[N@@H+]2C[C@@]1(O)CC[C@H](c2ccccc2)CC1 ZINC000585282563 570250445 /nfs/dbraw/zinc/25/04/45/570250445.db2.gz GZIFNQPUDSPNCF-YCAMKHIRSA-N 1 0 384.564 3.941 40 0 GHABRO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 ZINC000021123131 570291422 /nfs/dbraw/zinc/29/14/22/570291422.db2.gz LQZPQELOMSFSDW-LJQANCHMSA-N 1 0 381.863 3.594 40 0 GHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCc3ccccc3)o2)c1 ZINC000022108507 570325658 /nfs/dbraw/zinc/32/56/58/570325658.db2.gz OBIKZOKZKALTBM-UHFFFAOYSA-N 1 0 393.439 3.852 40 0 GHABRO CC(=O)c1ccc(-n2cccc2CN(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000022913990 570334809 /nfs/dbraw/zinc/33/48/09/570334809.db2.gz GUPJEGHSYPVKBJ-UHFFFAOYSA-N 1 0 376.504 3.639 40 0 GHABRO O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000027633028 570437689 /nfs/dbraw/zinc/43/76/89/570437689.db2.gz UCSZPYGKDXMROZ-UHFFFAOYSA-N 1 0 379.504 3.761 40 0 GHABRO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039763886 570446147 /nfs/dbraw/zinc/44/61/47/570446147.db2.gz TZSSOPHVTLXPKM-UHFFFAOYSA-N 1 0 384.495 3.795 40 0 GHABRO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039762396 570446201 /nfs/dbraw/zinc/44/62/01/570446201.db2.gz HHCBMQLBWLYNHW-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO Cc1cccc(C)c1NC(=O)C[N@H+](CC(C)C)C[C@H](O)COc1ccccc1 ZINC000006523150 570482696 /nfs/dbraw/zinc/48/26/96/570482696.db2.gz MNXKPHJMSHXNDP-FQEVSTJZSA-N 1 0 384.520 3.640 40 0 GHABRO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224779317 570530485 /nfs/dbraw/zinc/53/04/85/570530485.db2.gz IKJYDIVGTDMGPA-QFIPXVFZSA-N 1 0 382.504 3.765 40 0 GHABRO Cn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)ccc21 ZINC000225056112 570545761 /nfs/dbraw/zinc/54/57/61/570545761.db2.gz ZRRZQDBOMWTYFY-UHFFFAOYSA-N 1 0 399.491 3.590 40 0 GHABRO Cn1c(=O)sc2cc(NC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000225064957 570546125 /nfs/dbraw/zinc/54/61/25/570546125.db2.gz FJPZEUNGJPKSEI-HNNXBMFYSA-N 1 0 399.491 3.590 40 0 GHABRO Fc1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1Cl ZINC000225211108 570556685 /nfs/dbraw/zinc/55/66/85/570556685.db2.gz YAHRMKGDKOFPBY-UHFFFAOYSA-N 1 0 389.927 3.961 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010544219 570571759 /nfs/dbraw/zinc/57/17/59/570571759.db2.gz VMIBWXNUBREBGJ-AWEZNQCLSA-N 1 0 379.353 3.926 40 0 GHABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000012238260 570629433 /nfs/dbraw/zinc/62/94/33/570629433.db2.gz TVILTQQKOHVDCU-UHFFFAOYSA-N 1 0 393.531 3.926 40 0 GHABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012293443 570633687 /nfs/dbraw/zinc/63/36/87/570633687.db2.gz PXLLNBNSXKKVJZ-VXKWHMMOSA-N 1 0 381.516 3.996 40 0 GHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012293444 570633714 /nfs/dbraw/zinc/63/37/14/570633714.db2.gz PXLLNBNSXKKVJZ-FCHUYYIVSA-N 1 0 381.516 3.996 40 0 GHABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(C)c(C)c3)CC1)O2 ZINC000012293549 570633717 /nfs/dbraw/zinc/63/37/17/570633717.db2.gz HFIBPYNGULSOGC-FCHUYYIVSA-N 1 0 381.516 3.996 40 0 GHABRO COc1ccc2[nH]c(C[NH+]3CCC(O)(c4ccccc4OC)CC3)c(C)c2c1 ZINC000012292928 570633933 /nfs/dbraw/zinc/63/39/33/570633933.db2.gz RUPMZCCPHFAJOP-UHFFFAOYSA-N 1 0 380.488 3.977 40 0 GHABRO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044852591 570636208 /nfs/dbraw/zinc/63/62/08/570636208.db2.gz JULNHOGUGNQMSV-GOSISDBHSA-N 1 0 384.495 3.930 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2cc3ccccc3nc2N(C)C)CC1 ZINC000012328282 570643664 /nfs/dbraw/zinc/64/36/64/570643664.db2.gz VTTJLAIMEGERMD-UHFFFAOYSA-N 1 0 391.515 3.793 40 0 GHABRO Cc1ccc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)s1 ZINC000012667167 570696945 /nfs/dbraw/zinc/69/69/45/570696945.db2.gz VVYQUUYAENTLLC-UHFFFAOYSA-N 1 0 380.473 3.932 40 0 GHABRO Cc1cc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)ccc1N1CCCC1=O ZINC000260732782 570701039 /nfs/dbraw/zinc/70/10/39/570701039.db2.gz BEXHBEVMXVGZRC-INIZCTEOSA-N 1 0 388.581 3.530 40 0 GHABRO CCOc1c(Br)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OC ZINC000008253357 570765987 /nfs/dbraw/zinc/76/59/87/570765987.db2.gz OTXODVKVJYMSGW-UHFFFAOYSA-N 1 0 394.265 3.875 40 0 GHABRO O=C(C[NH2+]CCc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000015935906 570909305 /nfs/dbraw/zinc/90/93/05/570909305.db2.gz NDGFAGDJRHNKJL-UHFFFAOYSA-N 1 0 399.922 3.737 40 0 GHABRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)ccc1O ZINC000019569218 570927929 /nfs/dbraw/zinc/92/79/29/570927929.db2.gz QLSDPSXDBKELMS-WCAVRKLYSA-N 1 0 383.488 3.529 40 0 GHABRO Cc1nc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)s1 ZINC000585103681 570929241 /nfs/dbraw/zinc/92/92/41/570929241.db2.gz FHFOLQGTXVVVGM-JTSKRJEESA-N 1 0 399.560 3.572 40 0 GHABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000585103012 570931665 /nfs/dbraw/zinc/93/16/65/570931665.db2.gz KXKUWWGNCDYQCC-IBGZPJMESA-N 1 0 376.566 3.544 40 0 GHABRO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)C[C@@H]21 ZINC000585109758 570938017 /nfs/dbraw/zinc/93/80/17/570938017.db2.gz PRVLDNCWPJEHOT-WPFOTENUSA-N 1 0 378.516 3.843 40 0 GHABRO O=C(c1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238934031 570981419 /nfs/dbraw/zinc/98/14/19/570981419.db2.gz VIGJAYYCTYTHJJ-IBGZPJMESA-N 1 0 385.305 3.722 40 0 GHABRO CCN(C(=O)c1cc(-c2ccccc2OC)n[nH]1)[C@@H]1C[NH2+]C2(C1)CCCCC2 ZINC000019703894 856424857 /nfs/dbraw/zinc/42/48/57/856424857.db2.gz DWBJIJJBFWTSME-INIZCTEOSA-N 1 0 382.508 3.612 40 0 GHABRO CCN(C(=O)c1scnc1C)[C@H]1CCO[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019711841 856425774 /nfs/dbraw/zinc/42/57/74/856425774.db2.gz XMQOUVNVWCPIKG-RBUKOAKNSA-N 1 0 387.549 3.896 40 0 GHABRO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000019739193 856428003 /nfs/dbraw/zinc/42/80/03/856428003.db2.gz MHCMIALISSRTFU-HSZRJFAPSA-N 1 0 392.503 3.527 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)c1 ZINC000019712744 860328588 /nfs/dbraw/zinc/32/85/88/860328588.db2.gz SLIFMZPZERNBER-XJUOHMSHSA-N 1 0 382.479 3.861 40 0 GHABRO CCCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000248195404 870313550 /nfs/dbraw/zinc/31/35/50/870313550.db2.gz OXYYHSFARQYGBZ-JXHRLWIKSA-N 1 0 381.520 3.557 40 0 GHABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248289311 870324584 /nfs/dbraw/zinc/32/45/84/870324584.db2.gz JALDVPLLLKZRIJ-JPYJTQIMSA-N 1 0 398.503 3.566 40 0 GHABRO CCOCc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000019531193 210258809 /nfs/dbraw/zinc/25/88/09/210258809.db2.gz JIXVYRVGYVHUOQ-LEEZEASISA-N 1 0 396.531 3.665 40 0 GHABRO CCn1cc([C@@H](NC(=O)[C@H]([NH3+])CC(C)C)c2ccc(F)cc2)c2ccncc21 ZINC000019524811 210256668 /nfs/dbraw/zinc/25/66/68/210256668.db2.gz APMNGZJCEGBCIP-CTNGQTDRSA-N 1 0 382.483 3.774 40 0 GHABRO C[C@H]1CCC[N@H+](CCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 ZINC000019496557 210251974 /nfs/dbraw/zinc/25/19/74/210251974.db2.gz VLSBJEDRSOHLOX-KRWDZBQOSA-N 1 0 380.536 3.645 40 0 GHABRO CC(=O)N1CCc2nc(C3CC[NH+](CC[C@@H](C)c4ccccc4)CC3)ncc2C1 ZINC000019455638 210250868 /nfs/dbraw/zinc/25/08/68/210250868.db2.gz BEEFFXZQARXIPR-GOSISDBHSA-N 1 0 392.547 3.754 40 0 GHABRO O=S(=O)(c1ccc(Cl)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408605845 231077837 /nfs/dbraw/zinc/07/78/37/231077837.db2.gz GXLWMQOETRTSMD-UHFFFAOYSA-N 1 0 390.936 3.551 40 0 GHABRO O=C1N[C@@]2(COC3(C2)CC[NH+](Cc2ccc(Cl)cc2)CC3)Nc2ccccc21 ZINC000019374621 210247171 /nfs/dbraw/zinc/24/71/71/210247171.db2.gz XEMDNJYTPCRCCG-QFIPXVFZSA-N 1 0 397.906 3.647 40 0 GHABRO O=c1cc(C[C@@H]([NH2+]Cc2ccncc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 ZINC000019332477 210242425 /nfs/dbraw/zinc/24/24/25/210242425.db2.gz RIEQZGPFWQZDAJ-HXUWFJFHSA-N 1 0 378.451 3.645 40 0 GHABRO O=C(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1)[C@H]1CCCO1 ZINC000019332825 210242203 /nfs/dbraw/zinc/24/22/03/210242203.db2.gz JWAKBCGJSVFDGY-LJQANCHMSA-N 1 0 376.928 3.521 40 0 GHABRO Cn1ccnc1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019291181 210237413 /nfs/dbraw/zinc/23/74/13/210237413.db2.gz HISDHZJSKBUWOC-SFTDATJTSA-N 1 0 392.478 3.602 40 0 GHABRO COc1cccc(C[NH2+][C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 ZINC000019285348 210234760 /nfs/dbraw/zinc/23/47/60/210234760.db2.gz NNXPPIQWAISCQR-HXUWFJFHSA-N 1 0 383.879 3.814 40 0 GHABRO CC1CC[NH+](CCCNC(=O)CSCc2ccccc2Br)CC1 ZINC000013671995 210077234 /nfs/dbraw/zinc/07/72/34/210077234.db2.gz YODXEQBNPGIHSJ-UHFFFAOYSA-N 1 0 399.398 3.921 40 0 GHABRO CC(C)Cc1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)[nH]n1 ZINC000257199190 209223628 /nfs/dbraw/zinc/22/36/28/209223628.db2.gz WDALTMWEEOLIFO-GKJHBJHPSA-N 1 0 382.552 3.643 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 ZINC000306142230 212054545 /nfs/dbraw/zinc/05/45/45/212054545.db2.gz WUDZTUKKSFDMMR-HSZRJFAPSA-N 1 0 393.462 3.873 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 ZINC000306139700 212052729 /nfs/dbraw/zinc/05/27/29/212052729.db2.gz TXYROJXOXSRKAE-NHCUHLMSSA-N 1 0 393.512 3.640 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)cc1 ZINC000306124717 212044772 /nfs/dbraw/zinc/04/47/72/212044772.db2.gz BXODMCHKGILMOF-DEOSSOPVSA-N 1 0 386.499 3.649 40 0 GHABRO C[C@@]12C[C@H]3CN(C(=O)c4ccnc(Cc5ccccc5)c4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257338285 212027474 /nfs/dbraw/zinc/02/74/74/212027474.db2.gz YWSVRIOEGCOOLF-YCSHWKNNSA-N 1 0 375.516 3.808 40 0 GHABRO Cc1c[nH]c(-c2cc(C)nc(CC3CC[NH+](Cc4scnc4C)CC3)n2)n1 ZINC000257311836 212022090 /nfs/dbraw/zinc/02/20/90/212022090.db2.gz ULEVETHQYDBNSE-UHFFFAOYSA-N 1 0 382.537 3.703 40 0 GHABRO O=C1CO[C@@]2(CN1Cc1ccccc1)CCC[N@@H+](CCc1ccc(F)cc1)CC2 ZINC000257294189 212018398 /nfs/dbraw/zinc/01/83/98/212018398.db2.gz QSZXGFDSZMQCGN-DEOSSOPVSA-N 1 0 396.506 3.652 40 0 GHABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4cnccn4)C3)c2)c1 ZINC000257250282 212010656 /nfs/dbraw/zinc/01/06/56/212010656.db2.gz JLXFJXMUXRQHEL-MRXNPFEDSA-N 1 0 389.459 3.562 40 0 GHABRO CC(C)[NH+]1CCC(c2cncc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 ZINC000257211359 212003396 /nfs/dbraw/zinc/00/33/96/212003396.db2.gz BYPBBSIKQOTTIH-LJQANCHMSA-N 1 0 380.492 3.632 40 0 GHABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cncnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257200671 212002115 /nfs/dbraw/zinc/00/21/15/212002115.db2.gz AEKOYVMIBCTQRN-QMDPOKHVSA-N 1 0 390.531 3.565 40 0 GHABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000328991920 209156558 /nfs/dbraw/zinc/15/65/58/209156558.db2.gz ITAOVVWWGIPLBZ-CYBMUJFWSA-N 1 0 389.341 3.997 40 0 GHABRO FC(F)(F)c1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000225214446 211888277 /nfs/dbraw/zinc/88/82/77/211888277.db2.gz CXZXAEPDXUKFQU-UHFFFAOYSA-N 1 0 387.471 3.635 40 0 GHABRO COc1ccc([N+]2=C3CCCCCN3[C@@](O)(c3ccc(C)cc3)C2)c(OC)c1 ZINC000027525160 211852262 /nfs/dbraw/zinc/85/22/62/211852262.db2.gz FYPFSQDJAQMJNA-QHCPKHFHSA-N 1 0 381.496 3.663 40 0 GHABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1C1CC1 ZINC000223216705 211824520 /nfs/dbraw/zinc/82/45/20/211824520.db2.gz YXRSYWQDIPPBOI-NHCUHLMSSA-N 1 0 397.592 3.759 40 0 GHABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)C[C@H]3CC=CCC3)CC2)nn1C ZINC000100687632 211388468 /nfs/dbraw/zinc/38/84/68/211388468.db2.gz GNNXCBYQKMCCHR-PCCBWWKXSA-N 1 0 386.584 3.960 40 0 GHABRO CC(C)CC[N@@H+]1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 ZINC000096260618 211326879 /nfs/dbraw/zinc/32/68/79/211326879.db2.gz ZFVJWMHPGWRKTQ-UHFFFAOYSA-N 1 0 384.568 3.586 40 0 GHABRO O=C(c1ccncc1)N1C[C@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000096245558 211325277 /nfs/dbraw/zinc/32/52/77/211325277.db2.gz ZZHAEMLSMFOZCD-DNQXCXABSA-N 1 0 383.495 3.953 40 0 GHABRO Cc1cccc(NC(=O)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096239947 211323059 /nfs/dbraw/zinc/32/30/59/211323059.db2.gz RBUIYVVDBKJRLE-UHFFFAOYSA-N 1 0 394.519 3.537 40 0 GHABRO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096056044 211298573 /nfs/dbraw/zinc/29/85/73/211298573.db2.gz YLNLDOMBXRJIQZ-AVRDEDQJSA-N 1 0 399.560 3.733 40 0 GHABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC000096052983 211296888 /nfs/dbraw/zinc/29/68/88/211296888.db2.gz ZUTNPKCCPRESHA-SFHVURJKSA-N 1 0 393.531 3.981 40 0 GHABRO O=C(CCC[NH+]1CCCC1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000072363110 211103334 /nfs/dbraw/zinc/10/33/34/211103334.db2.gz HHSAHFYVMVQBOV-IBGZPJMESA-N 1 0 394.519 3.851 40 0 GHABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+](Cc4cnc(C)nc4)C3)cc2n1 ZINC000072397142 211111969 /nfs/dbraw/zinc/11/19/69/211111969.db2.gz ZVJZETCGGDMJDI-HNNXBMFYSA-N 1 0 390.413 3.535 40 0 GHABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000072346046 211094951 /nfs/dbraw/zinc/09/49/51/211094951.db2.gz VWKWOVQMKZPUOL-LJQANCHMSA-N 1 0 393.535 3.584 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072358191 211099182 /nfs/dbraw/zinc/09/91/82/211099182.db2.gz XFEIFFYTTVTGNO-QHCPKHFHSA-N 1 0 381.495 3.959 40 0 GHABRO CCOc1ccc([C@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCCC3)cc1 ZINC000022408625 210412062 /nfs/dbraw/zinc/41/20/62/210412062.db2.gz QPAXDTOGGZZFBW-HSZRJFAPSA-N 1 0 381.496 3.744 40 0 GHABRO CCOc1ccc(CCC(=O)NCCC[NH+]2CCC(C)CC2)cc1OCC ZINC000020489449 210341415 /nfs/dbraw/zinc/34/14/15/210341415.db2.gz SNWUUXWQOBMWEO-UHFFFAOYSA-N 1 0 376.541 3.655 40 0 GHABRO C[C@H]1CCc2nc(NC(=O)CC3CC[NH+](Cc4ccccn4)CC3)sc2C1 ZINC000019748773 210293847 /nfs/dbraw/zinc/29/38/47/210293847.db2.gz QBZZVXXKBPPSFD-HNNXBMFYSA-N 1 0 384.549 3.904 40 0 GHABRO CCn1c2ccc(-c3cncn3C[C@H](C)[NH+]3CCCCC3)cc2n(CC)c1=O ZINC000019719632 210289129 /nfs/dbraw/zinc/28/91/29/210289129.db2.gz NDAGXYWUFYUPQN-KRWDZBQOSA-N 1 0 381.524 3.581 40 0 GHABRO CC1CCN(c2ccc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000019715584 210287732 /nfs/dbraw/zinc/28/77/32/210287732.db2.gz OJWYDOJKWOMFGU-UHFFFAOYSA-N 1 0 392.547 3.712 40 0 GHABRO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000019690122 210281929 /nfs/dbraw/zinc/28/19/29/210281929.db2.gz KVIZXDDEOLWRFE-LJQANCHMSA-N 1 0 396.926 3.934 40 0 GHABRO Cc1cc(C)n(-c2ccc(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4)C3)cc2)n1 ZINC000019656077 210277163 /nfs/dbraw/zinc/27/71/63/210277163.db2.gz WTKUVCKZCKMHDO-JOCHJYFZSA-N 1 0 388.515 3.708 40 0 GHABRO C[NH+]1CCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn42)CCCC3)CC1 ZINC000004980658 536417757 /nfs/dbraw/zinc/41/77/57/536417757.db2.gz ORWAODNCLAZUOX-UHFFFAOYSA-N 1 0 381.911 3.680 40 0 GHABRO CN1CCC([NH2+][C@H]2C[C@@H](Cc3cc(COc4ccccc4)on3)C2(C)C)CC1 ZINC000067889987 560050143 /nfs/dbraw/zinc/05/01/43/560050143.db2.gz QYTZYOQFYILGIJ-VGSWGCGISA-N 1 0 383.536 3.895 40 0 biogenic,in-vitro GHABRO CC(=O)Nc1ccc(C[NH2+]C[C@H]2Cn3cc(-c4ccc(C)cc4)nc3CO2)cc1 ZINC000096296306 560060293 /nfs/dbraw/zinc/06/02/93/560060293.db2.gz RKQYCLPYADBVPL-NRFANRHFSA-N 1 0 390.487 3.506 40 0 biogenic,in-vitro GHABRO Cc1cnc(Nc2cncc(C3CC[NH+](Cc4ccc(F)cc4)CC3)n2)s1 ZINC000585262641 570230778 /nfs/dbraw/zinc/23/07/78/570230778.db2.gz MQRJGGWXLIBREG-UHFFFAOYSA-N 1 0 383.496 3.926 40 0 GHABRO [NH3+][C@H]1CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1 ZINC000209730730 570308296 /nfs/dbraw/zinc/30/82/96/570308296.db2.gz MCUJKPPARUPFJM-IQFISFIMSA-N 1 0 379.485 3.605 40 0 in-man GHABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022446609 570317238 /nfs/dbraw/zinc/31/72/38/570317238.db2.gz BJWLIQNCLGRWFV-KELGSRBJSA-N 1 0 388.596 3.643 40 0 GHABRO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(C)c1Cl ZINC000023586858 570366461 /nfs/dbraw/zinc/36/64/61/570366461.db2.gz QSEVKSZRTJEOGY-IBGZPJMESA-N 1 0 392.902 3.658 40 0 GHABRO Cc1cccc(N2CC[NH+](C[C@H](O)COc3cccc4ccccc43)CC2)c1 ZINC000027386127 570434196 /nfs/dbraw/zinc/43/41/96/570434196.db2.gz LYVGGIYZANVOGQ-QFIPXVFZSA-N 1 0 376.500 3.710 40 0 GHABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1C(C)C ZINC000223263756 570454191 /nfs/dbraw/zinc/45/41/91/570454191.db2.gz QGIFHVCJTHMERA-UXHICEINSA-N 1 0 385.581 3.615 40 0 GHABRO C[NH+](C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 ZINC000242939743 570457239 /nfs/dbraw/zinc/45/72/39/570457239.db2.gz HATMDOJFAACEDE-UHFFFAOYSA-N 1 0 377.448 3.589 40 0 GHABRO CCn1c2ccccc2c2cc(C[NH2+]CCCSc3nnnn3C)ccc21 ZINC000006871180 570497518 /nfs/dbraw/zinc/49/75/18/570497518.db2.gz ISBCGLKSTINNFF-UHFFFAOYSA-N 1 0 380.521 3.610 40 0 GHABRO O=C(NCCOc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224537412 570517182 /nfs/dbraw/zinc/51/71/82/570517182.db2.gz FLNAVERYOIEFJF-UHFFFAOYSA-N 1 0 390.886 3.886 40 0 GHABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000038831762 570584594 /nfs/dbraw/zinc/58/45/94/570584594.db2.gz CWIVQUCZXIXLSY-UHFFFAOYSA-N 1 0 388.515 3.847 40 0 GHABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccncc2)C1)C1CCCC1 ZINC000012089240 570607325 /nfs/dbraw/zinc/60/73/25/570607325.db2.gz ROSVHNIZALBHPU-OALUTQOASA-N 1 0 384.549 3.798 40 0 GHABRO COc1cc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cc(OC)c1O ZINC000012187106 570621406 /nfs/dbraw/zinc/62/14/06/570621406.db2.gz XGDPDHWOBTYOJX-GOSISDBHSA-N 1 0 375.440 3.730 40 0 GHABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccc(OC)cc2OC)C3)cc1 ZINC000012238581 570629368 /nfs/dbraw/zinc/62/93/68/570629368.db2.gz IEALMRCOFOJSRK-VXMMSVGHSA-N 1 0 397.515 3.832 40 0 GHABRO Cc1nc2cc(C(F)(F)F)ccc2n1C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000004858302 570639250 /nfs/dbraw/zinc/63/92/50/570639250.db2.gz IHIHIQPIWTWLQG-UHFFFAOYSA-N 1 0 394.441 3.623 40 0 GHABRO Fc1cccc(C[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 ZINC000012407913 570654848 /nfs/dbraw/zinc/65/48/48/570654848.db2.gz FZYIFAZKXHFXRQ-JKSUJKDBSA-N 1 0 383.393 3.617 40 0 GHABRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000010544113 570792073 /nfs/dbraw/zinc/79/20/73/570792073.db2.gz HOLGDQLYFNAQHI-KBPBESRZSA-N 1 0 393.380 3.781 40 0 GHABRO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000189129067 570923793 /nfs/dbraw/zinc/92/37/93/570923793.db2.gz SJTCTTFQKUIIJK-UHFFFAOYSA-N 1 0 395.950 3.683 40 0 GHABRO CCCC[C@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502162 570927249 /nfs/dbraw/zinc/92/72/49/570927249.db2.gz HQHPYWFZAPQPGI-LJQANCHMSA-N 1 0 388.585 3.574 40 0 GHABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)cc1F ZINC000585104552 570932867 /nfs/dbraw/zinc/93/28/67/570932867.db2.gz QDFVENMSQUKVPV-PXNSSMCTSA-N 1 0 388.527 3.877 40 0 GHABRO Cc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1Br ZINC000228933625 570952001 /nfs/dbraw/zinc/95/20/01/570952001.db2.gz IOLUPBWNYYWGHG-UHFFFAOYSA-N 1 0 387.285 3.565 40 0 GHABRO COc1ccc2c(c1)C(=O)N[C@]1(CC[N@@H+]([C@@H](C)Cc3ccccc3F)C1)CC2 ZINC000019456887 856421315 /nfs/dbraw/zinc/42/13/15/856421315.db2.gz OVBSVHJFZZWAJS-HJPURHCSSA-N 1 0 382.479 3.586 40 0 GHABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000019701951 856424823 /nfs/dbraw/zinc/42/48/23/856424823.db2.gz HQDXEIPXDVCJRC-QGZVFWFLSA-N 1 0 395.528 3.662 40 0 GHABRO C[N@@H+]1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1cc(C2CC2)n[nH]1 ZINC000019712959 856427543 /nfs/dbraw/zinc/42/75/43/856427543.db2.gz JVZQBCDFKNFIOB-PTUXOGIPSA-N 1 0 392.547 3.987 40 0 GHABRO Cc1ccc(C=[N+]2NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000205828976 856455454 /nfs/dbraw/zinc/45/54/54/856455454.db2.gz KEXUBAAEDQNOSR-DZAWMCJLSA-O 1 0 384.459 3.851 40 0 GHABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242543552 862963722 /nfs/dbraw/zinc/96/37/22/862963722.db2.gz KFKQMMJQLBWYJP-XUVXKRRUSA-N 1 0 393.936 3.570 40 0 GHABRO COc1ccc(C[NH+]2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c(C)c1C ZINC000019577310 210267760 /nfs/dbraw/zinc/26/77/60/210267760.db2.gz CWYVEXGMYWEFRO-QHCPKHFHSA-N 1 0 381.520 3.796 40 0 GHABRO COc1cc(C)c(C[NH+]2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1C ZINC000019567264 210265693 /nfs/dbraw/zinc/26/56/93/210265693.db2.gz ALEWXPPXXSTKKP-QHCPKHFHSA-N 1 0 381.520 3.796 40 0 GHABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)C3CCC3)c3ccccn3)CC2)cc1 ZINC000019554947 210261964 /nfs/dbraw/zinc/26/19/64/210261964.db2.gz FENXDSZYDKATNN-QHCPKHFHSA-N 1 0 393.531 3.960 40 0 GHABRO CCC[NH+]1CCC(C[C@H]2CC(c3ccccc3F)=NO2)(C(=O)OCC)CC1 ZINC000019502611 210255313 /nfs/dbraw/zinc/25/53/13/210255313.db2.gz MXVCELVNMGKYEC-MRXNPFEDSA-N 1 0 376.472 3.764 40 0 GHABRO C[C@@H](CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C)n1cccn1 ZINC000019455341 210250234 /nfs/dbraw/zinc/25/02/34/210250234.db2.gz AQUOZXHNLLMIJK-JDLLUZBXSA-N 1 0 398.526 3.842 40 0 GHABRO COc1ccc(C2([NH2+]Cc3cn(CC(=O)NC(C)C)c4ccccc34)CC2)cc1 ZINC000019449939 210248530 /nfs/dbraw/zinc/24/85/30/210248530.db2.gz BALGHFOHLPYRSO-UHFFFAOYSA-N 1 0 391.515 3.953 40 0 GHABRO O=c1cc(C[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)nc(-c2ccccn2)[nH]1 ZINC000019372689 210247043 /nfs/dbraw/zinc/24/70/43/210247043.db2.gz MFVKFGCGCATWQV-JOCHJYFZSA-N 1 0 382.467 3.906 40 0 GHABRO Cn1c(CC[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)nc2ccccc21 ZINC000019289923 210237768 /nfs/dbraw/zinc/23/77/68/210237768.db2.gz DNVVZRZFDSZDBA-UHFFFAOYSA-N 1 0 392.890 3.914 40 0 GHABRO Cn1ccnc1[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019291183 210237373 /nfs/dbraw/zinc/23/73/73/210237373.db2.gz HISDHZJSKBUWOC-RTWAWAEBSA-N 1 0 392.478 3.602 40 0 GHABRO COc1ccc(C[NH2+][C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1 ZINC000019285344 210236099 /nfs/dbraw/zinc/23/60/99/210236099.db2.gz PHNUZUYDHUMHEK-HXUWFJFHSA-N 1 0 383.879 3.814 40 0 GHABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCCN(C(=O)Cc4cccc(C)c4)[C@@H]32)cc1 ZINC000019234775 210233679 /nfs/dbraw/zinc/23/36/79/210233679.db2.gz PFSRJVKZDMAKFB-CQOQZXRMSA-N 1 0 378.516 3.635 40 0 GHABRO O=C(N1CCC(CC[NH+]2CCCC2)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001759876 209338827 /nfs/dbraw/zinc/33/88/27/209338827.db2.gz BPJINWDVHHFZOX-UHFFFAOYSA-N 1 0 392.543 3.647 40 0 GHABRO O=C(CCC[NH+]1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O)c1ccccc1 ZINC000001640722 209335522 /nfs/dbraw/zinc/33/55/22/209335522.db2.gz VWYWMPRTQFQUFD-UHFFFAOYSA-N 1 0 392.455 3.668 40 0 GHABRO Cc1ncsc1C[N@@H+]1CC[C@]2(CN(C(=O)c3ccsc3)c3cccnc32)C1 ZINC000306143683 212054949 /nfs/dbraw/zinc/05/49/49/212054949.db2.gz YIXWWTMAWZEQFT-HXUWFJFHSA-N 1 0 396.541 3.712 40 0 GHABRO Cc1ccsc1C[N@@H+]1C[C@@H]2[C@@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306137340 212053254 /nfs/dbraw/zinc/05/32/54/212053254.db2.gz QTQIYUJCZZTEEP-QZTJIDSGSA-N 1 0 398.557 3.704 40 0 GHABRO Cc1ccsc1C[N@H+]1CCN(C)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132584 212049333 /nfs/dbraw/zinc/04/93/33/212049333.db2.gz LMWJDDYVHPYUFZ-LJQANCHMSA-N 1 0 395.576 3.793 40 0 GHABRO COc1cccc(C[N@@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306124657 212043914 /nfs/dbraw/zinc/04/39/14/212043914.db2.gz BVUYVUDNYWEKTJ-XMMPIXPASA-N 1 0 386.499 3.649 40 0 GHABRO Cc1noc(C)c1-c1nc([C@@H]2CCC[N@H+](Cc3ncccc3F)C2)ccc1CO ZINC000257297010 212020155 /nfs/dbraw/zinc/02/01/55/212020155.db2.gz RFJNBBLPOACTDA-MRXNPFEDSA-N 1 0 396.466 3.759 40 0 GHABRO CC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000257303369 212019783 /nfs/dbraw/zinc/01/97/83/212019783.db2.gz SGXDSWWXOCGSBZ-UHFFFAOYSA-N 1 0 399.510 3.771 40 0 GHABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnc(Cc2ccccc2F)c1 ZINC000257301990 212019275 /nfs/dbraw/zinc/01/92/75/212019275.db2.gz SAXGLCLJMDLGQA-GMAHTHKFSA-N 1 0 381.495 3.900 40 0 GHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cc2ccccc2[nH]c1=O ZINC000257287980 212017494 /nfs/dbraw/zinc/01/74/94/212017494.db2.gz PSGZEHWCUFKHHG-UHFFFAOYSA-N 1 0 375.472 3.856 40 0 GHABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccc(Cc2ccccc2F)nc1 ZINC000257244379 212010476 /nfs/dbraw/zinc/01/04/76/212010476.db2.gz ILAMEIQPGRYSFJ-GMAHTHKFSA-N 1 0 381.495 3.900 40 0 GHABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cccnc1 ZINC000257243566 212009333 /nfs/dbraw/zinc/00/93/33/212009333.db2.gz IHONGTUXSBSFLV-QMDPOKHVSA-N 1 0 375.516 3.828 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)n1 ZINC000329069922 209159475 /nfs/dbraw/zinc/15/94/75/209159475.db2.gz ZBHMENPGJMPUGG-UHFFFAOYSA-N 1 0 380.323 3.612 40 0 GHABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000329037120 209157049 /nfs/dbraw/zinc/15/70/49/209157049.db2.gz RMIBDMMNKRAKMG-CYBMUJFWSA-N 1 0 389.341 3.997 40 0 GHABRO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328966268 209153400 /nfs/dbraw/zinc/15/34/00/209153400.db2.gz CKQCTXZRTKKTCW-OXQOHEQNSA-N 1 0 398.551 3.645 40 0 GHABRO Cc1nc(CN2CC[C@@]3(C2)C[N@H+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239786 211323628 /nfs/dbraw/zinc/32/36/28/211323628.db2.gz LLECEMKWEQJHRL-SFHVURJKSA-N 1 0 378.492 3.580 40 0 GHABRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(=O)Cc1ccsc1)CC2 ZINC000096221020 211320000 /nfs/dbraw/zinc/32/00/00/211320000.db2.gz APLSRFZLSGFFNH-HXUWFJFHSA-N 1 0 384.545 3.573 40 0 GHABRO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccc(N(C)C)cc4)C3)C2)o1 ZINC000096215934 211319598 /nfs/dbraw/zinc/31/95/98/211319598.db2.gz YGJKVHDYJPEVRZ-HSZRJFAPSA-N 1 0 381.520 3.782 40 0 GHABRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)Cc1ccsc1)CC2 ZINC000096221022 211319410 /nfs/dbraw/zinc/31/94/10/211319410.db2.gz APLSRFZLSGFFNH-FQEVSTJZSA-N 1 0 384.545 3.573 40 0 GHABRO COc1cc(C[N@@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)ccc1O ZINC000072396689 211112551 /nfs/dbraw/zinc/11/25/51/211112551.db2.gz NIJSYJOFGQYANM-AWEZNQCLSA-N 1 0 386.477 3.595 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc(C)cc(Oc4ccc(F)cc4)n3)C2)CC1 ZINC000072384360 211107101 /nfs/dbraw/zinc/10/71/01/211107101.db2.gz YQIXQYHVARTHAI-KRWDZBQOSA-N 1 0 398.482 3.517 40 0 GHABRO CCCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340984 211093792 /nfs/dbraw/zinc/09/37/92/211093792.db2.gz OXYYHSFARQYGBZ-NOXFTYBFSA-N 1 0 381.520 3.557 40 0 GHABRO CCc1nc(-c2cncnc2[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)no1 ZINC000072356135 211099016 /nfs/dbraw/zinc/09/90/16/211099016.db2.gz FTKWBMDQRROGQR-GOSISDBHSA-N 1 0 377.492 3.901 40 0 GHABRO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000072350517 211097111 /nfs/dbraw/zinc/09/71/11/211097111.db2.gz PKZGKKGTNAWVIF-GOSISDBHSA-N 1 0 377.492 3.613 40 0 GHABRO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]32)c1 ZINC000072330656 211092245 /nfs/dbraw/zinc/09/22/45/211092245.db2.gz UAYBUYXAADPAHP-JTHBVZDNSA-N 1 0 378.516 3.751 40 0 GHABRO CSc1ccc([C@H]2NC(=[NH+]C3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000101983239 533007948 /nfs/dbraw/zinc/00/79/48/533007948.db2.gz MCEIPFGBHYSEBU-SFHVURJKSA-N 1 0 383.521 3.524 40 0 GHABRO CNc1cc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@@H+]3C)ccn1 ZINC000019592074 210276080 /nfs/dbraw/zinc/27/60/80/210276080.db2.gz NZIAWFGGXONQPT-KCZVDYSFSA-N 1 0 378.520 3.606 40 0 GHABRO Cc1nn(C)cc1C(=O)NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1 ZINC000019583608 210270800 /nfs/dbraw/zinc/27/08/00/210270800.db2.gz KKOUVBXLFPYSGP-UHFFFAOYSA-N 1 0 394.563 3.825 40 0 GHABRO CCn1cncc1C[NH+]1CCC(c2cc3nc(C)cc(C(F)(F)F)n3n2)CC1 ZINC000019578609 210270748 /nfs/dbraw/zinc/27/07/48/210270748.db2.gz JBKYWQSEABBUJM-UHFFFAOYSA-N 1 0 392.429 3.653 40 0 GHABRO CCC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514290140 560030671 /nfs/dbraw/zinc/03/06/71/560030671.db2.gz SKFPIBHDPPDWGX-CMKODMSKSA-N 1 0 376.497 3.594 40 0 biogenic,in-vitro GHABRO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3CCCc3ccccc3)n2)cc1F ZINC000015674314 560231098 /nfs/dbraw/zinc/23/10/98/560231098.db2.gz JEKOPMWARJCNOI-QUCCMNQESA-N 1 0 381.451 3.925 40 0 biogenic,in-vitro GHABRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1C ZINC000585283690 570251974 /nfs/dbraw/zinc/25/19/74/570251974.db2.gz GUQXIHMIVDPPDV-LJQANCHMSA-N 1 0 380.488 3.704 40 0 GHABRO Cc1ccc2cc(C[NH2+]C[C@@H](O)COc3ccc(Cl)c(C)c3)c(=O)[nH]c2c1 ZINC000585292866 570262850 /nfs/dbraw/zinc/26/28/50/570262850.db2.gz PEYXTSRYEISYKB-QGZVFWFLSA-N 1 0 386.879 3.740 40 0 GHABRO Brc1ccc(-c2c[n+](-c3ccc4c(c3)OCCO4)c3n2CCC3)cc1 ZINC000026442070 570327648 /nfs/dbraw/zinc/32/76/48/570327648.db2.gz LTZBPHKBQWXIEL-UHFFFAOYSA-N 1 0 398.280 3.912 40 0 GHABRO CC[NH+](CC)C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@H](COC)OC ZINC000004792382 570405981 /nfs/dbraw/zinc/40/59/81/570405981.db2.gz SWYKAZJQKQLLEF-VXKWHMMOSA-N 1 0 399.531 3.734 40 0 GHABRO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000025224483 570413596 /nfs/dbraw/zinc/41/35/96/570413596.db2.gz GJBLOHPHZRKQIT-IBGZPJMESA-N 1 0 381.863 3.594 40 0 GHABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(C)cc(C)c3)cc2)CC1 ZINC000006517665 570482356 /nfs/dbraw/zinc/48/23/56/570482356.db2.gz PTOBLMLJQRYCFH-UHFFFAOYSA-N 1 0 396.560 3.572 40 0 GHABRO COc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1OC ZINC000030551841 570491411 /nfs/dbraw/zinc/49/14/11/570491411.db2.gz PPROKFKXHPEYEI-UHFFFAOYSA-N 1 0 396.531 3.939 40 0 GHABRO O=S(=O)(Cc1cccc(Cl)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224615397 570520522 /nfs/dbraw/zinc/52/05/22/570520522.db2.gz XOCRGXXFSOMDCU-UHFFFAOYSA-N 1 0 378.925 3.555 40 0 GHABRO CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224791282 570530785 /nfs/dbraw/zinc/53/07/85/570530785.db2.gz UEGAPEGTIOLYNG-HXUWFJFHSA-N 1 0 382.504 3.765 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000225729906 570610264 /nfs/dbraw/zinc/61/02/64/570610264.db2.gz GKZUZUIVAXKDKV-IYBDPMFKSA-N 1 0 391.581 3.826 40 0 GHABRO CCOCc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)ccc1OC ZINC000012135141 570614196 /nfs/dbraw/zinc/61/41/96/570614196.db2.gz UESVCGQZUGZTDR-SVGJNIJCSA-N 1 0 396.531 3.746 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)cc1Cc1c(C)n[nH]c1C ZINC000012241364 570629896 /nfs/dbraw/zinc/62/98/96/570629896.db2.gz DIZASICCQHHYKH-XMMPIXPASA-N 1 0 391.515 3.719 40 0 GHABRO O[C@H](C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000012292388 570633437 /nfs/dbraw/zinc/63/34/37/570633437.db2.gz CRMSHVIQUFDNBL-GOSISDBHSA-N 1 0 383.385 3.862 40 0 GHABRO COc1cccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044875289 570637654 /nfs/dbraw/zinc/63/76/54/570637654.db2.gz DRICEOXNDJZILP-GOSISDBHSA-N 1 0 382.504 3.765 40 0 GHABRO COc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044907048 570641601 /nfs/dbraw/zinc/64/16/01/570641601.db2.gz RMCSYEBZAPRLRB-FQEVSTJZSA-N 1 0 384.495 3.795 40 0 GHABRO Cc1nccc(-c2ccc(-c3noc(C[N@H+](CCO)C4CCCCC4)n3)cc2)n1 ZINC000012337085 570644706 /nfs/dbraw/zinc/64/47/06/570644706.db2.gz GCZDDPJDNRENPN-UHFFFAOYSA-N 1 0 393.491 3.629 40 0 GHABRO O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044938309 570644857 /nfs/dbraw/zinc/64/48/57/570644857.db2.gz SYPYCYLTBNZWNO-GOSISDBHSA-N 1 0 395.478 3.803 40 0 GHABRO CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCC[NH+](C)C ZINC000004980399 570655857 /nfs/dbraw/zinc/65/58/57/570655857.db2.gz GBUXVCCRURRXFA-UHFFFAOYSA-N 1 0 397.523 3.648 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1C ZINC000260743192 570702462 /nfs/dbraw/zinc/70/24/62/570702462.db2.gz ZKSDQEOCVRZOPX-HNNXBMFYSA-N 1 0 377.554 3.580 40 0 GHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)[C@H](C)c3ccccc3)n(C)n2)CC1 ZINC000257343131 570910371 /nfs/dbraw/zinc/91/03/71/570910371.db2.gz ZRPGULSCSIITAH-QWFCFKBJSA-N 1 0 382.552 3.675 40 0 GHABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)s1 ZINC000585104591 570933729 /nfs/dbraw/zinc/93/37/29/570933729.db2.gz QUZBAIWXQTXYRT-YJBOKZPZSA-N 1 0 391.581 3.503 40 0 GHABRO CCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)C[NH+]3CCCCC3)n2)c1C ZINC000036613722 570942977 /nfs/dbraw/zinc/94/29/77/570942977.db2.gz XIGDUSVNHGZGDK-ZDUSSCGKSA-N 1 0 378.471 3.892 40 0 GHABRO CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000006418842 856380543 /nfs/dbraw/zinc/38/05/43/856380543.db2.gz UAIPQOPNTOKFNY-GOSISDBHSA-N 1 0 381.520 3.969 40 0 GHABRO C[C@H]1CCCC[N@@H+]1[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1 ZINC000019496325 856421029 /nfs/dbraw/zinc/42/10/29/856421029.db2.gz LDIYXNVMTYBEDU-CKJXQJPGSA-N 1 0 393.487 3.960 40 0 GHABRO Cc1ccc(C=[N+]2NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000167529747 856454442 /nfs/dbraw/zinc/45/44/42/856454442.db2.gz KEXUBAAEDQNOSR-PJIZFRNJSA-O 1 0 384.459 3.851 40 0 GHABRO CC(=O)OCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)o1 ZINC000253494192 871861417 /nfs/dbraw/zinc/86/14/17/871861417.db2.gz WSMQRFJVQZNWBS-SSKFGXFMSA-N 1 0 387.451 3.602 40 0 GHABRO O=C(C1CC1)N1CCCc2cc([C@H](O)C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)ccc21 ZINC000247757063 880060964 /nfs/dbraw/zinc/06/09/64/880060964.db2.gz FCLGTCLZAQCHJG-ODOSVJCGSA-N 1 0 382.548 3.921 40 0 GHABRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2cc(=O)[nH]c(N3CCCC3)n2)CC1 ZINC000019577449 210267734 /nfs/dbraw/zinc/26/77/34/210267734.db2.gz DRRYLWVDMGFINA-UHFFFAOYSA-N 1 0 398.555 3.556 40 0 GHABRO COc1ccc(C[N@H+](C[C@@H]2CCOC2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554729 210261772 /nfs/dbraw/zinc/26/17/72/210261772.db2.gz AERWKIAWXUDZGE-OFAXGOBFSA-N 1 0 385.479 3.855 40 0 GHABRO COc1ccc(C[N@H+](C[C@H]2CCOC2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554732 210261622 /nfs/dbraw/zinc/26/16/22/210261622.db2.gz AERWKIAWXUDZGE-YFXJRYMSSA-N 1 0 385.479 3.855 40 0 GHABRO CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)cc1OC ZINC000019533926 210258483 /nfs/dbraw/zinc/25/84/83/210258483.db2.gz AEKSUWYPJIFIKF-YYDVJCTNSA-N 1 0 382.504 3.527 40 0 GHABRO CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C3CC[NH+](CC)CC3)cc2n1 ZINC000019522325 210257232 /nfs/dbraw/zinc/25/72/32/210257232.db2.gz PYAUCOOZRYPAFA-QGZVFWFLSA-N 1 0 395.473 3.932 40 0 GHABRO COc1ccc(CN(Cc2cnc(OC)nc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019461007 210251066 /nfs/dbraw/zinc/25/10/66/210251066.db2.gz OICPRGJFCKXUIW-UHFFFAOYSA-N 1 0 398.551 3.805 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019374899 210245986 /nfs/dbraw/zinc/24/59/86/210245986.db2.gz QUDNUGSXUNYYOT-NHCUHLMSSA-N 1 0 396.462 3.691 40 0 GHABRO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019369499 210243910 /nfs/dbraw/zinc/24/39/10/210243910.db2.gz YTPBYBOXURFVCX-JOCHJYFZSA-N 1 0 398.510 3.618 40 0 GHABRO COc1cccc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 ZINC000019285174 210235691 /nfs/dbraw/zinc/23/56/91/210235691.db2.gz WQUFVJLSOHQKCE-OAQYLSRUSA-N 1 0 388.471 3.642 40 0 GHABRO COc1cccc(OC)c1C[NH2+][C@@H]1CCCN(C(C)=O)[C@H]1c1ccc(C)s1 ZINC000019217318 210230403 /nfs/dbraw/zinc/23/04/03/210230403.db2.gz BGYNHNKOQJGBLC-DYESRHJHSA-N 1 0 388.533 3.916 40 0 GHABRO Cc1ccc(CC(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cc1 ZINC000019209186 210229003 /nfs/dbraw/zinc/22/90/03/210229003.db2.gz GGNPCLBRXVGBKQ-UHFFFAOYSA-N 1 0 378.516 3.860 40 0 GHABRO Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@H]4CCCCN4C)ncc3C2)cc1 ZINC000019136137 210227375 /nfs/dbraw/zinc/22/73/75/210227375.db2.gz GWIBRNVPNKFWLL-LAUBAEHRSA-N 1 0 378.520 3.630 40 0 GHABRO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C/C(C)=C/c2ccccc2)C3)C1 ZINC000019014422 210221250 /nfs/dbraw/zinc/22/12/50/210221250.db2.gz PUVBLLONDPUBOJ-DILWRCETSA-N 1 0 390.531 3.664 40 0 GHABRO CN1CN(c2ccccc2)C2(CC[NH+](CCc3cc4ccccc4o3)CC2)C1=O ZINC000001664543 209336047 /nfs/dbraw/zinc/33/60/47/209336047.db2.gz OWLPADOZBKAFJS-UHFFFAOYSA-N 1 0 389.499 3.746 40 0 GHABRO C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(c3c(cc1O)CNC3=[NH2+])O2 ZINC000252516346 209217279 /nfs/dbraw/zinc/21/72/79/209217279.db2.gz SDIGNZADDDFEPI-UJOQUQSGSA-N 1 0 384.520 3.728 40 0 biogenic,in-vitro GHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccs4)C[C@H]32)cc1 ZINC000306131837 212049553 /nfs/dbraw/zinc/04/95/53/212049553.db2.gz KQRFNWHLWDTITL-LEWJYISDSA-N 1 0 393.512 3.640 40 0 GHABRO Cc1ccsc1C[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 ZINC000306125906 212045473 /nfs/dbraw/zinc/04/54/73/212045473.db2.gz DFIISWSQUMNZNS-VQTJNVASSA-N 1 0 377.513 3.940 40 0 GHABRO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@H+](Cc3scnc3C)C1)C2 ZINC000306124388 212044757 /nfs/dbraw/zinc/04/47/57/212044757.db2.gz BOFBTERMWXMKJC-OAQYLSRUSA-N 1 0 380.517 3.772 40 0 GHABRO Cc1nc2ccc(Cl)cn2c1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257294252 212018373 /nfs/dbraw/zinc/01/83/73/212018373.db2.gz QTFQGGOFHZZLEX-GRXQJBFDSA-N 1 0 386.927 3.774 40 0 GHABRO Cc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329021258 209158196 /nfs/dbraw/zinc/15/81/96/209158196.db2.gz OFJXRCFYYUIXNI-UHFFFAOYSA-N 1 0 388.515 3.609 40 0 GHABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4cnccn4)C3)c2)c1 ZINC000257250281 212011239 /nfs/dbraw/zinc/01/12/39/212011239.db2.gz JLXFJXMUXRQHEL-INIZCTEOSA-N 1 0 389.459 3.562 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccncc2)n1 ZINC000329061296 209159592 /nfs/dbraw/zinc/15/95/92/209159592.db2.gz WQQGJGDZSAXMTA-UHFFFAOYSA-N 1 0 382.899 3.721 40 0 GHABRO Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)cn1 ZINC000257239122 212008534 /nfs/dbraw/zinc/00/85/34/212008534.db2.gz HOAVFBOOZTYPOV-RDYNEMLHSA-N 1 0 390.531 3.532 40 0 GHABRO C[NH+](C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)n1 ZINC000329014389 209155882 /nfs/dbraw/zinc/15/58/82/209155882.db2.gz MVUKJIYLGCSBTJ-UHFFFAOYSA-N 1 0 399.445 3.884 40 0 GHABRO CCOc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224659800 211868933 /nfs/dbraw/zinc/86/89/33/211868933.db2.gz KQHNUVWAVYPXSZ-UHFFFAOYSA-N 1 0 388.533 3.550 40 0 GHABRO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@]2(C[C@H](C[NH+]3CCCC3)CO2)C1 ZINC000096228364 211321718 /nfs/dbraw/zinc/32/17/18/211321718.db2.gz GFIPCKSLOXAKQB-YKSBVNFPSA-N 1 0 393.531 3.584 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21)NC1CC1 ZINC000096052977 211297265 /nfs/dbraw/zinc/29/72/65/211297265.db2.gz BOIFNBVFJHWSPP-MRXNPFEDSA-N 1 0 381.545 3.833 40 0 GHABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000096037035 211297167 /nfs/dbraw/zinc/29/71/67/211297167.db2.gz JHSMHNXDPRDTDM-UHFFFAOYSA-N 1 0 387.531 3.772 40 0 GHABRO CCC[N@@H+]1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC4CCCC4)c(C)n3n2)C1 ZINC000072369608 211102938 /nfs/dbraw/zinc/10/29/38/211102938.db2.gz ZITHUANTSIXZBD-GOSISDBHSA-N 1 0 397.567 3.537 40 0 GHABRO CC(=O)N1CCC([NH+]2CCC(c3nccnc3Oc3ccc(C)cc3)CC2)CC1 ZINC000072363020 211102597 /nfs/dbraw/zinc/10/25/97/211102597.db2.gz XXENRPGSYOQNJY-UHFFFAOYSA-N 1 0 394.519 3.768 40 0 GHABRO CC(=O)N1CCC([NH+]2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)CC1 ZINC000072363026 211101921 /nfs/dbraw/zinc/10/19/21/211101921.db2.gz JUUNCBPWCAZSPU-UHFFFAOYSA-N 1 0 398.482 3.598 40 0 GHABRO O=C(C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000072399258 211112264 /nfs/dbraw/zinc/11/22/64/211112264.db2.gz NERJRFQIPFBTFN-HXUWFJFHSA-N 1 0 395.551 3.614 40 0 GHABRO Cc1c(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)c2ccccc2n1C ZINC000072392567 211110149 /nfs/dbraw/zinc/11/01/49/211110149.db2.gz QPXYGZJKRXIGHV-VNZMSGEBSA-N 1 0 375.516 3.920 40 0 GHABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](CCc2ccccc2)Cc2ccncc2)on1 ZINC000072395061 211109986 /nfs/dbraw/zinc/10/99/86/211109986.db2.gz PYBIBQOARZFCDC-FYYLOGMGSA-N 1 0 377.488 3.680 40 0 GHABRO CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1c2cccnc2[nH]c1C1CC1 ZINC000072395509 211110011 /nfs/dbraw/zinc/11/00/11/211110011.db2.gz PVWUANVDHUDVQO-WOJBJXKFSA-N 1 0 388.515 3.935 40 0 GHABRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000072344744 211095310 /nfs/dbraw/zinc/09/53/10/211095310.db2.gz KALOTLLXRMTNAC-SFHVURJKSA-N 1 0 396.535 3.813 40 0 GHABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000072346047 211095322 /nfs/dbraw/zinc/09/53/22/211095322.db2.gz VWKWOVQMKZPUOL-IBGZPJMESA-N 1 0 393.535 3.584 40 0 GHABRO Cc1nc2cc(C3CCOCC3)nn2c(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000072337433 211093774 /nfs/dbraw/zinc/09/37/74/211093774.db2.gz YIAJSPUVKYEVDQ-GOSISDBHSA-N 1 0 385.556 3.772 40 0 GHABRO O=C(C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 ZINC000072359392 211100673 /nfs/dbraw/zinc/10/06/73/211100673.db2.gz NJPXAUUAJCYCNH-QGZVFWFLSA-N 1 0 384.911 3.599 40 0 GHABRO COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)n2)cc1 ZINC000072350385 211097235 /nfs/dbraw/zinc/09/72/35/211097235.db2.gz UVZGSISLJQKLJC-HXUWFJFHSA-N 1 0 393.531 3.805 40 0 GHABRO Cn1c(-c2ccccc2)cnc1NC(=O)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000019748606 210294027 /nfs/dbraw/zinc/29/40/27/210294027.db2.gz KGXCRKFVGNQPRG-UHFFFAOYSA-N 1 0 389.503 3.723 40 0 GHABRO CCc1ncc(C[NH+]2CCC(Cc3cc(N4CCCCC4)nc(C)n3)CC2)cn1 ZINC000019758957 210293667 /nfs/dbraw/zinc/29/36/67/210293667.db2.gz QXINXFYJZXYZQO-UHFFFAOYSA-N 1 0 394.567 3.582 40 0 GHABRO C[C@]1(CNC(=O)CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CCCO1 ZINC000019745368 210291777 /nfs/dbraw/zinc/29/17/77/210291777.db2.gz YJBMDOPVBKFCII-HXUWFJFHSA-N 1 0 398.469 3.993 40 0 GHABRO COc1cc2c(cc1-c1cncn1C[C@@H](C)[NH+]1CCC(C)CC1)OCCCO2 ZINC000019720014 210289640 /nfs/dbraw/zinc/28/96/40/210289640.db2.gz DNPPTXZXOYVYJP-QGZVFWFLSA-N 1 0 385.508 3.840 40 0 GHABRO CCn1ccnc1C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(C)=O ZINC000019578086 210270203 /nfs/dbraw/zinc/27/02/03/210270203.db2.gz JPNNISXEAPIBDR-MQSCRBSSSA-N 1 0 380.536 3.662 40 0 GHABRO Cc1oc2c(c1C(=O)N1CCCC[C@@H]1c1ncc3c(n1)CC[N@@H+](C)C3)CCCC2 ZINC000019581249 210270014 /nfs/dbraw/zinc/27/00/14/210270014.db2.gz MJEGLPCPLOKUGY-LJQANCHMSA-N 1 0 394.519 3.612 40 0 GHABRO OC1(c2cccnc2)CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000012363697 221185632 /nfs/dbraw/zinc/18/56/32/221185632.db2.gz JSWWNQABKAMUNF-UHFFFAOYSA-N 1 0 375.472 3.539 40 0 GHABRO CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113953829 136192094 /nfs/dbraw/zinc/19/20/94/136192094.db2.gz FJNYMMCOHZOVMV-IBGZPJMESA-N 1 0 387.911 3.888 40 0 GHABRO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CC[NH+](C)CC1 ZINC000226330986 136192825 /nfs/dbraw/zinc/19/28/25/136192825.db2.gz DIDDGWLKHAQYHP-UHFFFAOYSA-N 1 0 393.318 3.888 40 0 GHABRO Cc1cccc(C[NH2+]C[C@H]2COCc3nc4cc(C(F)(F)F)ccc4n32)n1 ZINC000096112697 560060633 /nfs/dbraw/zinc/06/06/33/560060633.db2.gz HHZBWGOLRRDINK-HNNXBMFYSA-N 1 0 376.382 3.620 40 0 biogenic,in-vitro GHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3ccc(Cl)cc3)cc2c1 ZINC000585285172 570254168 /nfs/dbraw/zinc/25/41/68/570254168.db2.gz OUXKNILAJWEONG-GOSISDBHSA-N 1 0 386.879 3.740 40 0 GHABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022446619 570317192 /nfs/dbraw/zinc/31/71/92/570317192.db2.gz BJWLIQNCLGRWFV-MZURWIMNSA-N 1 0 388.596 3.643 40 0 GHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216405 570317536 /nfs/dbraw/zinc/31/75/36/570317536.db2.gz WTXMHDSPRSBBJI-LJQANCHMSA-N 1 0 388.556 3.932 40 0 GHABRO CC[NH+](CC)CCNCc1cc(Br)cc(Br)c1OC ZINC000022074954 570321385 /nfs/dbraw/zinc/32/13/85/570321385.db2.gz VOZHKOCQYONETA-UHFFFAOYSA-N 1 0 394.151 3.652 40 0 GHABRO O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000026780890 570428582 /nfs/dbraw/zinc/42/85/82/570428582.db2.gz GZJBLBDEMLXBDI-SFHVURJKSA-N 1 0 381.303 3.555 40 0 GHABRO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000039745045 570447032 /nfs/dbraw/zinc/44/70/32/570447032.db2.gz OMABCALFFVJZAI-UHFFFAOYSA-N 1 0 383.879 3.537 40 0 GHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1C ZINC000039743013 570447056 /nfs/dbraw/zinc/44/70/56/570447056.db2.gz NTTXCAZUVCXPLW-UHFFFAOYSA-N 1 0 380.488 3.941 40 0 GHABRO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000224527329 570516687 /nfs/dbraw/zinc/51/66/87/570516687.db2.gz NDWLQWHLXNVVQZ-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224644077 570522235 /nfs/dbraw/zinc/52/22/35/570522235.db2.gz LWCZOBXLHCXLON-CSKARUKUSA-N 1 0 378.472 3.731 40 0 GHABRO O=C(CN1c2cccc3cccc(c23)C1=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224770255 570529846 /nfs/dbraw/zinc/52/98/46/570529846.db2.gz JPEZSWWYBLQPJY-UHFFFAOYSA-N 1 0 399.494 3.712 40 0 GHABRO COc1cc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc(OC)c1 ZINC000225230089 570558012 /nfs/dbraw/zinc/55/80/12/570558012.db2.gz HDPDTQHTYIOHKP-UHFFFAOYSA-N 1 0 391.562 3.716 40 0 GHABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)c(Cl)c1Cl ZINC000010111216 570565703 /nfs/dbraw/zinc/56/57/03/570565703.db2.gz IDHLBADSUZLVRU-UHFFFAOYSA-N 1 0 395.352 3.546 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1Cl ZINC000225410911 570570980 /nfs/dbraw/zinc/57/09/80/570570980.db2.gz ZRKNNWGWQUYZFY-UHFFFAOYSA-N 1 0 383.945 3.679 40 0 GHABRO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225729587 570610189 /nfs/dbraw/zinc/61/01/89/570610189.db2.gz XOSYTDSOOFBESQ-KBPBESRZSA-N 1 0 397.972 3.781 40 0 GHABRO COc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225772126 570615723 /nfs/dbraw/zinc/61/57/23/570615723.db2.gz ZKRAEXDRVUJUKG-UHFFFAOYSA-N 1 0 385.533 3.655 40 0 GHABRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(O)(c3ccccc3OC)CC2)cc1 ZINC000012147627 570617181 /nfs/dbraw/zinc/61/71/81/570617181.db2.gz YNBAJSXIFWSEKD-UHFFFAOYSA-N 1 0 393.487 3.578 40 0 GHABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000004231200 570622440 /nfs/dbraw/zinc/62/24/40/570622440.db2.gz GFUDXHTUQZJVTE-UHFFFAOYSA-N 1 0 392.503 3.741 40 0 GHABRO Cc1cc2occ(CC(=O)Nc3nnc(CC[NH+]4CCCC4)s3)c2cc1C ZINC000012203394 570625540 /nfs/dbraw/zinc/62/55/40/570625540.db2.gz MYQKMTQSZSLWPD-UHFFFAOYSA-N 1 0 384.505 3.721 40 0 GHABRO COCCOc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc1OC ZINC000012293032 570633725 /nfs/dbraw/zinc/63/37/25/570633725.db2.gz RTXLCOKPCONFGK-UHFFFAOYSA-N 1 0 385.504 3.512 40 0 GHABRO CN(CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000044916660 570642990 /nfs/dbraw/zinc/64/29/90/570642990.db2.gz NJKBRRYXZNFFGG-LJQANCHMSA-N 1 0 385.939 3.805 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCCC2 ZINC000012330241 570644697 /nfs/dbraw/zinc/64/46/97/570644697.db2.gz OXSDXEJQZORRNL-GOTSBHOMSA-N 1 0 393.527 3.950 40 0 GHABRO Fc1cccc(-c2cc3nc4c(c(N[C@@H]5C[NH+]6CCC5CC6)n3n2)CCCC4)c1 ZINC000004980758 570655864 /nfs/dbraw/zinc/65/58/64/570655864.db2.gz LXPSYXAUJILCMQ-OAQYLSRUSA-N 1 0 391.494 3.920 40 0 GHABRO Cc1ccc2cc(CN(CCC[NH+](C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000005906883 570666679 /nfs/dbraw/zinc/66/66/79/570666679.db2.gz FRBRGXXJJJKVTA-UHFFFAOYSA-N 1 0 398.551 3.633 40 0 GHABRO COc1ccccc1CCC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257240942 570893863 /nfs/dbraw/zinc/89/38/63/570893863.db2.gz HVUQLTFTCOLGJQ-LTMIRXACSA-N 1 0 381.520 3.645 40 0 GHABRO COCC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 ZINC000585100311 570924282 /nfs/dbraw/zinc/92/42/82/570924282.db2.gz JYSGBDDWJXLUAC-HSZRJFAPSA-N 1 0 382.504 3.653 40 0 GHABRO Cc1ccccc1C[N@H+]1CCOC[C@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104817 570933450 /nfs/dbraw/zinc/93/34/50/570933450.db2.gz ULILCLOYLJCCFZ-HYBUGGRVSA-N 1 0 378.516 3.807 40 0 GHABRO C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585104672 570933541 /nfs/dbraw/zinc/93/35/41/570933541.db2.gz QPIQQQQCQBSKIA-JPYJTQIMSA-N 1 0 382.479 3.638 40 0 GHABRO COc1ccc2c(c1)C(=O)N[C@]1(CC[N@@H+]([C@@H](C)Cc3ccc(F)cc3)C1)CC2 ZINC000019456783 856420914 /nfs/dbraw/zinc/42/09/14/856420914.db2.gz BNBNWBMDHVTXPC-HJPURHCSSA-N 1 0 382.479 3.586 40 0 GHABRO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C)[C@H]3C)C[C@H]2c2csnn2)cc1 ZINC000019211971 856421227 /nfs/dbraw/zinc/42/12/27/856421227.db2.gz OKXDKRMWHYEUNX-IZBJGVDFSA-N 1 0 398.576 3.677 40 0 GHABRO C[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 ZINC000019456125 856421404 /nfs/dbraw/zinc/42/14/04/856421404.db2.gz HSDBRFIPQLBPBP-NRSFXHEJSA-N 1 0 375.467 3.784 40 0 GHABRO Cc1nc([C@@H]2CCC[N@@H+](CC(C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765446 856428351 /nfs/dbraw/zinc/42/83/51/856428351.db2.gz OCYHNRZTNUBPCH-GOSISDBHSA-N 1 0 384.499 3.690 40 0 GHABRO CCCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)cn1 ZINC000248195405 870313943 /nfs/dbraw/zinc/31/39/43/870313943.db2.gz OXYYHSFARQYGBZ-LEDOBFOHSA-N 1 0 381.520 3.557 40 0 GHABRO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C[C@@H](C)c3ccccc3)ncc2C1 ZINC000247921834 880086884 /nfs/dbraw/zinc/08/68/84/880086884.db2.gz HJSUJDQVXKNDCS-VGSWGCGISA-N 1 0 378.520 3.712 40 0 GHABRO COc1cccc2ccc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)nc21 ZINC000019568481 210266873 /nfs/dbraw/zinc/26/68/73/210266873.db2.gz ARITXJUDHAHPQF-NQIIRXRSSA-N 1 0 397.425 3.631 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2ccccc2OC[C@@H]2CCCO2)CC1 ZINC000019569271 210265181 /nfs/dbraw/zinc/26/51/81/210265181.db2.gz PLIRRXOSIRCJET-FQEVSTJZSA-N 1 0 397.515 3.737 40 0 GHABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019555287 210262441 /nfs/dbraw/zinc/26/24/41/210262441.db2.gz COXQSZRFGKYBDL-FQEVSTJZSA-N 1 0 376.460 3.568 40 0 GHABRO CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)C[N@H+](C)Cc2ccccc2O3)[nH]n1 ZINC000019451714 210251143 /nfs/dbraw/zinc/25/11/43/210251143.db2.gz FVRABIBNBVFYRL-UHFFFAOYSA-N 1 0 396.535 3.811 40 0 GHABRO NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](CC2CCCCC2)C1 ZINC000019348338 210243337 /nfs/dbraw/zinc/24/33/37/210243337.db2.gz UPUOFEOMSJGZBB-XMMPIXPASA-N 1 0 392.547 3.834 40 0 GHABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2ccc(N3CCOCC3)nc2)nc1 ZINC000019215510 210230659 /nfs/dbraw/zinc/23/06/59/210230659.db2.gz CWCSNHSJGPKIJB-NRFANRHFSA-N 1 0 394.544 3.757 40 0 GHABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@@H]21 ZINC000019133539 210227316 /nfs/dbraw/zinc/22/73/16/210227316.db2.gz HVZSTTHEOMPLOJ-NQIIRXRSSA-N 1 0 382.479 3.879 40 0 GHABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C/C(C)=C/c1ccccc1)C2 ZINC000019014430 210222243 /nfs/dbraw/zinc/22/22/43/210222243.db2.gz JFTDXAHMHZMPTE-OEHGHSTBSA-N 1 0 376.504 3.622 40 0 GHABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000018109849 210215086 /nfs/dbraw/zinc/21/50/86/210215086.db2.gz WZJVGJKQEBQZLP-KRWDZBQOSA-N 1 0 380.488 3.935 40 0 GHABRO C[NH2+][C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000001756104 209338150 /nfs/dbraw/zinc/33/81/50/209338150.db2.gz RRCKMQLZGKWNPR-OAHLLOKOSA-N 1 0 387.501 3.668 40 0 GHABRO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000001640522 209334725 /nfs/dbraw/zinc/33/47/25/209334725.db2.gz ZOAOWHPGYZFBSH-QHCPKHFHSA-N 1 0 387.479 3.740 40 0 GHABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000005258755 212065012 /nfs/dbraw/zinc/06/50/12/212065012.db2.gz JMYQPHVQYYQNOG-GVXVVHGQSA-N 1 0 378.257 3.730 40 0 GHABRO COCCn1cnc2c1C1(CC[NH+](Cc3ccoc3)CC1)Oc1ccccc1-2 ZINC000306128292 212047454 /nfs/dbraw/zinc/04/74/54/212047454.db2.gz GWHCPAXMTAHCNM-UHFFFAOYSA-N 1 0 379.460 3.673 40 0 GHABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccc(F)c4)C2)OC3)c1 ZINC000306130448 212046357 /nfs/dbraw/zinc/04/63/57/212046357.db2.gz JGNWBHNDDDJTJZ-QHCPKHFHSA-N 1 0 393.462 3.873 40 0 GHABRO Cc1cccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257336325 212027519 /nfs/dbraw/zinc/02/75/19/212027519.db2.gz YNXXRBSZLKLIJB-FPFQSLQCSA-N 1 0 375.516 3.746 40 0 GHABRO COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1C[NH+](C)C ZINC000257318670 212023595 /nfs/dbraw/zinc/02/35/95/212023595.db2.gz VOYLCFAHHOTYAH-PEAKKCBMSA-N 1 0 388.552 3.918 40 0 GHABRO Cc1ncsc1-c1ccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)cn1 ZINC000257297159 212019509 /nfs/dbraw/zinc/01/95/09/212019509.db2.gz RGDICDRSJKSPFM-JWVYWZTKSA-N 1 0 382.533 3.601 40 0 GHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccncn1)[C@H]2Cc1ccccc1 ZINC000257253521 212011124 /nfs/dbraw/zinc/01/11/24/212011124.db2.gz JZGWAMIUVKSCDL-CHSSDKTLSA-N 1 0 390.531 3.565 40 0 GHABRO CC(C)[NH+]1CCC(c2cnc(N3C(=O)OC[C@@H]3Cc3ccccc3)cn2)CC1 ZINC000257254034 212011247 /nfs/dbraw/zinc/01/12/47/212011247.db2.gz KBHFMSHRJHUWJW-IBGZPJMESA-N 1 0 380.492 3.632 40 0 GHABRO CC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257234357 212009451 /nfs/dbraw/zinc/00/94/51/212009451.db2.gz GTDWLQIXDCNBEP-LJQANCHMSA-N 1 0 394.563 3.921 40 0 GHABRO CC[C@@H](C)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329032283 209158079 /nfs/dbraw/zinc/15/80/79/209158079.db2.gz QOPIDPKFDGHGJW-GFCCVEGCSA-N 1 0 375.314 3.783 40 0 GHABRO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)nc1C ZINC000257221773 212005488 /nfs/dbraw/zinc/00/54/88/212005488.db2.gz DQLHULWJYLQYQI-IBGZPJMESA-N 1 0 398.526 3.633 40 0 GHABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1ccnc(Cc2ccccc2)c1 ZINC000257211363 212004033 /nfs/dbraw/zinc/00/40/33/212004033.db2.gz BYPJZCGNDPCLPP-HYVLGVRCSA-N 1 0 375.516 3.808 40 0 GHABRO C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257213690 212002858 /nfs/dbraw/zinc/00/28/58/212002858.db2.gz CIRAKSMSJMZEJJ-HSZRJFAPSA-N 1 0 399.510 3.771 40 0 GHABRO Cc1cccnc1C(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257213930 212002954 /nfs/dbraw/zinc/00/29/54/212002954.db2.gz CJTJNMKZSAFQMF-QIQSYULWSA-N 1 0 375.516 3.746 40 0 GHABRO CC(C)[NH2+]C[C@@H](O)[C@](C)(O)CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000226313010 211939492 /nfs/dbraw/zinc/93/94/92/211939492.db2.gz AWNRMTDUYIOMRL-GZIYIDJWSA-N 1 0 383.617 3.870 40 0 GHABRO C[NH+](C)CCNC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 ZINC000096154364 211312159 /nfs/dbraw/zinc/31/21/59/211312159.db2.gz RMQWKLFFXYZSSV-UHFFFAOYSA-N 1 0 382.445 3.503 40 0 GHABRO Clc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCC4CC4)nc23)c1 ZINC000096244100 211324610 /nfs/dbraw/zinc/32/46/10/211324610.db2.gz HTPFAWCGKSGPCY-OAQYLSRUSA-N 1 0 384.911 3.626 40 0 GHABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053258 211298756 /nfs/dbraw/zinc/29/87/56/211298756.db2.gz WRCMFGOKWCRHOM-SFHVURJKSA-N 1 0 382.479 3.863 40 0 GHABRO CC(C)(C)[NH2+]C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075486 211298813 /nfs/dbraw/zinc/29/88/13/211298813.db2.gz OJASWGSLGMGZJF-HXOBKFHXSA-N 1 0 381.520 3.634 40 0 GHABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21 ZINC000096053330 211298361 /nfs/dbraw/zinc/29/83/61/211298361.db2.gz QCFJVGVWCVNLID-FQEVSTJZSA-N 1 0 393.531 3.897 40 0 GHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053436 211298053 /nfs/dbraw/zinc/29/80/53/211298053.db2.gz SVNRACWJOKRQAZ-LJQANCHMSA-N 1 0 391.515 3.651 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)[nH]n3)C2)c1 ZINC000072371182 211103786 /nfs/dbraw/zinc/10/37/86/211103786.db2.gz OWGHQCOLCQKPJX-SFHVURJKSA-N 1 0 396.535 3.860 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398550 211111707 /nfs/dbraw/zinc/11/17/07/211111707.db2.gz AOBDGEUISKTNJI-UGKGYDQZSA-N 1 0 379.504 3.570 40 0 GHABRO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@@H+]2Cc2ccccn2)c1 ZINC000072376878 211106347 /nfs/dbraw/zinc/10/63/47/211106347.db2.gz LHTUETFGSFGLMS-HXUWFJFHSA-N 1 0 375.476 3.857 40 0 GHABRO Cc1cccc(Cc2cccc([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)c1 ZINC000072348778 211095978 /nfs/dbraw/zinc/09/59/78/211095978.db2.gz FUESCDUSYCFDFH-OAQYLSRUSA-N 1 0 377.532 3.783 40 0 GHABRO CC(C)(C)OC(=O)N1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000089212621 210933610 /nfs/dbraw/zinc/93/36/10/210933610.db2.gz PKEKOQXJXISTLW-UHFFFAOYSA-N 1 0 383.330 3.981 40 0 GHABRO CN(C)c1ncc(CN(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740475 210732461 /nfs/dbraw/zinc/73/24/61/210732461.db2.gz MXQJXLYVXCINDJ-UHFFFAOYSA-N 1 0 399.558 3.993 40 0 GHABRO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000022510651 210415499 /nfs/dbraw/zinc/41/54/99/210415499.db2.gz XXYMLJLJGFJYBT-UHFFFAOYSA-N 1 0 382.504 3.962 40 0 GHABRO CNc1cc([C@@H]2CCC[N@H+](Cc3ccc(OC)cc3)C2)nc(-c2cccnc2)n1 ZINC000019592203 210275768 /nfs/dbraw/zinc/27/57/68/210275768.db2.gz ZYCFQFQOYUALMS-LJQANCHMSA-N 1 0 389.503 3.969 40 0 GHABRO Cc1cc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)cc(C)c1O ZINC000019570014 210268525 /nfs/dbraw/zinc/26/85/25/210268525.db2.gz DLMNOYLPQDCXDQ-CTNGQTDRSA-N 1 0 382.479 3.885 40 0 GHABRO COc1ccc(C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cc1 ZINC000019586736 210272536 /nfs/dbraw/zinc/27/25/36/210272536.db2.gz KSNDVBAOTGQDIP-UHFFFAOYSA-N 1 0 380.488 3.631 40 0 GHABRO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)c1 ZINC000012185795 221163893 /nfs/dbraw/zinc/16/38/93/221163893.db2.gz HZLRYUSPDVDQOB-SFHVURJKSA-N 1 0 393.487 3.601 40 0 GHABRO C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219052070 136204072 /nfs/dbraw/zinc/20/40/72/136204072.db2.gz WDHYNHYSMVLFDP-SFHVURJKSA-N 1 0 389.499 3.998 40 0 GHABRO CCOc1cc(C=O)ccc1OCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000217799562 535670751 /nfs/dbraw/zinc/67/07/51/535670751.db2.gz MRPZSZJFFXASTE-UHFFFAOYSA-N 1 0 382.504 3.879 40 0 GHABRO COc1ccc2c(c1O)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C(Br)=CC=C3C ZINC000253504286 560038401 /nfs/dbraw/zinc/03/84/01/560038401.db2.gz FCXBYZRFHRNZPT-YJLNNSPDSA-N 1 0 376.294 3.754 40 0 biogenic,in-vitro GHABRO CC(C)CC[NH2+]C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O ZINC000077262585 560046515 /nfs/dbraw/zinc/04/65/15/560046515.db2.gz KTMILQMJXPTFQB-IRFCIJBXSA-N 1 0 376.472 3.567 40 0 biogenic,in-vitro GHABRO COc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015675506 560095690 /nfs/dbraw/zinc/09/56/90/560095690.db2.gz IYJYNULMIPBHKO-FQEVSTJZSA-N 1 0 387.443 3.768 40 0 biogenic,in-vitro GHABRO CC(C)(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1 ZINC000015673672 560230801 /nfs/dbraw/zinc/23/08/01/560230801.db2.gz ZCOPNAIHZVMNDU-ROUUACIJSA-N 1 0 375.557 3.870 40 0 biogenic,in-vitro GHABRO Cc1cnc(Nc2cccc(CC3CCN(C(=O)[C@]4(C)CCC[NH2+]4)CC3)n2)s1 ZINC000585263271 570232155 /nfs/dbraw/zinc/23/21/55/570232155.db2.gz AEGJWMONHMZOIY-NRFANRHFSA-N 1 0 399.564 3.513 40 0 GHABRO CC(=O)Nc1ccc(C[NH+]2CCC(O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585269993 570238579 /nfs/dbraw/zinc/23/85/79/570238579.db2.gz ADUBHIXLZBBRTC-UHFFFAOYSA-N 1 0 382.504 3.668 40 0 GHABRO COc1ccc(-c2cccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)c2C)cc1 ZINC000585293977 570263600 /nfs/dbraw/zinc/26/36/00/570263600.db2.gz FXUCEQNZUVQLTG-UHFFFAOYSA-N 1 0 394.515 3.607 40 0 GHABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2c3cc(C)cnc3[nH]c2C2CC2)cc1 ZINC000057773792 570373795 /nfs/dbraw/zinc/37/37/95/570373795.db2.gz PGGQAIYTQMIECZ-QGZVFWFLSA-N 1 0 395.503 3.629 40 0 GHABRO [NH3+][C@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@H]1CCCO1 ZINC000685938868 570398067 /nfs/dbraw/zinc/39/80/67/570398067.db2.gz PTBLQLIJUVBVLS-SJORKVTESA-N 1 0 391.265 3.686 40 0 GHABRO CCCCOc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1 ZINC000224352468 570450148 /nfs/dbraw/zinc/45/01/48/570450148.db2.gz HUJBBCSWJGQTJZ-UHFFFAOYSA-N 1 0 383.496 3.574 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 ZINC000223220497 570450621 /nfs/dbraw/zinc/45/06/21/570450621.db2.gz MVYRFMALIVAWMH-MOPGFXCFSA-N 1 0 385.581 3.562 40 0 GHABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1C(C)C ZINC000223263868 570454102 /nfs/dbraw/zinc/45/41/02/570454102.db2.gz QGIFHVCJTHMERA-PMACEKPBSA-N 1 0 385.581 3.615 40 0 GHABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000223411746 570464995 /nfs/dbraw/zinc/46/49/95/570464995.db2.gz CZRGNVYAVABNNP-IBGZPJMESA-N 1 0 392.543 3.897 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 ZINC000030756112 570495206 /nfs/dbraw/zinc/49/52/06/570495206.db2.gz TVMNZHMIRCCKJH-SJORKVTESA-N 1 0 394.581 3.955 40 0 GHABRO COCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008469045 570531894 /nfs/dbraw/zinc/53/18/94/570531894.db2.gz XTLIRHMPVNDJRI-UHFFFAOYSA-N 1 0 380.282 3.773 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000225730147 570610236 /nfs/dbraw/zinc/61/02/36/570610236.db2.gz AXJDMNZIWBKERS-HOTGVXAUSA-N 1 0 391.581 3.826 40 0 GHABRO Cc1nc2cc(C(=O)NC[C@H]3CCC[N@H+](CCc4ccccc4)C3)ccc2[nH]1 ZINC000012147253 570617119 /nfs/dbraw/zinc/61/71/19/570617119.db2.gz WRECYJLJDMNJEM-LJQANCHMSA-N 1 0 376.504 3.556 40 0 GHABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](C[C@@H]4CCOC4)C3)cc2n1 ZINC000012220432 570627699 /nfs/dbraw/zinc/62/76/99/570627699.db2.gz ILWKHFNFALMWTL-UONOGXRCSA-N 1 0 382.430 3.697 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc3c(c2)CCCC3)CC1 ZINC000012292612 570633671 /nfs/dbraw/zinc/63/36/71/570633671.db2.gz KPSSUYSJJISTBK-JOCHJYFZSA-N 1 0 381.516 3.591 40 0 GHABRO O=S(=O)(Cc1ccccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874796 570637661 /nfs/dbraw/zinc/63/76/61/570637661.db2.gz BCYBZKOGWQVLEO-UHFFFAOYSA-N 1 0 392.952 3.946 40 0 GHABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012330103 570644770 /nfs/dbraw/zinc/64/47/70/570644770.db2.gz KJILKNBKHPFZSZ-IEXSPKMKSA-N 1 0 399.445 3.963 40 0 GHABRO COc1ccc2c(C[N@@H+]3CCC[C@@H]([C@@H](NC(C)=O)c4nccs4)C3)c[nH]c2c1 ZINC000012365810 570646690 /nfs/dbraw/zinc/64/66/90/570646690.db2.gz HCLQHOFIPIWWFT-FOIQADDNSA-N 1 0 398.532 3.722 40 0 GHABRO Cc1ccc(Cl)cc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O ZINC000008215727 570765383 /nfs/dbraw/zinc/76/53/83/570765383.db2.gz KVLYDVDLJLJUOG-GOSISDBHSA-N 1 0 381.863 3.594 40 0 GHABRO O=C(COc1ccc2ccccc2c1)N1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000169313259 570780615 /nfs/dbraw/zinc/78/06/15/570780615.db2.gz NAZVMRKYJCRHEF-VLCRHTCISA-N 1 0 376.500 3.575 40 0 GHABRO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](CC2CC(F)(F)C2)CC3)cs1 ZINC000585100823 570928660 /nfs/dbraw/zinc/92/86/60/570928660.db2.gz YBZUWWTUOOPJJI-SFHVURJKSA-N 1 0 383.508 3.844 40 0 GHABRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 ZINC000585103976 570929599 /nfs/dbraw/zinc/92/95/99/570929599.db2.gz HTNOKFGHGKMTGV-DEOSSOPVSA-N 1 0 378.516 3.555 40 0 GHABRO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)c1 ZINC000585104903 570934127 /nfs/dbraw/zinc/93/41/27/570934127.db2.gz WQSKCFWTFQGJIK-JOCHJYFZSA-N 1 0 393.531 3.533 40 0 GHABRO O=C(Nc1ccc([C@H](O)C[NH+]2CCCCC2)cc1)c1cn2cc(Cl)ccc2n1 ZINC000019716737 571038596 /nfs/dbraw/zinc/03/85/96/571038596.db2.gz KDELAMYNYQCEQB-LJQANCHMSA-N 1 0 398.894 3.759 40 0 GHABRO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063497 856409845 /nfs/dbraw/zinc/40/98/45/856409845.db2.gz OMYCNCHFRGUALG-UHFFFAOYSA-N 1 0 397.494 3.815 40 0 GHABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](CC[C@@H](C)c4ccccc4)C3)ncc2C1 ZINC000019455666 856421284 /nfs/dbraw/zinc/42/12/84/856421284.db2.gz YPRZMOMGEDIHOP-WIYYLYMNSA-N 1 0 392.547 3.754 40 0 GHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3ccc(C)o3)C1)O2 ZINC000019216591 856421649 /nfs/dbraw/zinc/42/16/49/856421649.db2.gz XBGUJROYZQFNJX-WZONZLPQSA-N 1 0 398.503 3.618 40 0 GHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1n[nH]c2c1CCC2 ZINC000019713047 856427193 /nfs/dbraw/zinc/42/71/93/856427193.db2.gz BZWJDJMPKCRXQU-QIJUGHKUSA-N 1 0 392.547 3.599 40 0 GHABRO CCOC[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242688600 863015128 /nfs/dbraw/zinc/01/51/28/863015128.db2.gz VUMLLWYHCNZSSR-XUVXKRRUSA-N 1 0 393.936 3.570 40 0 GHABRO COc1cccc(C[NH2+]CCc2cc(OC)c(Br)cc2OC)c1 ZINC000473108551 860945582 /nfs/dbraw/zinc/94/55/82/860945582.db2.gz NFOSUSKGYPPAMT-UHFFFAOYSA-N 1 0 380.282 3.807 40 0 in-vitro GHABRO COc1ccc(C[C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccnc(C)n2)cc1 ZINC000247967182 870248076 /nfs/dbraw/zinc/24/80/76/870248076.db2.gz RCPXHLIOHZPTAJ-ZLNRFVROSA-N 1 0 381.520 3.532 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2ccccc2OC[C@H]2CCCO2)CC1 ZINC000019569273 210266807 /nfs/dbraw/zinc/26/68/07/210266807.db2.gz PLIRRXOSIRCJET-HXUWFJFHSA-N 1 0 397.515 3.737 40 0 GHABRO Cc1c2ccccc2oc1C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019566192 210266553 /nfs/dbraw/zinc/26/65/53/210266553.db2.gz GEJUCXDSRJCMPT-SFHVURJKSA-N 1 0 376.460 3.544 40 0 GHABRO COc1cccc([C@H]2CN(C(=O)c3cc4c(s3)CCCC4)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566440 210264961 /nfs/dbraw/zinc/26/49/61/210264961.db2.gz LVAKSIYXBVLVRU-WOIUINJBSA-N 1 0 396.556 3.996 40 0 GHABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 ZINC000019555278 210261974 /nfs/dbraw/zinc/26/19/74/210261974.db2.gz YMVHCQYSFWURBL-HXUWFJFHSA-N 1 0 376.460 3.568 40 0 GHABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCC[N@@H+](C(C)C)C1 ZINC000019529963 210258703 /nfs/dbraw/zinc/25/87/03/210258703.db2.gz UXGLKXVVYVXPLK-KKSFZXQISA-N 1 0 376.472 3.763 40 0 GHABRO CCC[NH+]1CCC(C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)OCC)CC1 ZINC000019502599 210255518 /nfs/dbraw/zinc/25/55/18/210255518.db2.gz NFRTUYFFOKHBAR-GOSISDBHSA-N 1 0 376.472 3.764 40 0 GHABRO CCc1nn(C)c(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)c1C ZINC000019521034 210254469 /nfs/dbraw/zinc/25/44/69/210254469.db2.gz ZDGHKGQASDCYNQ-WPYKKVEZSA-N 1 0 394.563 3.774 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cc1 ZINC000019496743 210251997 /nfs/dbraw/zinc/25/19/97/210251997.db2.gz OKKZCTHYPYCASA-IBGZPJMESA-N 1 0 397.519 3.935 40 0 GHABRO CC(C)c1cc(C(=O)N2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)[nH]n1 ZINC000019451931 210251484 /nfs/dbraw/zinc/25/14/84/210251484.db2.gz IALZFLYXJRCFCG-UHFFFAOYSA-N 1 0 396.535 3.811 40 0 GHABRO Cc1ccnn1[C@H](C)C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C ZINC000019238276 210235657 /nfs/dbraw/zinc/23/56/57/210235657.db2.gz GLXPYCVOSLIJCJ-YCZSINBZSA-N 1 0 398.526 3.761 40 0 GHABRO Cc1cccc(O[C@H](C)c2nnc(NC(=O)[C@@H]3C[NH+]4CCC3CC4)s2)c1C ZINC000019235679 210232780 /nfs/dbraw/zinc/23/27/80/210232780.db2.gz XPZRZGNRYNRLQG-GDBMZVCRSA-N 1 0 386.521 3.575 40 0 GHABRO Cc1ccc(C(=O)N2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019214911 210230923 /nfs/dbraw/zinc/23/09/23/210230923.db2.gz TUGYXJWPDKITHV-UHFFFAOYSA-N 1 0 379.504 3.668 40 0 GHABRO CC(C)(C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019084919 210226216 /nfs/dbraw/zinc/22/62/16/210226216.db2.gz KIZOBBMSVGMVFA-UHFFFAOYSA-N 1 0 389.503 3.686 40 0 GHABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000019019428 210223032 /nfs/dbraw/zinc/22/30/32/210223032.db2.gz SEPLZUNGSPQUEF-DNVJHFABSA-N 1 0 382.479 3.671 40 0 GHABRO CC(C)Cc1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)[nH]n1 ZINC000257199191 209224134 /nfs/dbraw/zinc/22/41/34/209224134.db2.gz WDALTMWEEOLIFO-KKXYHZGYSA-N 1 0 382.552 3.643 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 ZINC000306142231 212055099 /nfs/dbraw/zinc/05/50/99/212055099.db2.gz WUDZTUKKSFDMMR-QHCPKHFHSA-N 1 0 393.462 3.873 40 0 GHABRO Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccs2)c1 ZINC000306133690 212051707 /nfs/dbraw/zinc/05/17/07/212051707.db2.gz MSWGGYWXTQSPKU-LEWJYISDSA-N 1 0 377.513 3.940 40 0 GHABRO COc1cccc(CN2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](C)CC3)C2)c1 ZINC000306136653 212051211 /nfs/dbraw/zinc/05/12/11/212051211.db2.gz PZHZZNDHYHOCLZ-UHFFFAOYSA-N 1 0 382.552 3.760 40 0 GHABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306136616 212050666 /nfs/dbraw/zinc/05/06/66/212050666.db2.gz PYLFAUBEWBXDDF-GOSISDBHSA-N 1 0 379.483 3.848 40 0 GHABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccs4)C2)OC3)c1 ZINC000306123969 212045234 /nfs/dbraw/zinc/04/52/34/212045234.db2.gz BBTQWNPHZJZRMI-OAQYLSRUSA-N 1 0 381.501 3.795 40 0 GHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257340811 212027605 /nfs/dbraw/zinc/02/76/05/212027605.db2.gz ZHPRAHCNGMKLLF-FQEVSTJZSA-N 1 0 385.483 3.944 40 0 GHABRO CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](CC2CC2)CC1 ZINC000257294724 212018443 /nfs/dbraw/zinc/01/84/43/212018443.db2.gz QVKIOIPABKFCAR-UHFFFAOYSA-N 1 0 377.532 3.872 40 0 GHABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccsc3)C[C@@H]2c2ccccc2)CC1 ZINC000257279791 212016579 /nfs/dbraw/zinc/01/65/79/212016579.db2.gz OIEQZRRRIZTIJH-HXUWFJFHSA-N 1 0 384.545 3.603 40 0 GHABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1ccnc(Cc2ccccc2F)c1 ZINC000257278508 212016899 /nfs/dbraw/zinc/01/68/99/212016899.db2.gz OCNQOOXRNHQWSP-AYEXWZOKSA-N 1 0 393.506 3.947 40 0 GHABRO Cc1nc([C@H]2CC[N@@H+](C(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1F ZINC000257273271 212014552 /nfs/dbraw/zinc/01/45/52/212014552.db2.gz NFXKCDOPWYSNED-SFHVURJKSA-N 1 0 396.510 3.644 40 0 GHABRO C[C@]12CC[N@@H+](C3CCOCC3)[C@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000257270774 212013818 /nfs/dbraw/zinc/01/38/18/212013818.db2.gz MVPWNOUPUQIPJR-ICSRJNTNSA-N 1 0 396.453 3.840 40 0 GHABRO CN(C)C(=O)c1sc2nccnc2c1C1CC[NH+](Cc2ccsc2)CC1 ZINC000257224629 212006864 /nfs/dbraw/zinc/00/68/64/212006864.db2.gz FCQDWTHPSHVYCX-UHFFFAOYSA-N 1 0 386.546 3.834 40 0 GHABRO CC(C)[NH+]1CCC(Cc2cc(N3C(=O)OC[C@@H]3Cc3ccccc3)ncn2)CC1 ZINC000257220633 212005987 /nfs/dbraw/zinc/00/59/87/212005987.db2.gz DLNWJLDKYCRJQO-NRFANRHFSA-N 1 0 394.519 3.707 40 0 GHABRO CCOc1ccc(-c2cc(C(=O)N3CCC[C@@H]4[N@H+](C)CCC[C@@]43C)[nH]n2)cc1 ZINC000257205323 212003024 /nfs/dbraw/zinc/00/30/24/212003024.db2.gz AYNFKJBHOVOKBF-UNMCSNQZSA-N 1 0 382.508 3.564 40 0 GHABRO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328966269 209154310 /nfs/dbraw/zinc/15/43/10/209154310.db2.gz CKQCTXZRTKKTCW-UZLBHIALSA-N 1 0 398.551 3.645 40 0 GHABRO COc1ccccc1CCC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750345 211391108 /nfs/dbraw/zinc/39/11/08/211391108.db2.gz HVUQLTFTCOLGJQ-GWJPWWOOSA-N 1 0 381.520 3.645 40 0 GHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000100750220 211390647 /nfs/dbraw/zinc/39/06/47/211390647.db2.gz QIHYOIQIBJECQL-SELNLUPBSA-N 1 0 383.511 3.989 40 0 GHABRO COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)[NH+](C)C)CC2)c1 ZINC000100750184 211390083 /nfs/dbraw/zinc/39/00/83/211390083.db2.gz LDMWXTFTKNUZFH-KGVIQGDOSA-N 1 0 381.520 3.929 40 0 GHABRO COc1ccc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000100750344 211390270 /nfs/dbraw/zinc/39/02/70/211390270.db2.gz VGYUHDNCHVUIEE-SELNLUPBSA-N 1 0 381.520 3.645 40 0 GHABRO COCCn1c(C(=O)NCCC[NH+](C)C)cc2c1c1ccccc1n2C(C)C ZINC000096037329 211297246 /nfs/dbraw/zinc/29/72/46/211297246.db2.gz FAQWPYOWKJIPOH-UHFFFAOYSA-N 1 0 384.524 3.505 40 0 GHABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000096037087 211296223 /nfs/dbraw/zinc/29/62/23/211296223.db2.gz RRURGOOUDUCJHM-UHFFFAOYSA-N 1 0 387.531 3.690 40 0 GHABRO Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@H]4CCC[NH2+]C4)C3)cc2)c1 ZINC000072372138 211102316 /nfs/dbraw/zinc/10/23/16/211102316.db2.gz AGPRSMFCMDUDOG-FQEVSTJZSA-N 1 0 391.494 3.567 40 0 GHABRO CC(=O)N1CCC([NH+]2CCC(c3nccnc3Oc3cccc(C)c3)CC2)CC1 ZINC000072363019 211101809 /nfs/dbraw/zinc/10/18/09/211101809.db2.gz XCAVNBVYJSCJMN-UHFFFAOYSA-N 1 0 394.519 3.768 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CC1 ZINC000072398565 211112635 /nfs/dbraw/zinc/11/26/35/211112635.db2.gz UXKVFKQCAIBIIK-UWJYYQICSA-N 1 0 385.458 3.839 40 0 GHABRO O=c1cc(C2CC[NH+](Cc3cccc(F)c3F)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392725 211109929 /nfs/dbraw/zinc/10/99/29/211109929.db2.gz ZAVZCWUCGRBSNR-UHFFFAOYSA-N 1 0 382.414 3.902 40 0 GHABRO Cc1cccc2c(C[C@@H](C)NC(=O)c3ccc(CN4CCOCC4)cc3)c[nH]c21 ZINC000072390299 211108512 /nfs/dbraw/zinc/10/85/12/211108512.db2.gz MQWTWUIKHWZJOG-GOSISDBHSA-N 1 0 391.515 3.670 40 0 GHABRO Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@@H]4CCCC[NH2+]4)C3)cc2)c1 ZINC000072374060 211104240 /nfs/dbraw/zinc/10/42/40/211104240.db2.gz PCEFFWMUGFSHHV-NRFANRHFSA-N 1 0 391.494 3.915 40 0 GHABRO C[C@H](C[N@@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 ZINC000072341397 211093779 /nfs/dbraw/zinc/09/37/79/211093779.db2.gz HSDBRFIPQLBPBP-LAVFITLUSA-N 1 0 375.467 3.784 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)CC1 ZINC000072350378 211097526 /nfs/dbraw/zinc/09/75/26/211097526.db2.gz NOXCEPLEJUAXIS-IBGZPJMESA-N 1 0 381.495 3.936 40 0 GHABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2Br)C1 ZINC000089212637 210934186 /nfs/dbraw/zinc/93/41/86/210934186.db2.gz DXNWTQGPXBXAAR-HNNXBMFYSA-N 1 0 383.330 3.981 40 0 GHABRO CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000033821682 210654491 /nfs/dbraw/zinc/65/44/91/210654491.db2.gz QHRYYIWWVCYYGL-YSTOQKLRSA-N 1 0 378.497 3.733 40 0 GHABRO Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCNC3)C1 ZINC000019710975 210286297 /nfs/dbraw/zinc/28/62/97/210286297.db2.gz JLGDMVAUPJTTCX-SFHVURJKSA-N 1 0 391.494 3.567 40 0 GHABRO CC(C)c1ccc(C[C@H](C)C[NH+]2CCC(Cc3nn(C)cc3C(N)=O)CC2)cc1 ZINC000019756508 210293795 /nfs/dbraw/zinc/29/37/95/210293795.db2.gz BQGUCVKYLIYRQN-SFHVURJKSA-N 1 0 396.579 3.776 40 0 GHABRO CC(C)c1ccc(C[C@@H](C)C[NH+]2CCC(Cc3nn(C)cc3C(N)=O)CC2)cc1 ZINC000019756506 210293401 /nfs/dbraw/zinc/29/34/01/210293401.db2.gz BQGUCVKYLIYRQN-GOSISDBHSA-N 1 0 396.579 3.776 40 0 GHABRO Cc1cccn2c(=O)c(C(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)cnc12 ZINC000019714714 210286799 /nfs/dbraw/zinc/28/67/99/210286799.db2.gz LKHYUMFGEFQBIY-KRWDZBQOSA-N 1 0 390.487 3.630 40 0 GHABRO Cc1nc(C2CC[NH+](C(C)C)CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000072371166 136169050 /nfs/dbraw/zinc/16/90/50/136169050.db2.gz VGQQZPPGBDUILQ-UHFFFAOYSA-N 1 0 396.510 3.991 40 0 GHABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C3)cc1 ZINC000096269252 560054120 /nfs/dbraw/zinc/05/41/20/560054120.db2.gz AZCQAMYONSRCHE-KRWDZBQOSA-N 1 0 385.414 3.526 40 0 biogenic,in-vitro GHABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2c[nH]c4ccccc24)OC3)cc1 ZINC000096112939 560061266 /nfs/dbraw/zinc/06/12/66/560061266.db2.gz LBBAYZHDZHWVOH-SFHVURJKSA-N 1 0 376.435 3.859 40 0 biogenic,in-vitro GHABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)o1 ZINC000049170063 560084114 /nfs/dbraw/zinc/08/41/14/560084114.db2.gz MBXNEGRYIVJKEM-KRWDZBQOSA-N 1 0 392.459 3.693 40 0 biogenic,in-vitro GHABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1C(=O)c1ccccc1 ZINC000001102070 570295449 /nfs/dbraw/zinc/29/54/49/570295449.db2.gz NRVVTWYCFPNSTQ-UGKGYDQZSA-N 1 0 376.500 3.912 40 0 GHABRO O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000004213867 570363052 /nfs/dbraw/zinc/36/30/52/570363052.db2.gz ARFNSMYWLYZEPU-LJQANCHMSA-N 1 0 380.488 3.699 40 0 in-man GHABRO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+]C5CC5)C4=O)cc3)sc2c1 ZINC000005754710 570455479 /nfs/dbraw/zinc/45/54/79/570455479.db2.gz YCHNTRIIGCJEJW-QGZVFWFLSA-N 1 0 377.469 3.656 40 0 GHABRO COc1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1OC ZINC000243446043 570457887 /nfs/dbraw/zinc/45/78/87/570457887.db2.gz NEQGWNNGFSYRFD-UHFFFAOYSA-N 1 0 393.491 3.878 40 0 GHABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000223411698 570464811 /nfs/dbraw/zinc/46/48/11/570464811.db2.gz CZRGNVYAVABNNP-LJQANCHMSA-N 1 0 392.543 3.897 40 0 GHABRO COc1ccc(CC[NH2+]CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC000035311425 570466694 /nfs/dbraw/zinc/46/66/94/570466694.db2.gz FHRYFAITMGKZOL-UHFFFAOYSA-N 1 0 381.520 3.846 40 0 GHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000224529308 570516783 /nfs/dbraw/zinc/51/67/83/570516783.db2.gz PEUHNVJPOVGNLI-UHFFFAOYSA-N 1 0 382.504 3.541 40 0 GHABRO COc1ccc(CSCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224592007 570519929 /nfs/dbraw/zinc/51/99/29/570519929.db2.gz JEEBYRPNXMPKCE-UHFFFAOYSA-N 1 0 384.545 3.841 40 0 GHABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1cccc(OC)c1)CCCC3 ZINC000035079613 570549347 /nfs/dbraw/zinc/54/93/47/570549347.db2.gz SCKWNQRIZNNYFA-IBGZPJMESA-N 1 0 393.487 3.946 40 0 GHABRO O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010691136 570572618 /nfs/dbraw/zinc/57/26/18/570572618.db2.gz MGXLTECPJCKSCX-UHFFFAOYSA-N 1 0 377.488 3.771 40 0 GHABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)NC3CCCCC3)cc12 ZINC000001371597 570574901 /nfs/dbraw/zinc/57/49/01/570574901.db2.gz AHOZQWBFIZQXAH-UHFFFAOYSA-N 1 0 398.551 3.551 40 0 GHABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038834477 570585853 /nfs/dbraw/zinc/58/58/53/570585853.db2.gz XCVIROQOAVCCHJ-SFHVURJKSA-N 1 0 384.451 3.853 40 0 GHABRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccccc2)CC1 ZINC000038835989 570586912 /nfs/dbraw/zinc/58/69/12/570586912.db2.gz MTYADSZMVPSHNI-FQEVSTJZSA-N 1 0 397.950 3.901 40 0 GHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038835998 570587251 /nfs/dbraw/zinc/58/72/51/570587251.db2.gz JQSNBBMNUKYISB-HXUWFJFHSA-N 1 0 397.950 3.901 40 0 GHABRO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038858732 570588640 /nfs/dbraw/zinc/58/86/40/570588640.db2.gz GKRFVQVFQQJLSF-QGZVFWFLSA-N 1 0 386.879 3.597 40 0 GHABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 ZINC000225739227 570611580 /nfs/dbraw/zinc/61/15/80/570611580.db2.gz YYTKRUIABKYXNJ-JOCHJYFZSA-N 1 0 392.540 3.712 40 0 GHABRO CCOc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)ccc1OC ZINC000012134991 570613977 /nfs/dbraw/zinc/61/39/77/570613977.db2.gz BIJHRSLOPPGMTG-DETIRCLXSA-N 1 0 382.504 3.609 40 0 GHABRO COc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)CCC2 ZINC000012135187 570614002 /nfs/dbraw/zinc/61/40/02/570614002.db2.gz MYARDDFBXYNEKE-SVGJNIJCSA-N 1 0 378.516 3.699 40 0 GHABRO CCCO[C@H]1CCC[N@H+](Cc2c(C)n(CC(=O)NC3CC3)c3ccccc23)C1 ZINC000012241479 570630386 /nfs/dbraw/zinc/63/03/86/570630386.db2.gz QZAKHXKXUVIXHR-IBGZPJMESA-N 1 0 383.536 3.619 40 0 GHABRO CC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291161 570632878 /nfs/dbraw/zinc/63/28/78/570632878.db2.gz LOLAGMUUKAEGDQ-XMMPIXPASA-N 1 0 394.490 3.948 40 0 GHABRO COc1ccc(C2(O)CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012292320 570633258 /nfs/dbraw/zinc/63/32/58/570633258.db2.gz MKKNNVCKFOYGCE-QHCPKHFHSA-N 1 0 377.484 3.865 40 0 GHABRO Cc1ccc(NC(=O)C[NH+]2CCC(n3nnc4ccccc43)CC2)cc1Cl ZINC000004895126 570636457 /nfs/dbraw/zinc/63/64/57/570636457.db2.gz OYBZLVGWIBYXIY-UHFFFAOYSA-N 1 0 383.883 3.669 40 0 GHABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000012328866 570643775 /nfs/dbraw/zinc/64/37/75/570643775.db2.gz BFLAWEJFVKXSHN-INIZCTEOSA-N 1 0 382.479 3.777 40 0 GHABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cc(OC)ccc2OC)C3)cc1 ZINC000012361623 570645813 /nfs/dbraw/zinc/64/58/13/570645813.db2.gz KFBWUBPYBDNELH-VXMMSVGHSA-N 1 0 397.515 3.832 40 0 GHABRO CCOC(=O)c1cc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000260732713 570701150 /nfs/dbraw/zinc/70/11/50/570701150.db2.gz AIJYBWDNKYWYPI-AWEZNQCLSA-N 1 0 397.972 3.925 40 0 GHABRO CCOc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000005949445 570737148 /nfs/dbraw/zinc/73/71/48/570737148.db2.gz NWJFDROWXWTWRT-UHFFFAOYSA-N 1 0 383.517 3.808 40 0 GHABRO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000008215705 570765472 /nfs/dbraw/zinc/76/54/72/570765472.db2.gz GJBLOHPHZRKQIT-LJQANCHMSA-N 1 0 381.863 3.594 40 0 GHABRO COCC[N@@H+]1CC[C@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585102380 570930522 /nfs/dbraw/zinc/93/05/22/570930522.db2.gz YQZMBEARIVVZER-QHCPKHFHSA-N 1 0 380.488 3.806 40 0 GHABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]32)no1 ZINC000585109754 570938047 /nfs/dbraw/zinc/93/80/47/570938047.db2.gz PLRUWXQAKGRKCX-JAXLGGSGSA-N 1 0 391.446 3.822 40 0 GHABRO C[C@@H]1CCC[C@@H]([N@@H+]2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@H]2C)C1 ZINC000252427041 871290696 /nfs/dbraw/zinc/29/06/96/871290696.db2.gz SNIZDVPEJYDTHR-QWFCFKBJSA-N 1 0 390.535 3.905 40 0 GHABRO CC(=O)OCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)o1 ZINC000253494193 871863234 /nfs/dbraw/zinc/86/32/34/871863234.db2.gz WSMQRFJVQZNWBS-WQTXXOFMSA-N 1 0 387.451 3.602 40 0 GHABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019568955 210265705 /nfs/dbraw/zinc/26/57/05/210265705.db2.gz LXEPWOWPXYSRGN-CYBMUJFWSA-N 1 0 379.386 3.663 40 0 GHABRO CCOc1ncccc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019531511 210259168 /nfs/dbraw/zinc/25/91/68/210259168.db2.gz IJNRUDQSNLPGIZ-CEMLEFRQSA-N 1 0 393.531 3.963 40 0 GHABRO CCOC(=O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CC[NH+](CC2CC2)CC1 ZINC000019530199 210258311 /nfs/dbraw/zinc/25/83/11/210258311.db2.gz VSTOZCHUFPGUAK-QGZVFWFLSA-N 1 0 388.483 3.764 40 0 GHABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)no2)CC1 ZINC000019496734 210252344 /nfs/dbraw/zinc/25/23/44/210252344.db2.gz IZYIOWRMQQLHAO-HXUWFJFHSA-N 1 0 381.520 3.969 40 0 GHABRO COCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc(C(C)C)cc3)C2)no1 ZINC000019453220 210249918 /nfs/dbraw/zinc/24/99/18/210249918.db2.gz RGWCWGXMBNHKIY-IBGZPJMESA-N 1 0 385.508 3.554 40 0 GHABRO O[C@H](c1nccs1)c1cccc(F)c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000019371326 210246238 /nfs/dbraw/zinc/24/62/38/210246238.db2.gz XFQDQHMHBKJEAD-NRFANRHFSA-N 1 0 397.519 3.729 40 0 GHABRO Fc1ccccc1OCCC[NH+]1CCC(c2nnc(-c3cccnc3)o2)CC1 ZINC000019368110 210243763 /nfs/dbraw/zinc/24/37/63/210243763.db2.gz MOCSZIHJAPJRKE-UHFFFAOYSA-N 1 0 382.439 3.919 40 0 GHABRO Cc1nccn1CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019288107 210237529 /nfs/dbraw/zinc/23/75/29/210237529.db2.gz HVWAWUJXYGFXPB-CQOQZXRMSA-N 1 0 394.563 3.841 40 0 GHABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)c4ccn[nH]4)CC3)CCCCC2)cc1 ZINC000019208547 210229954 /nfs/dbraw/zinc/22/99/54/210229954.db2.gz DKVQESQSJIBMAU-UHFFFAOYSA-N 1 0 380.536 3.814 40 0 GHABRO Cc1nn([C@H](C)CC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c(C)c1Cl ZINC000019136438 210228451 /nfs/dbraw/zinc/22/84/51/210228451.db2.gz GGNHOLIDFMZPMA-RDTXWAMCSA-N 1 0 376.932 3.832 40 0 GHABRO Cc1cc2nc(C3CC[NH+](Cc4cnc(C)nc4)CC3)cc(C(F)(F)F)n2n1 ZINC000019129159 210227065 /nfs/dbraw/zinc/22/70/65/210227065.db2.gz GIZPWPGJDWFRBV-UHFFFAOYSA-N 1 0 390.413 3.535 40 0 GHABRO CC[NH+](CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3cccs3)oc12 ZINC000001582683 209333148 /nfs/dbraw/zinc/33/31/48/209333148.db2.gz RPOFIMKSJQISEF-UHFFFAOYSA-N 1 0 385.485 3.949 40 0 GHABRO C[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000226259285 209188253 /nfs/dbraw/zinc/18/82/53/209188253.db2.gz LEAJVPXXWKMQPL-UHFFFAOYSA-N 1 0 379.291 3.580 40 0 GHABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccsc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306139063 212053837 /nfs/dbraw/zinc/05/38/37/212053837.db2.gz SOJBMFGFNBFBSR-DENIHFKCSA-N 1 0 398.576 3.754 40 0 GHABRO O=C1C[C@H]2[N@H+](CC3CC3)CC[C@]2(c2ccccc2)CCN1Cc1ccccn1 ZINC000306128890 212047225 /nfs/dbraw/zinc/04/72/25/212047225.db2.gz HNTYLAAEHVELCQ-ISKFKSNPSA-N 1 0 375.516 3.626 40 0 GHABRO O=C1C[C@@H]2[N@H+](CC3CC3)CC[C@@]2(c2ccccc2)CCN1Cc1ccccn1 ZINC000306128892 212046662 /nfs/dbraw/zinc/04/66/62/212046662.db2.gz HNTYLAAEHVELCQ-UPVQGACJSA-N 1 0 375.516 3.626 40 0 GHABRO Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)C2(C)CC[NH+](C)CC2)nc1 ZINC000257277699 212015848 /nfs/dbraw/zinc/01/58/48/212015848.db2.gz NZAZQGROKLPRFA-LJQANCHMSA-N 1 0 382.508 3.749 40 0 GHABRO C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257275499 212016936 /nfs/dbraw/zinc/01/69/36/212016936.db2.gz NPRAYKKQAWTIAH-HSZRJFAPSA-N 1 0 399.510 3.771 40 0 GHABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257273396 212014027 /nfs/dbraw/zinc/01/40/27/212014027.db2.gz NGKADXDHAYMXPT-KRWDZBQOSA-N 1 0 387.911 3.721 40 0 GHABRO Cc1noc(C)c1-c1cc(C[C@@H]2CCC[N@H+](Cc3ncccc3F)C2)ncn1 ZINC000257264380 212011895 /nfs/dbraw/zinc/01/18/95/212011895.db2.gz LUCJKKHVKMGHBI-INIZCTEOSA-N 1 0 381.455 3.737 40 0 GHABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NC(C)C)[nH+]1 ZINC000329007250 209155686 /nfs/dbraw/zinc/15/56/86/209155686.db2.gz LKCFXWIZKBTARB-UHFFFAOYSA-N 1 0 375.314 3.606 40 0 GHABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3cn(-c4ccccc4)cn3)n3ccccc23)CC1 ZINC000096154933 211311583 /nfs/dbraw/zinc/31/15/83/211311583.db2.gz IHMQLTPNFUATDT-UHFFFAOYSA-N 1 0 399.498 3.570 40 0 GHABRO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096080361 211301232 /nfs/dbraw/zinc/30/12/32/211301232.db2.gz MYRFXKFUSRBYHS-QHCPKHFHSA-N 1 0 390.487 3.664 40 0 GHABRO O=S(=O)(c1ccccc1)N1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096071102 211298103 /nfs/dbraw/zinc/29/81/03/211298103.db2.gz HAMQJCMEXXUCPC-FQEVSTJZSA-N 1 0 390.936 3.627 40 0 GHABRO CN1CCn2c(-c3cccc(F)c3)cnc2C12CC[NH+](Cc1ccoc1)CC2 ZINC000096036960 211297004 /nfs/dbraw/zinc/29/70/04/211297004.db2.gz PRLNTGLKDITVIH-UHFFFAOYSA-N 1 0 380.467 3.719 40 0 GHABRO Fc1ccc(-c2cccc(CN3CCn4c(nnc4[C@@H]4CCC[NH2+]C4)C3)c2)cc1 ZINC000072372157 211102086 /nfs/dbraw/zinc/10/20/86/211102086.db2.gz CZMRAWBQHWDQRK-HXUWFJFHSA-N 1 0 391.494 3.567 40 0 GHABRO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4cnn(C)c4)C3)[nH]n2)cc1 ZINC000072371566 211102142 /nfs/dbraw/zinc/10/21/42/211102142.db2.gz MHXPKQWZGQANCI-FQEVSTJZSA-N 1 0 393.535 3.878 40 0 GHABRO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3cccc(Nc4ccccn4)n3)C2)CC1 ZINC000072375956 211104534 /nfs/dbraw/zinc/10/45/34/211104534.db2.gz WVZVGTCQJVIAIG-LJQANCHMSA-N 1 0 393.535 3.658 40 0 GHABRO COC(=O)[C@@]1(Cc2cccc(F)c2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340254 211094022 /nfs/dbraw/zinc/09/40/22/211094022.db2.gz CPGPVEFITTVHQH-ZRCGQRJVSA-N 1 0 381.447 3.534 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(C)=O)c3nccs3)C2)c(C)c1C ZINC000072337759 211093116 /nfs/dbraw/zinc/09/31/16/211093116.db2.gz WSDOETBFBXMGLM-QUCCMNQESA-N 1 0 387.549 3.858 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361007 211100827 /nfs/dbraw/zinc/10/08/27/211100827.db2.gz OVHIICIHPITGSA-OAHLLOKOSA-N 1 0 388.496 3.933 40 0 GHABRO Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)C3CC[NH+](C)CC3)n2)cc1 ZINC000072358277 211098158 /nfs/dbraw/zinc/09/81/58/211098158.db2.gz PUKWVKDLDKMYRY-HSZRJFAPSA-N 1 0 377.532 3.986 40 0 GHABRO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000072358194 211098252 /nfs/dbraw/zinc/09/82/52/211098252.db2.gz JSXONVDHPOOIAL-HSZRJFAPSA-N 1 0 393.531 3.829 40 0 GHABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2Br)C1 ZINC000089223564 210935206 /nfs/dbraw/zinc/93/52/06/210935206.db2.gz KFQBWPXFMWKRPF-AWEZNQCLSA-N 1 0 383.330 3.838 40 0 GHABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCCC[N@@H+]3CC(C)C)nc2C)c1 ZINC000019764360 210296499 /nfs/dbraw/zinc/29/64/99/210296499.db2.gz KAKRSQAUWLVYAU-NRFANRHFSA-N 1 0 396.535 3.907 40 0 GHABRO Cn1cc(C(=O)NC2CCCC2)c(CC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000019754948 210293246 /nfs/dbraw/zinc/29/32/46/210293246.db2.gz DAPSNPUNBRLNQT-UHFFFAOYSA-N 1 0 394.563 3.590 40 0 GHABRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)n1 ZINC000019718343 210289871 /nfs/dbraw/zinc/28/98/71/210289871.db2.gz FDEHCFLJXBZBLX-UHFFFAOYSA-N 1 0 386.927 3.843 40 0 GHABRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)n1 ZINC000019718348 210289735 /nfs/dbraw/zinc/28/97/35/210289735.db2.gz LPSHUKCNGIUGAS-SFHVURJKSA-N 1 0 386.927 3.843 40 0 GHABRO Cc1cc(C)c2nc(C)c(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)cc2c1 ZINC000019715321 210286643 /nfs/dbraw/zinc/28/66/43/210286643.db2.gz VKENRJLXIGKHLC-UHFFFAOYSA-N 1 0 388.515 3.949 40 0 GHABRO C[NH+]1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3Cl)no2)CC1 ZINC000019660875 210279775 /nfs/dbraw/zinc/27/97/75/210279775.db2.gz CGLUOYXZMSZZCM-UHFFFAOYSA-N 1 0 385.855 3.711 40 0 GHABRO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)Nc1ccc(N2CCCCCC2)cc1 ZINC000035311424 570323879 /nfs/dbraw/zinc/32/38/79/570323879.db2.gz ZHZJUNCIGUEVME-UHFFFAOYSA-N 1 0 381.476 3.524 40 0 GHABRO CN(CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccccc1 ZINC000219425320 570360068 /nfs/dbraw/zinc/36/00/68/570360068.db2.gz OVUWIMIXZGQBJP-UHFFFAOYSA-N 1 0 383.511 3.680 40 0 GHABRO [NH3+][C@H](C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000685938864 570398127 /nfs/dbraw/zinc/39/81/27/570398127.db2.gz DOGITAQWGMFSER-RANZSIQMSA-N 1 0 384.442 3.744 40 0 GHABRO CC[NH+](CC)C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@@H](COC)OC ZINC000004792379 570406102 /nfs/dbraw/zinc/40/61/02/570406102.db2.gz SWYKAZJQKQLLEF-FCHUYYIVSA-N 1 0 399.531 3.734 40 0 GHABRO Cc1c(/C=C/C2=[NH+]c3ccccc3[C@H](O)N2CCCO)c2ccccc2n1C ZINC000005042779 570425579 /nfs/dbraw/zinc/42/55/79/570425579.db2.gz NHGBQRAMMNBYIA-OTOIZHKDSA-N 1 0 375.472 3.919 40 0 GHABRO COc1cc(CC[NH+]2CCN(c3ccc(C)c(C)c3)CC2)cc(OC)c1OC ZINC000005337675 570434602 /nfs/dbraw/zinc/43/46/02/570434602.db2.gz ACPDEWYYENWVHL-UHFFFAOYSA-N 1 0 384.520 3.694 40 0 GHABRO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039757235 570448407 /nfs/dbraw/zinc/44/84/07/570448407.db2.gz AGIRWLIDZJCBKE-UHFFFAOYSA-N 1 0 397.494 3.816 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223220303 570450602 /nfs/dbraw/zinc/45/06/02/570450602.db2.gz WECUKFLBUCXNBE-LEWJYISDSA-N 1 0 397.592 3.922 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000223247833 570452696 /nfs/dbraw/zinc/45/26/96/570452696.db2.gz QFTGXYWVLQSDAO-RTWAWAEBSA-N 1 0 397.592 3.922 40 0 GHABRO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000029589835 570476797 /nfs/dbraw/zinc/47/67/97/570476797.db2.gz LPYULKPFEZXRTH-JOCHJYFZSA-N 1 0 376.500 3.710 40 0 GHABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788207 570530985 /nfs/dbraw/zinc/53/09/85/570530985.db2.gz BYPSLUDEBSVYRS-JOCHJYFZSA-N 1 0 382.504 3.765 40 0 GHABRO COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccc(F)cc1 ZINC000008535047 570533447 /nfs/dbraw/zinc/53/34/47/570533447.db2.gz DTXSGTKVGOTQFY-GFCCVEGCSA-N 1 0 398.272 3.646 40 0 GHABRO CCn1c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2sc1=O ZINC000225096176 570548541 /nfs/dbraw/zinc/54/85/41/570548541.db2.gz FGSXXSKHYVKHSS-UHFFFAOYSA-N 1 0 381.501 3.931 40 0 GHABRO Cc1ccc(C)n1-n1c(CN2CCCC[C@@H]2C)nnc1CN1CCCC[C@@H]1C ZINC000225151474 570552409 /nfs/dbraw/zinc/55/24/09/570552409.db2.gz GOIHVKYYGGDWPC-ROUUACIJSA-N 1 0 384.572 3.757 40 0 GHABRO COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1CO ZINC000036740538 570569341 /nfs/dbraw/zinc/56/93/41/570569341.db2.gz BBPLEUJCRGDQIP-UHFFFAOYSA-N 1 0 397.563 3.894 40 0 GHABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000225400645 570569805 /nfs/dbraw/zinc/56/98/05/570569805.db2.gz GOPHAMYCJJAWDI-UHFFFAOYSA-N 1 0 377.554 3.724 40 0 GHABRO O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000225548577 570586828 /nfs/dbraw/zinc/58/68/28/570586828.db2.gz VFWLCGAUBAUZAX-UHFFFAOYSA-N 1 0 378.516 3.761 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C(=O)OC)c1C ZINC000225582219 570590672 /nfs/dbraw/zinc/59/06/72/570590672.db2.gz WEEUCHCECHLNQC-INIZCTEOSA-N 1 0 377.554 3.723 40 0 GHABRO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]CCCc3ccco3)cc12 ZINC000012186175 570620805 /nfs/dbraw/zinc/62/08/05/570620805.db2.gz KCYLDYMOTKBFJY-UHFFFAOYSA-N 1 0 396.878 3.991 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)cc1Cc1c(C)n[nH]c1C ZINC000012241361 570629940 /nfs/dbraw/zinc/62/99/40/570629940.db2.gz DIZASICCQHHYKH-DEOSSOPVSA-N 1 0 391.515 3.719 40 0 GHABRO COc1ccc([C@H](O)C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012292477 570633308 /nfs/dbraw/zinc/63/33/08/570633308.db2.gz SBNWZUGLFDAPCK-LJQANCHMSA-N 1 0 395.421 3.731 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)c(F)c1 ZINC000012328144 570643711 /nfs/dbraw/zinc/64/37/11/570643711.db2.gz HHDWFNAMXRLFSB-UHFFFAOYSA-N 1 0 394.450 3.772 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 ZINC000012329799 570644076 /nfs/dbraw/zinc/64/40/76/570644076.db2.gz FDLIAMLIJIYFHF-RTBURBONSA-N 1 0 391.870 3.863 40 0 GHABRO Cc1nc(-c2ccccc2)c(CC(=O)N(CC[NH+](C)C)Cc2cccnc2)s1 ZINC000012360902 570645562 /nfs/dbraw/zinc/64/55/62/570645562.db2.gz XLZITBDGERSUEE-UHFFFAOYSA-N 1 0 394.544 3.646 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)cc1 ZINC000012408170 570654864 /nfs/dbraw/zinc/65/48/64/570654864.db2.gz DWROQQOWBDCFDS-IEBWSBKVSA-N 1 0 387.549 3.877 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)c1 ZINC000012408168 570654938 /nfs/dbraw/zinc/65/49/38/570654938.db2.gz IVCPPTPTNOGADB-PKOBYXMFSA-N 1 0 387.549 3.877 40 0 GHABRO O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055062828 570681335 /nfs/dbraw/zinc/68/13/35/570681335.db2.gz JRIPFSJGQQAPTQ-FJIJXJHWSA-N 1 0 389.543 3.927 40 0 GHABRO CCOc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1cccs1 ZINC000008254739 570766434 /nfs/dbraw/zinc/76/64/34/570766434.db2.gz SNMHLWFHRLAQHY-UHFFFAOYSA-N 1 0 390.549 3.538 40 0 GHABRO COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)[NH+](C)C)CC2)cc1 ZINC000257229031 570891489 /nfs/dbraw/zinc/89/14/89/570891489.db2.gz FWJSYLMVJZVMIJ-YOSAUDMPSA-N 1 0 395.547 3.858 40 0 GHABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)C[C@@H]3CC=CCC3)CC2)nn1C ZINC000257233059 570892458 /nfs/dbraw/zinc/89/24/58/570892458.db2.gz GNNXCBYQKMCCHR-NJDAHSKKSA-N 1 0 386.584 3.960 40 0 GHABRO Cc1ncc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099822 570925851 /nfs/dbraw/zinc/92/58/51/570925851.db2.gz CXXBJXFPLIGIFK-HXUWFJFHSA-N 1 0 388.537 3.604 40 0 GHABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](CC1CC(F)(F)C1)CC2 ZINC000585099855 570926448 /nfs/dbraw/zinc/92/64/48/570926448.db2.gz KCMDXLHUJOECPU-LJQANCHMSA-N 1 0 381.467 3.684 40 0 GHABRO O=C(NC1CCCC1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019879730 570931283 /nfs/dbraw/zinc/93/12/83/570931283.db2.gz ICVRGXBINHJBQA-UHFFFAOYSA-N 1 0 377.532 3.677 40 0 GHABRO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000009062730 856410177 /nfs/dbraw/zinc/41/01/77/856410177.db2.gz QSZWYMLBCRKURD-UHFFFAOYSA-N 1 0 384.495 3.795 40 0 GHABRO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063313 856410197 /nfs/dbraw/zinc/41/01/97/856410197.db2.gz OTXGHKLPPKWSAV-UHFFFAOYSA-N 1 0 386.879 3.962 40 0 GHABRO CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010370401 856417589 /nfs/dbraw/zinc/41/75/89/856417589.db2.gz OPQSNEDHHPGOPQ-UHFFFAOYSA-N 1 0 379.504 3.921 40 0 GHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000019712057 856426141 /nfs/dbraw/zinc/42/61/41/856426141.db2.gz VGSNBNVYWCVTCZ-PKTZIBPZSA-N 1 0 398.526 3.994 40 0 GHABRO CC(C)c1ncc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019712821 856426830 /nfs/dbraw/zinc/42/68/30/856426830.db2.gz MFTCQEWPGDAJPN-VWPQPMDRSA-N 1 0 396.510 3.766 40 0 GHABRO CC(=O)N1CCCCC[C@@H]2[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)CC[C@@]21C ZINC000019713376 856427112 /nfs/dbraw/zinc/42/71/12/856427112.db2.gz WYTBEYWUBIYQHC-VXKWHMMOSA-N 1 0 384.499 3.767 40 0 GHABRO CCOC[C@]1(N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514318 856774014 /nfs/dbraw/zinc/77/40/14/856774014.db2.gz CFQISRVUFFPHTG-ZCNNSNEGSA-N 1 0 393.936 3.576 40 0 GHABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019555293 210261982 /nfs/dbraw/zinc/26/19/82/210261982.db2.gz KJRNURKZTIJBJN-FQEVSTJZSA-N 1 0 376.460 3.568 40 0 GHABRO Cc1nn(C[C@H](C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(C)c1C ZINC000019556983 210260560 /nfs/dbraw/zinc/26/05/60/210260560.db2.gz XLVZXCAXOWFKMB-KRWDZBQOSA-N 1 0 398.551 3.948 40 0 GHABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530037 210260036 /nfs/dbraw/zinc/26/00/36/210260036.db2.gz JALDVPLLLKZRIJ-FDDCHVKYSA-N 1 0 398.503 3.566 40 0 GHABRO CCOC(=O)C1(C[C@H]2CC(c3ccccc3C)=NO2)CC[NH+](CC2CC2)CC1 ZINC000019530195 210257617 /nfs/dbraw/zinc/25/76/17/210257617.db2.gz JFRGYYZTCTWUGI-LJQANCHMSA-N 1 0 384.520 3.933 40 0 GHABRO CCOc1cccc([C@H](O)C[N@H+](C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)c1 ZINC000019519996 210254526 /nfs/dbraw/zinc/25/45/26/210254526.db2.gz QLRDMBLRRULLAD-NHCUHLMSSA-N 1 0 395.503 3.979 40 0 GHABRO C[C@@H](CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21)n1cccn1 ZINC000019455382 210251086 /nfs/dbraw/zinc/25/10/86/210251086.db2.gz XGWFVRGJPMAKGB-IBHRTIHJSA-N 1 0 384.499 3.500 40 0 GHABRO C[C@H](CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C)n1cccn1 ZINC000019455343 210249977 /nfs/dbraw/zinc/24/99/77/210249977.db2.gz AQUOZXHNLLMIJK-DKOYFPBOSA-N 1 0 398.526 3.842 40 0 GHABRO O=C(CCn1ccnc1-c1ccccc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019374402 210246075 /nfs/dbraw/zinc/24/60/75/210246075.db2.gz MBWILLBINFCWSR-NRFANRHFSA-N 1 0 380.536 3.807 40 0 GHABRO O=C(c1ccccc1Cn1ccnc1)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019349796 210243803 /nfs/dbraw/zinc/24/38/03/210243803.db2.gz LOZZOSPQRZBOQJ-NRFANRHFSA-N 1 0 380.536 3.802 40 0 GHABRO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1 ZINC000019293833 210239325 /nfs/dbraw/zinc/23/93/25/210239325.db2.gz AOCPTEOGXJPQQM-SFHVURJKSA-N 1 0 394.450 3.518 40 0 GHABRO O=C(CCc1ccncc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294291 210239117 /nfs/dbraw/zinc/23/91/17/210239117.db2.gz GTZNUCRWFDRPOB-XJUOHMSHSA-N 1 0 381.495 3.680 40 0 GHABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)Cc3cccc(C)n3)CC2)C1 ZINC000019236099 210233619 /nfs/dbraw/zinc/23/36/19/210233619.db2.gz CRVXPUAZRZBOSA-UHFFFAOYSA-N 1 0 393.531 3.944 40 0 GHABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019133443 210227463 /nfs/dbraw/zinc/22/74/63/210227463.db2.gz KDTBQLBSQPOOSK-CQSZACIVSA-N 1 0 387.434 3.759 40 0 GHABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293747 209930109 /nfs/dbraw/zinc/93/01/09/209930109.db2.gz OKEGUWIUESQILP-LEWJYISDSA-N 1 0 385.479 3.827 40 0 GHABRO O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000001846111 209340802 /nfs/dbraw/zinc/34/08/02/209340802.db2.gz ARFNSMYWLYZEPU-IBGZPJMESA-N 1 0 380.488 3.699 40 0 in-man GHABRO COc1ccc(CC[NH2+]C[C@@H](O)CSc2ccc(Cl)cc2)cc1OC ZINC000001718134 209336434 /nfs/dbraw/zinc/33/64/34/209336434.db2.gz PQFKIFRCQOOMKL-MRXNPFEDSA-N 1 0 381.925 3.643 40 0 GHABRO Cc1ccc(NC(=O)c2ccc(CSc3nc(N)cc(N)[nH+]3)cc2)c(C)c1 ZINC000001083514 209298699 /nfs/dbraw/zinc/29/86/99/209298699.db2.gz LHMFPDAGRMMGTR-UHFFFAOYSA-N 1 0 379.489 3.802 40 0 GHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306143104 212054530 /nfs/dbraw/zinc/05/45/30/212054530.db2.gz XTIQFCLEPXALJV-PMACEKPBSA-N 1 0 381.476 3.770 40 0 GHABRO Cc1cccc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306135957 212051251 /nfs/dbraw/zinc/05/12/51/212051251.db2.gz PFEDJRCSXJHMFF-JOCHJYFZSA-N 1 0 389.547 3.732 40 0 GHABRO CN(C)C(=O)N1CC[C@@]2(C1)C[N@H+](CC1CC1)Cc1sc(-c3ccccc3)nc12 ZINC000306136615 212050322 /nfs/dbraw/zinc/05/03/22/212050322.db2.gz PYLBBTIBYCDZCK-QFIPXVFZSA-N 1 0 396.560 3.661 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306131493 212048703 /nfs/dbraw/zinc/04/87/03/212048703.db2.gz KGKATXHBRWBYCU-LJQANCHMSA-N 1 0 391.519 3.718 40 0 GHABRO Cn1ccnc1C(=O)N1[C@@H]2CCCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257254898 212012802 /nfs/dbraw/zinc/01/28/02/212012802.db2.gz KFELEZJWAAPFFX-ROLQDKDTSA-N 1 0 392.547 3.509 40 0 GHABRO Cc1nc(-c2cccnc2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257232008 212007183 /nfs/dbraw/zinc/00/71/83/212007183.db2.gz GIZHRUQIOMHQKX-RQXXJAGISA-N 1 0 396.560 3.991 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCCCCC2)c(C)c1 ZINC000225400694 211894982 /nfs/dbraw/zinc/89/49/82/211894982.db2.gz UNJWEEJUTDDCKI-UHFFFAOYSA-N 1 0 377.554 3.724 40 0 GHABRO Fc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019332607 211723528 /nfs/dbraw/zinc/72/35/28/211723528.db2.gz UMPKSFWBTFBFRL-NRFANRHFSA-N 1 0 398.530 3.577 40 0 GHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2c(C)nc(NCC4CC4)nc23)cc1 ZINC000096244493 211324697 /nfs/dbraw/zinc/32/46/97/211324697.db2.gz PXHZRBYRNCTYAM-QHCPKHFHSA-N 1 0 378.520 3.589 40 0 GHABRO c1csc(CN2Cc3ccccc3C3(CCN(CC[NH+]4CCCC4)CC3)C2)n1 ZINC000096242488 211322502 /nfs/dbraw/zinc/32/25/02/211322502.db2.gz VRZQBIQOWYLUCA-UHFFFAOYSA-N 1 0 396.604 3.588 40 0 GHABRO Cc1cc(C)cc(C[NH+]2CCC3(C[C@H](NC(=O)c4cccs4)CO3)CC2)c1 ZINC000096221237 211320092 /nfs/dbraw/zinc/32/00/92/211320092.db2.gz SAFLOEUMZCFTCY-IBGZPJMESA-N 1 0 384.545 3.918 40 0 GHABRO O=C(N[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1cccnc1 ZINC000096090508 211300325 /nfs/dbraw/zinc/30/03/25/211300325.db2.gz HMQUNZQNORWMFU-FQEVSTJZSA-N 1 0 377.488 3.580 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)s1 ZINC000096051627 211296496 /nfs/dbraw/zinc/29/64/96/211296496.db2.gz QLQPNPZNOFMORC-LJQANCHMSA-N 1 0 390.574 3.780 40 0 GHABRO O=C(C[NH+]1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1)N1CCCCC1 ZINC000072374165 211104754 /nfs/dbraw/zinc/10/47/54/211104754.db2.gz GPGFFJLRICPREB-UHFFFAOYSA-N 1 0 397.498 3.551 40 0 GHABRO O=C(NCCO)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072352383 211097584 /nfs/dbraw/zinc/09/75/84/211097584.db2.gz RWVOSAXBNXEMHH-INIZCTEOSA-N 1 0 398.503 3.752 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072348753 211096006 /nfs/dbraw/zinc/09/60/06/211096006.db2.gz RNJVUGOMMWTFGW-IBGZPJMESA-N 1 0 381.520 3.805 40 0 GHABRO Cc1ccccc1Cc1cccc(C2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000072348777 211096031 /nfs/dbraw/zinc/09/60/31/211096031.db2.gz LYBSBLWJUZGRTF-UHFFFAOYSA-N 1 0 377.532 3.783 40 0 GHABRO COc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000046374939 210836926 /nfs/dbraw/zinc/83/69/26/210836926.db2.gz KMGYDSZAOINALB-UHFFFAOYSA-N 1 0 382.504 3.549 40 0 GHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019591763 210275208 /nfs/dbraw/zinc/27/52/08/210275208.db2.gz OJIPYRSUYSHEJL-VWLOTQADSA-N 1 0 385.511 3.929 40 0 GHABRO CCN(CC)C(=O)C[NH+]1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 ZINC000019690275 210281201 /nfs/dbraw/zinc/28/12/01/210281201.db2.gz FUDSMVOZPRQXML-UHFFFAOYSA-N 1 0 383.511 3.859 40 0 GHABRO CCn1c2ccc(C[N@@H+](Cc3sccc3C)C[C@H](C)O)cc2n(CC)c1=O ZINC000012185493 221163905 /nfs/dbraw/zinc/16/39/05/221163905.db2.gz BTRULNSONGKSMJ-INIZCTEOSA-N 1 0 387.549 3.596 40 0 GHABRO O=C(NCCCN1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000219404738 136204294 /nfs/dbraw/zinc/20/42/94/136204294.db2.gz OQIGIOOYMWARHG-UHFFFAOYSA-N 1 0 391.559 3.858 40 0 GHABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccco5)c43)C2)cc1 ZINC000005411593 560201716 /nfs/dbraw/zinc/20/17/16/560201716.db2.gz GOQKRKYXUUWIMW-ZWKOTPCHSA-N 1 0 376.456 3.736 40 0 biogenic,in-vitro GHABRO Cc1c(F)cccc1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000329018920 570212998 /nfs/dbraw/zinc/21/29/98/570212998.db2.gz NTOIZVHTWJKJEU-UHFFFAOYSA-N 1 0 379.483 3.542 40 0 GHABRO CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC(C)C)[nH+]1 ZINC000329019362 570213077 /nfs/dbraw/zinc/21/30/77/570213077.db2.gz NWNLJWGIBXXQJI-UHFFFAOYSA-N 1 0 380.414 3.743 40 0 GHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000219409004 570359285 /nfs/dbraw/zinc/35/92/85/570359285.db2.gz OJXWHYQQIZAERB-UHFFFAOYSA-N 1 0 396.516 3.635 40 0 GHABRO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000057698467 570365255 /nfs/dbraw/zinc/36/52/55/570365255.db2.gz SVSXLBRHFDFOOD-XLIONFOSSA-N 1 0 378.582 3.869 40 0 GHABRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000024389664 570383125 /nfs/dbraw/zinc/38/31/25/570383125.db2.gz NLWNLSSPTNHCIJ-UHFFFAOYSA-N 1 0 382.504 3.549 40 0 GHABRO CCC1(CNC(=O)N2CC[C@]3(C2)CCCOC3)CC[NH+](Cc2ccccc2)CC1 ZINC000671212285 570422127 /nfs/dbraw/zinc/42/21/27/570422127.db2.gz CJZJSPSMSKSEFK-DEOSSOPVSA-N 1 0 399.579 3.891 40 0 GHABRO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039759301 570450007 /nfs/dbraw/zinc/45/00/07/570450007.db2.gz ZXEHVMHLGBXCCY-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223276746 570455159 /nfs/dbraw/zinc/45/51/59/570455159.db2.gz IEZTWTINSQGLHP-NHCUHLMSSA-N 1 0 397.592 3.922 40 0 GHABRO Cc1c(C)n(C[C@H](O)C[N@@H+](C)Cc2ccc(OCCCO)cc2)c2ccccc12 ZINC000257326099 570487460 /nfs/dbraw/zinc/48/74/60/570487460.db2.gz WVUTXZQDDGBSNA-OAQYLSRUSA-N 1 0 396.531 3.512 40 0 GHABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c(C)c1 ZINC000224551661 570517553 /nfs/dbraw/zinc/51/75/53/570517553.db2.gz JOHRAGBZNNNRST-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000224551597 570517874 /nfs/dbraw/zinc/51/78/74/570517874.db2.gz ADRGNFRLESSTRX-UHFFFAOYSA-N 1 0 384.495 3.795 40 0 GHABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624748 570521193 /nfs/dbraw/zinc/52/11/93/570521193.db2.gz XHQXYPIRVYTDBW-JOCHJYFZSA-N 1 0 382.504 3.765 40 0 GHABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)c1 ZINC000225055485 570545790 /nfs/dbraw/zinc/54/57/90/570545790.db2.gz YVYDIEUBDASYQV-UHFFFAOYSA-N 1 0 395.528 3.759 40 0 GHABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1N1CCCC1=O ZINC000225401314 570570205 /nfs/dbraw/zinc/57/02/05/570570205.db2.gz IJQIFSXSIGBWRN-UHFFFAOYSA-N 1 0 388.581 3.674 40 0 GHABRO COc1ccccc1-n1cccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C)O ZINC000012118143 570612229 /nfs/dbraw/zinc/61/22/29/570612229.db2.gz HMULMWFPIVUHFO-QGZVFWFLSA-N 1 0 394.471 3.598 40 0 GHABRO O[C@H](C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 ZINC000012292302 570633271 /nfs/dbraw/zinc/63/32/71/570633271.db2.gz ZXDHLFIMIQVJNC-OAQYLSRUSA-N 1 0 391.467 3.586 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 ZINC000012292720 570633785 /nfs/dbraw/zinc/63/37/85/570633785.db2.gz PCXVPJDVCBCGEO-RTBURBONSA-N 1 0 391.870 3.863 40 0 GHABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000044911490 570642077 /nfs/dbraw/zinc/64/20/77/570642077.db2.gz GGMPNECJJCYSNT-UHFFFAOYSA-N 1 0 384.451 3.853 40 0 GHABRO COc1ccccc1N1CC[NH+](CCc2ccc3c(Cl)ccc(O)c3n2)CC1 ZINC000059474707 570657463 /nfs/dbraw/zinc/65/74/63/570657463.db2.gz ONZWAHNKHXDROA-UHFFFAOYSA-N 1 0 397.906 3.967 40 0 GHABRO CN(CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000260507390 570681971 /nfs/dbraw/zinc/68/19/71/570681971.db2.gz KXEPBDRQHFOZAH-FQEVSTJZSA-N 1 0 383.511 3.680 40 0 GHABRO Fc1ccc(-c2cnc(Nc3ccc(C[C@H]4C[NH2+]CCOC4)cn3)s2)cc1 ZINC000585262797 570715697 /nfs/dbraw/zinc/71/56/97/570715697.db2.gz GUBJKJHQPQGEOV-HNNXBMFYSA-N 1 0 384.480 3.866 40 0 GHABRO CC(C)C[C@@H](O)C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100375 570924818 /nfs/dbraw/zinc/92/48/18/570924818.db2.gz KMXFBALNFOBJGJ-IRLDBZIGSA-N 1 0 394.506 3.719 40 0 GHABRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)ccc1O ZINC000019569215 570927695 /nfs/dbraw/zinc/92/76/95/570927695.db2.gz QLSDPSXDBKELMS-LTMIRXACSA-N 1 0 383.488 3.529 40 0 GHABRO CC(C)COC(=O)NC1CC2(C1)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000585103596 570929182 /nfs/dbraw/zinc/92/91/82/570929182.db2.gz PTRRTZIDUGRLOT-UHFFFAOYSA-N 1 0 396.535 3.999 40 0 GHABRO CC1(C(=O)NC2CC3(C2)CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC3)CC1 ZINC000585103965 570929779 /nfs/dbraw/zinc/92/97/79/570929779.db2.gz URVFENJVQDOUNO-UHFFFAOYSA-N 1 0 378.520 3.738 40 0 GHABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)cc1F ZINC000585104548 570932825 /nfs/dbraw/zinc/93/28/25/570932825.db2.gz QDFVENMSQUKVPV-FXAWDEMLSA-N 1 0 388.527 3.877 40 0 GHABRO CCCC[C@@H](c1nnnn1CCc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000020142175 570941958 /nfs/dbraw/zinc/94/19/58/570941958.db2.gz UBVNPEANJCLKBS-QFIPXVFZSA-N 1 0 396.583 3.707 40 0 GHABRO Cc1c(C[N@@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cnn1C ZINC000019704537 856424874 /nfs/dbraw/zinc/42/48/74/856424874.db2.gz AAYHCOKGWOKUIC-OAHLLOKOSA-N 1 0 385.899 3.674 40 0 GHABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cnn3cccnc23)cc1 ZINC000248126641 870293563 /nfs/dbraw/zinc/29/35/63/870293563.db2.gz LXRSIIATOJFJAP-FUHWJXTLSA-N 1 0 377.492 3.502 40 0 GHABRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019565227 210264974 /nfs/dbraw/zinc/26/49/74/210264974.db2.gz AYRHASJNQBFAIH-HXUWFJFHSA-N 1 0 376.460 3.980 40 0 GHABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019555290 210262244 /nfs/dbraw/zinc/26/22/44/210262244.db2.gz KJRNURKZTIJBJN-HXUWFJFHSA-N 1 0 376.460 3.568 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc1 ZINC000019555042 210261888 /nfs/dbraw/zinc/26/18/88/210261888.db2.gz CSDWDNVRVHQUQD-UHFFFAOYSA-N 1 0 376.460 3.632 40 0 GHABRO CCN(CC)[C@H](C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1ccco1 ZINC000019526305 210256026 /nfs/dbraw/zinc/25/60/26/210256026.db2.gz OSPHPCQGKPGJGJ-HXUWFJFHSA-N 1 0 390.491 3.557 40 0 GHABRO CCOc1cccc([C@@H](O)C[N@H+](C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)c1 ZINC000019519995 210255444 /nfs/dbraw/zinc/25/54/44/210255444.db2.gz QLRDMBLRRULLAD-LEWJYISDSA-N 1 0 395.503 3.979 40 0 GHABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)C1 ZINC000019462578 210253387 /nfs/dbraw/zinc/25/33/87/210253387.db2.gz DFWHBCZURRWXHU-OKILXGFUSA-N 1 0 396.457 3.573 40 0 GHABRO C[C@@H]1CCCN(c2cc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)ccn2)C1 ZINC000019496617 210253198 /nfs/dbraw/zinc/25/31/98/210253198.db2.gz CHOLBNBCTWXMEK-TZIWHRDSSA-N 1 0 384.568 3.799 40 0 GHABRO C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C)n1ccnc1 ZINC000019455392 210250631 /nfs/dbraw/zinc/25/06/31/210250631.db2.gz HAQIBTIQJBPTHJ-RJSMDTJLSA-N 1 0 380.536 3.703 40 0 GHABRO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 ZINC000019450574 210247722 /nfs/dbraw/zinc/24/77/22/210247722.db2.gz WBGBTPDOVFLSLT-LJQANCHMSA-N 1 0 390.487 3.609 40 0 GHABRO O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)N1CCOCC1)[NH+]1CCCCC1 ZINC000019365931 210243866 /nfs/dbraw/zinc/24/38/66/210243866.db2.gz XQNGBFJNJXVYJR-XZOQPEGZSA-N 1 0 378.516 3.797 40 0 GHABRO NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2ccccc2F)C1 ZINC000019348794 210243580 /nfs/dbraw/zinc/24/35/80/210243580.db2.gz IAPXTUTVHIBBRP-XMMPIXPASA-N 1 0 389.474 3.808 40 0 GHABRO O=C(NCC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019339089 210242254 /nfs/dbraw/zinc/24/22/54/210242254.db2.gz NHFMQUVJRHNPIZ-LJQANCHMSA-N 1 0 382.508 3.759 40 0 GHABRO Cn1nc(C2CC2)cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019288846 210237156 /nfs/dbraw/zinc/23/71/56/210237156.db2.gz GJMFYINRIXCJAU-WPYKKVEZSA-N 1 0 392.547 3.780 40 0 GHABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000019291373 210237058 /nfs/dbraw/zinc/23/70/58/210237058.db2.gz NEWARMKUVZKCRX-RTHVDDQRSA-N 1 0 380.319 3.847 40 0 GHABRO COc1ccccc1C[N@H+]1C[C@@H](c2ccccc2F)[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000019285540 210235030 /nfs/dbraw/zinc/23/50/30/210235030.db2.gz UJMDJBGACIFKSZ-RBUKOAKNSA-N 1 0 393.462 3.609 40 0 GHABRO Cc1cc(-c2cnc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc2-c2cccs2)on1 ZINC000019124071 210227612 /nfs/dbraw/zinc/22/76/12/210227612.db2.gz ANKLIAVHAIUGDZ-OAHLLOKOSA-N 1 0 381.505 3.843 40 0 GHABRO Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019136095 210226985 /nfs/dbraw/zinc/22/69/85/210226985.db2.gz HQSNGCVGYDNRSF-UWJYYQICSA-N 1 0 378.520 3.630 40 0 GHABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)Cc3cccnc3)CC2)C1 ZINC000019019864 210224374 /nfs/dbraw/zinc/22/43/74/210224374.db2.gz KLNFSLIRSAZDMS-UHFFFAOYSA-N 1 0 379.504 3.636 40 0 GHABRO Cc1nc(-c2ccccc2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 ZINC000008623054 291133755 /nfs/dbraw/zinc/13/37/55/291133755.db2.gz SFNXTXRSQYCFIC-ZCNNSNEGSA-N 1 0 392.547 3.792 40 0 biogenic,in-vitro GHABRO Cc1ccc(N2CCN(CCC[NH+]3CCN(c4ccc(C)cc4)CC3)CC2)cc1 ZINC000002022102 209343590 /nfs/dbraw/zinc/34/35/90/209343590.db2.gz NMKDWMCSZAMACR-UHFFFAOYSA-N 1 0 392.591 3.638 40 0 GHABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2N)CC1 ZINC000226265322 209187274 /nfs/dbraw/zinc/18/72/74/209187274.db2.gz BNCDKMUZPOJRGA-UHFFFAOYSA-N 1 0 380.536 3.961 40 0 GHABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)C3)cc1 ZINC000306145075 212056952 /nfs/dbraw/zinc/05/69/52/212056952.db2.gz ZWZXMLHSRMZIBS-QHCPKHFHSA-N 1 0 391.446 3.866 40 0 GHABRO c1cc(C[NH+]2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)cs1 ZINC000306144532 212054930 /nfs/dbraw/zinc/05/49/30/212054930.db2.gz ZICBXEMJMUMFFT-UHFFFAOYSA-N 1 0 376.489 3.787 40 0 GHABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)s1 ZINC000306136024 212051781 /nfs/dbraw/zinc/05/17/81/212051781.db2.gz PGWWMKSKCKFEBC-NHCUHLMSSA-N 1 0 377.513 3.940 40 0 GHABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccs4)C[C@@H]32)cc1 ZINC000306131840 212049150 /nfs/dbraw/zinc/04/91/50/212049150.db2.gz KQRFNWHLWDTITL-SFTDATJTSA-N 1 0 393.512 3.640 40 0 GHABRO C[C@@]12C[C@H]3CN(C(=O)c4ccc(Cc5ccccc5F)nc4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257341119 212028589 /nfs/dbraw/zinc/02/85/89/212028589.db2.gz ZIWUYRBQPYVZKJ-KZDDHRSZSA-N 1 0 393.506 3.947 40 0 GHABRO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)ncn1 ZINC000257333151 212025164 /nfs/dbraw/zinc/02/51/64/212025164.db2.gz YAJBLLWMPJJCDG-QGZVFWFLSA-N 1 0 380.496 3.590 40 0 GHABRO Cn1nccc1C(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000257326939 212026107 /nfs/dbraw/zinc/02/61/07/212026107.db2.gz WZEHXIFIDMHNLF-NWSQWKLXSA-N 1 0 380.536 3.510 40 0 GHABRO CC(C)c1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)[nH]n1 ZINC000257268821 212014385 /nfs/dbraw/zinc/01/43/85/212014385.db2.gz MNIGFSGNTRHOSF-PHQLXWQESA-N 1 0 392.547 3.890 40 0 GHABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257273397 212014777 /nfs/dbraw/zinc/01/47/77/212014777.db2.gz NGKADXDHAYMXPT-QGZVFWFLSA-N 1 0 387.911 3.721 40 0 GHABRO CNc1ncccc1C[N@@H+]1CC[C@@H](Cc2cccc(-c3c(C)noc3C)n2)C1 ZINC000257251387 212010440 /nfs/dbraw/zinc/01/04/40/212010440.db2.gz JQNLALNZGLVLFM-KRWDZBQOSA-N 1 0 377.492 3.855 40 0 GHABRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cn1 ZINC000225943627 211936553 /nfs/dbraw/zinc/93/65/53/211936553.db2.gz YQSVGKLIFMKCTE-UHFFFAOYSA-N 1 0 375.900 3.883 40 0 GHABRO CC[C@H](C)Nc1nc(N2CCc3cc(OC)c(OC)cc3C2)cc(C(C)C)[nH+]1 ZINC000328975102 209154289 /nfs/dbraw/zinc/15/42/89/209154289.db2.gz FJMMVRPTCPMABX-HNNXBMFYSA-N 1 0 384.524 3.812 40 0 GHABRO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224614847 211867622 /nfs/dbraw/zinc/86/76/22/211867622.db2.gz FIAPEZAUKYZBGM-QFIPXVFZSA-N 1 0 382.504 3.765 40 0 GHABRO COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)[NH+](C)C)CC2)c1 ZINC000100750183 211390560 /nfs/dbraw/zinc/39/05/60/211390560.db2.gz LDMWXTFTKNUZFH-SVMVAKDDSA-N 1 0 381.520 3.929 40 0 GHABRO CN(c1ccc2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cn21)c1ccc(F)cc1 ZINC000096146192 211310347 /nfs/dbraw/zinc/31/03/47/211310347.db2.gz AMYFRHDMCWTMSX-HXUWFJFHSA-N 1 0 380.467 3.622 40 0 GHABRO Fc1ccc(-c2cccc(C[NH+]3CCC(c4nnc5n4CCNC5)CC3)c2)cc1 ZINC000072372105 211101934 /nfs/dbraw/zinc/10/19/34/211101934.db2.gz CSIZXZFXRINRPS-UHFFFAOYSA-N 1 0 391.494 3.567 40 0 GHABRO O=C(C[N@@H+]1CCC[C@H](Cn2ccnc2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000072399257 211112441 /nfs/dbraw/zinc/11/24/41/211112441.db2.gz NERJRFQIPFBTFN-FQEVSTJZSA-N 1 0 395.551 3.614 40 0 GHABRO Cc1cnc(C(=O)N2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)cn1 ZINC000072374927 211106602 /nfs/dbraw/zinc/10/66/02/211106602.db2.gz GEDNWJCFVQABEN-QGZVFWFLSA-N 1 0 388.475 3.647 40 0 GHABRO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCCC1 ZINC000072348782 211095500 /nfs/dbraw/zinc/09/55/00/211095500.db2.gz MZECRUCSNJHSCD-IBGZPJMESA-N 1 0 381.495 3.613 40 0 GHABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000072345975 211095005 /nfs/dbraw/zinc/09/50/05/211095005.db2.gz SXUDYMCSZFIBKP-KRWDZBQOSA-N 1 0 375.476 3.509 40 0 GHABRO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000072362580 211101405 /nfs/dbraw/zinc/10/14/05/211101405.db2.gz RWANXUGWLQWSRB-KRWDZBQOSA-N 1 0 393.491 3.699 40 0 GHABRO Cc1cccc(Cc2cccc([C@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)c1 ZINC000072348779 211095872 /nfs/dbraw/zinc/09/58/72/211095872.db2.gz FUESCDUSYCFDFH-NRFANRHFSA-N 1 0 377.532 3.783 40 0 GHABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763155 210294963 /nfs/dbraw/zinc/29/49/63/210294963.db2.gz FQKBLQNFWFQZSZ-FQEVSTJZSA-N 1 0 378.520 3.791 40 0 GHABRO CCCOc1ccccc1-c1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)[nH]n1 ZINC000019715588 210287841 /nfs/dbraw/zinc/28/78/41/210287841.db2.gz GIAUVGDDIKWPOZ-UHFFFAOYSA-N 1 0 382.508 3.566 40 0 GHABRO Cc1ccccc1C[N@H+]1CC=C(c2nc(C)c(C)c(N3CCOCC3)n2)CC1 ZINC000072339598 136168644 /nfs/dbraw/zinc/16/86/44/136168644.db2.gz XCZZAQPBYGYOQT-UHFFFAOYSA-N 1 0 378.520 3.528 40 0 GHABRO C[C@@]1(O)CC[N@H+](CC2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289041 560033477 /nfs/dbraw/zinc/03/34/77/560033477.db2.gz FKKWNANWAJZEQW-IRFCIJBXSA-N 1 0 388.508 3.594 40 0 biogenic,in-vitro GHABRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1C ZINC000585283688 570251912 /nfs/dbraw/zinc/25/19/12/570251912.db2.gz GUQXIHMIVDPPDV-IBGZPJMESA-N 1 0 380.488 3.704 40 0 GHABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585287663 570258938 /nfs/dbraw/zinc/25/89/38/570258938.db2.gz QJWPCLQEOXXRKI-RDAXPCIFSA-N 1 0 397.506 3.746 40 0 GHABRO C[C@H]1CCCC[C@H]1[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000057698497 570365300 /nfs/dbraw/zinc/36/53/00/570365300.db2.gz SVSXLBRHFDFOOD-FXAWDEMLSA-N 1 0 378.582 3.869 40 0 GHABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000057762054 570372817 /nfs/dbraw/zinc/37/28/17/570372817.db2.gz QRMFOXCNQJVINU-MRXNPFEDSA-N 1 0 383.492 3.567 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223289176 570456108 /nfs/dbraw/zinc/45/61/08/570456108.db2.gz FMBLUBSTGDJFPA-SFTDATJTSA-N 1 0 397.592 3.922 40 0 GHABRO COc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000006235331 570472946 /nfs/dbraw/zinc/47/29/46/570472946.db2.gz VXKQBICNHNRKAI-UHFFFAOYSA-N 1 0 383.517 3.808 40 0 GHABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000006517667 570482417 /nfs/dbraw/zinc/48/24/17/570482417.db2.gz GWVHNMRKBHDJNL-UHFFFAOYSA-N 1 0 396.560 3.572 40 0 GHABRO CCOCCOc1ccc(C[N@H+](C)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000257265150 570488076 /nfs/dbraw/zinc/48/80/76/570488076.db2.gz LXMSVMQXMIZMIC-OAQYLSRUSA-N 1 0 382.504 3.550 40 0 GHABRO COc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OC ZINC000008011634 570520623 /nfs/dbraw/zinc/52/06/23/570520623.db2.gz OOVMQJLVWJDXII-ZRDIBKRKSA-N 1 0 380.488 3.629 40 0 GHABRO Cc1ccccc1N1CC[NH+](CCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000010150682 570565849 /nfs/dbraw/zinc/56/58/49/570565849.db2.gz ORDGDFJLFNLXML-UHFFFAOYSA-N 1 0 391.515 3.584 40 0 GHABRO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc(OC)c1OC ZINC000010281582 570567474 /nfs/dbraw/zinc/56/74/74/570567474.db2.gz GLFCVKOFYGIBNQ-UHFFFAOYSA-N 1 0 398.503 3.628 40 0 GHABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]21 ZINC000072389829 570576432 /nfs/dbraw/zinc/57/64/32/570576432.db2.gz RWQSLEIHKWWOHZ-QYWGDWMGSA-N 1 0 386.879 3.502 40 0 GHABRO COC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834518 570585710 /nfs/dbraw/zinc/58/57/10/570585710.db2.gz QKQZLTYSKGCORW-INIZCTEOSA-N 1 0 386.879 3.977 40 0 GHABRO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225729535 570609785 /nfs/dbraw/zinc/60/97/85/570609785.db2.gz XOSYTDSOOFBESQ-OKILXGFUSA-N 1 0 397.972 3.781 40 0 GHABRO COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccc(O)cc2)C[C@@H]2CCCO2)cc1 ZINC000012116802 570611434 /nfs/dbraw/zinc/61/14/34/570611434.db2.gz XFKOBNFRXQNSGS-QFIPXVFZSA-N 1 0 393.487 3.972 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225743547 570612334 /nfs/dbraw/zinc/61/23/34/570612334.db2.gz LLJYPSAWRIEYDS-UHFFFAOYSA-N 1 0 397.544 3.598 40 0 GHABRO CCc1ccc2[nH]c(=O)c(C[NH2+]C3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000004132795 570617844 /nfs/dbraw/zinc/61/78/44/570617844.db2.gz DOABQNQIXPOLFH-UHFFFAOYSA-N 1 0 375.516 3.845 40 0 GHABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000012239792 570630074 /nfs/dbraw/zinc/63/00/74/570630074.db2.gz WJFJNHZZGQCDPL-HXUWFJFHSA-N 1 0 382.552 3.721 40 0 GHABRO Fc1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000044222107 570632583 /nfs/dbraw/zinc/63/25/83/570632583.db2.gz OADNFXGNRSYTNY-UHFFFAOYSA-N 1 0 378.904 3.825 40 0 GHABRO COc1ccccc1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044906639 570641771 /nfs/dbraw/zinc/64/17/71/570641771.db2.gz NGOPAKPWMBTWIG-HXUWFJFHSA-N 1 0 384.495 3.795 40 0 GHABRO Cc1ccsc1C[N@@H+]1CCc2[nH]c3cc(-c4ccoc4C)nn3c(=O)c2C1 ZINC000012667161 570696981 /nfs/dbraw/zinc/69/69/81/570696981.db2.gz UHALRMVDQNELCL-UHFFFAOYSA-N 1 0 380.473 3.932 40 0 GHABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000089212641 570747940 /nfs/dbraw/zinc/74/79/40/570747940.db2.gz HIYHTVMFEBBJAI-INIZCTEOSA-N 1 0 383.330 3.981 40 0 GHABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](CCc1ccccc1)CC2 ZINC000585099792 570925840 /nfs/dbraw/zinc/92/58/40/570925840.db2.gz AAPBBRSWRFEYBF-HSZRJFAPSA-N 1 0 381.520 3.881 40 0 GHABRO Cc1nc(C)c(C[N@@H+]2C[C@H](C(=O)NCCC(C)(C)C)C3(C2)CCOCC3)s1 ZINC000585101811 570927290 /nfs/dbraw/zinc/92/72/90/570927290.db2.gz AVPOCRIWEQZYME-QGZVFWFLSA-N 1 0 393.597 3.541 40 0 GHABRO CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000020139984 570941971 /nfs/dbraw/zinc/94/19/71/570941971.db2.gz KHHRRXCIUMSBBV-OAQYLSRUSA-N 1 0 396.583 3.776 40 0 GHABRO Fc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000228919909 570951669 /nfs/dbraw/zinc/95/16/69/570951669.db2.gz XZCXLQBLXKHLOZ-UHFFFAOYSA-N 1 0 380.349 3.652 40 0 GHABRO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004860318 570998277 /nfs/dbraw/zinc/99/82/77/570998277.db2.gz WAUKQBSIVYNPOP-MELADBBJSA-N 1 0 389.471 3.789 40 0 GHABRO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063281 856409968 /nfs/dbraw/zinc/40/99/68/856409968.db2.gz PLBQWWDKATVALD-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cc(F)ccc2OC)c(OC)c1 ZINC000019552140 856420830 /nfs/dbraw/zinc/42/08/30/856420830.db2.gz JUKSONIFRMKDHP-RBUKOAKNSA-N 1 0 375.440 3.722 40 0 GHABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248289313 870324653 /nfs/dbraw/zinc/32/46/53/870324653.db2.gz JALDVPLLLKZRIJ-WZONZLPQSA-N 1 0 398.503 3.566 40 0 GHABRO COc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019577378 210268180 /nfs/dbraw/zinc/26/81/80/210268180.db2.gz VAKKKQCOXVTBPN-OAQYLSRUSA-N 1 0 380.536 3.817 40 0 GHABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)N4CCCCC4)on3)CC2)c1 ZINC000019564907 210265194 /nfs/dbraw/zinc/26/51/94/210265194.db2.gz MQAWNWMDMNWXDO-UHFFFAOYSA-N 1 0 383.492 3.689 40 0 GHABRO Cc1nn(CC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@H+]3C)c(C)c1C ZINC000019556498 210260596 /nfs/dbraw/zinc/26/05/96/210260596.db2.gz KZFAKZUDCXXNIW-CQOQZXRMSA-N 1 0 394.563 3.677 40 0 GHABRO CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cc1OC ZINC000019533924 210259773 /nfs/dbraw/zinc/25/97/73/210259773.db2.gz YKMJJSOVBBSRBH-YYDVJCTNSA-N 1 0 382.504 3.527 40 0 GHABRO CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019501408 210254452 /nfs/dbraw/zinc/25/44/52/210254452.db2.gz CRORMQISPTWTOL-LJQANCHMSA-N 1 0 386.540 3.727 40 0 GHABRO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@@H+]([C@@H](C)Cc3ccc(F)cc3)C1)CC2 ZINC000019456785 210250829 /nfs/dbraw/zinc/25/08/29/210250829.db2.gz BNBNWBMDHVTXPC-QMHKHESXSA-N 1 0 382.479 3.586 40 0 GHABRO C=Cn1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4cccc(C)c4)n3)CC2)c1C ZINC000019235535 210232810 /nfs/dbraw/zinc/23/28/10/210232810.db2.gz CQDUJOVFHSVTOM-UHFFFAOYSA-N 1 0 389.503 3.730 40 0 GHABRO Cc1cccc(O[C@H](C)c2nnc(NC(=O)[C@H]3C[NH+]4CCC3CC4)s2)c1C ZINC000019235681 210232843 /nfs/dbraw/zinc/23/28/43/210232843.db2.gz XPZRZGNRYNRLQG-ZBFHGGJFSA-N 1 0 386.521 3.575 40 0 GHABRO CC[NH2+]Cc1cc(Cl)c(OCC(=O)NCCc2ccccc2)c(OCC)c1 ZINC000036612295 210154923 /nfs/dbraw/zinc/15/49/23/210154923.db2.gz SWUVHKSBSRFURG-UHFFFAOYSA-N 1 0 390.911 3.586 40 0 GHABRO O=c1cc(-c2ccccn2)nc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)[nH]1 ZINC000013267958 210057145 /nfs/dbraw/zinc/05/71/45/210057145.db2.gz ZQQLPQUDZFYKSM-UHFFFAOYSA-N 1 0 382.414 3.902 40 0 GHABRO c1csc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306141203 212054379 /nfs/dbraw/zinc/05/43/79/212054379.db2.gz VOGLCUFDWGMXHA-OAQYLSRUSA-N 1 0 395.484 3.515 40 0 GHABRO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccc(C)c4)C[C@@H]32)cs1 ZINC000306140890 212053114 /nfs/dbraw/zinc/05/31/14/212053114.db2.gz VGEVRNGKYZLVRB-RTWAWAEBSA-N 1 0 392.528 3.643 40 0 GHABRO COc1ccc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccc(OC)cc5)n4C[C@H]3C2)cc1 ZINC000306134059 212051730 /nfs/dbraw/zinc/05/17/30/212051730.db2.gz NCSUQYUOSZPOIV-VQTJNVASSA-N 1 0 389.499 3.872 40 0 GHABRO CN1CC[N@H+](Cc2cccs2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306127781 212046987 /nfs/dbraw/zinc/04/69/87/212046987.db2.gz GHLKVRSRGMBQGU-OAQYLSRUSA-N 1 0 389.528 3.947 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(CC4CCC4)nc23)s1 ZINC000306131306 212048879 /nfs/dbraw/zinc/04/88/79/212048879.db2.gz KAXKRKZSVRJZRD-UHFFFAOYSA-N 1 0 398.576 3.673 40 0 GHABRO c1cc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cs1 ZINC000306127390 212047896 /nfs/dbraw/zinc/04/78/96/212047896.db2.gz FXKGHKUYFMOZKV-OAQYLSRUSA-N 1 0 395.484 3.515 40 0 GHABRO O=C1C[C@H]2[N@H+](CC3CC3)CC[C@@]2(c2ccccc2)CCN1Cc1ccccn1 ZINC000306128893 212046275 /nfs/dbraw/zinc/04/62/75/212046275.db2.gz HNTYLAAEHVELCQ-VWNXMTODSA-N 1 0 375.516 3.626 40 0 GHABRO C[C@]12CCCN(C(=O)c3ccnc(Cc4ccc(F)cc4)c3)[C@H]1CCCC[NH2+]2 ZINC000257327979 212026212 /nfs/dbraw/zinc/02/62/12/212026212.db2.gz XDQPURJCVREHDR-GMAHTHKFSA-N 1 0 381.495 3.948 40 0 GHABRO Cc1ncsc1-c1cc(C(=O)N2CCCC[C@@H]3[N@H+](C)CCC[C@@]32C)ccn1 ZINC000257308043 212021654 /nfs/dbraw/zinc/02/16/54/212021654.db2.gz TVENDMFKILUVGB-RXVVDRJESA-N 1 0 384.549 3.993 40 0 GHABRO Cc1ncsc1C(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257302983 212019413 /nfs/dbraw/zinc/01/94/13/212019413.db2.gz SFHFLOWDLSCSMW-JWPKLBNJSA-N 1 0 381.545 3.808 40 0 GHABRO CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)C[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000257269591 212014378 /nfs/dbraw/zinc/01/43/78/212014378.db2.gz MQPFXBWELRDSOR-SIKLNZKXSA-N 1 0 398.547 3.640 40 0 GHABRO C[NH+](C)CCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257224417 212007874 /nfs/dbraw/zinc/00/78/74/212007874.db2.gz FBSVWWGNSBZQBU-UHFFFAOYSA-N 1 0 384.495 3.510 40 0 GHABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NC(C)C)[nH+]1 ZINC000329060333 209159310 /nfs/dbraw/zinc/15/93/10/209159310.db2.gz WMBJURHVQHHQCM-UHFFFAOYSA-N 1 0 375.314 3.606 40 0 GHABRO COc1ccc([N+]2=C3CCCCCN3[C@](O)(c3ccc(C)cc3)C2)c(OC)c1 ZINC000027525161 211851703 /nfs/dbraw/zinc/85/17/03/211851703.db2.gz FYPFSQDJAQMJNA-HSZRJFAPSA-N 1 0 381.496 3.663 40 0 GHABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000005258758 211562842 /nfs/dbraw/zinc/56/28/42/211562842.db2.gz JMYQPHVQYYQNOG-WZRBSPASSA-N 1 0 378.257 3.730 40 0 GHABRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1)c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1 ZINC000100769450 211391197 /nfs/dbraw/zinc/39/11/97/211391197.db2.gz GWTUNJIXEYWSKI-JOCHJYFZSA-N 1 0 398.482 3.955 40 0 GHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000100750241 211390229 /nfs/dbraw/zinc/39/02/29/211390229.db2.gz JHPBQUQFLRXRBS-FVJLSDCUSA-N 1 0 397.567 3.941 40 0 GHABRO COc1ccccc1C[N@@H+]1CCc2[nH]c3cc(-c4ccoc4C)nn3c(=O)c2C1 ZINC000100141731 211384639 /nfs/dbraw/zinc/38/46/39/211384639.db2.gz CHCYOMJCPGHOBL-UHFFFAOYSA-N 1 0 390.443 3.570 40 0 GHABRO C[N@@H+]1CCCN(C(=O)c2ccnn2-c2ccc3ccc(-c4ccccc4)cn32)CC1 ZINC000096155236 211311207 /nfs/dbraw/zinc/31/12/07/211311207.db2.gz FKHYYDXVBCUUTH-UHFFFAOYSA-N 1 0 399.498 3.570 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)cc1 ZINC000096047541 211296737 /nfs/dbraw/zinc/29/67/37/211296737.db2.gz JQEVEOCPYBYXCI-QHCPKHFHSA-N 1 0 379.504 3.638 40 0 GHABRO O=S(=O)(c1ccccc1)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096046624 211296362 /nfs/dbraw/zinc/29/63/62/211296362.db2.gz PDWJXHKWAMWZOD-UHFFFAOYSA-N 1 0 388.508 3.503 40 0 GHABRO CC(C)CCN1[C@]2(CC[N@H+](Cc3ccccc3)C2)c2ccccc2S1(=O)=O ZINC000096143268 211308420 /nfs/dbraw/zinc/30/84/20/211308420.db2.gz HMKBRGNAVDKLCI-QFIPXVFZSA-N 1 0 384.545 3.838 40 0 GHABRO CCOC(=O)C1CCN(C2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000095774914 211282701 /nfs/dbraw/zinc/28/27/01/211282701.db2.gz IRUVPJVUCTVFQT-UHFFFAOYSA-N 1 0 378.516 3.735 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)CC1 ZINC000072359210 211101287 /nfs/dbraw/zinc/10/12/87/211101287.db2.gz LBUHBBZFLJOZAO-GOSISDBHSA-N 1 0 398.938 3.845 40 0 GHABRO CCc1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000072350518 211096907 /nfs/dbraw/zinc/09/69/07/211096907.db2.gz PKZGKKGTNAWVIF-SFHVURJKSA-N 1 0 377.492 3.613 40 0 GHABRO C[C@@H]1CCc2nc(NC(=O)CC3CC[NH+](Cc4ccccn4)CC3)sc2C1 ZINC000019748772 210292577 /nfs/dbraw/zinc/29/25/77/210292577.db2.gz QBZZVXXKBPPSFD-OAHLLOKOSA-N 1 0 384.549 3.904 40 0 GHABRO Cc1nn(C)c2nc([C@H]3CCC[N@H+](Cc4c(C)nc5cc(C)ccn54)C3)ccc12 ZINC000019742498 210292187 /nfs/dbraw/zinc/29/21/87/210292187.db2.gz OGJASZBHSIYPSB-SFHVURJKSA-N 1 0 388.519 3.921 40 0 GHABRO Cc1ccc([C@@]2(O)CCN(C(=O)CC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000019719877 210289147 /nfs/dbraw/zinc/28/91/47/210289147.db2.gz AFBPVYZXOMSVFZ-XMMPIXPASA-N 1 0 384.564 3.850 40 0 GHABRO Fc1ccccc1-c1ccccc1CN1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019706394 210283906 /nfs/dbraw/zinc/28/39/06/210283906.db2.gz XAMGKNRAHIWBLD-OAQYLSRUSA-N 1 0 391.494 3.567 40 0 GHABRO Cc1ccccc1C[NH+]1CCN(c2c(F)cccc2[C@H](O)c2ccccn2)CC1 ZINC000072340701 136168561 /nfs/dbraw/zinc/16/85/61/136168561.db2.gz KFNCZCUGSSLLHR-DEOSSOPVSA-N 1 0 391.490 3.933 40 0 GHABRO CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000113970403 136192158 /nfs/dbraw/zinc/19/21/58/136192158.db2.gz BOFUGXLZKWGVGZ-JOCHJYFZSA-N 1 0 381.520 3.797 40 0 GHABRO CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113951691 536048256 /nfs/dbraw/zinc/04/82/56/536048256.db2.gz VEXCFDSFTXOIMG-NRFANRHFSA-N 1 0 381.520 3.851 40 0 GHABRO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[N@@H+]3CCC[C@H]3CO)C=C2C)o1 ZINC000035442705 560079583 /nfs/dbraw/zinc/07/95/83/560079583.db2.gz WHKCGHGWZXKWPZ-MUGJNUQGSA-N 1 0 375.557 3.876 40 0 biogenic,in-vitro GHABRO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1 ZINC000049169112 560084824 /nfs/dbraw/zinc/08/48/24/560084824.db2.gz DCMFKLUZCFQZBO-INIZCTEOSA-N 1 0 376.522 3.991 40 0 biogenic,in-vitro GHABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(Cl)cc5)c43)C2)CC1 ZINC000004237525 560197898 /nfs/dbraw/zinc/19/78/98/560197898.db2.gz VAMGWAIDPBZCHQ-FUHWJXTLSA-N 1 0 397.950 3.682 40 0 biogenic,in-vitro GHABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022446614 570317094 /nfs/dbraw/zinc/31/70/94/570317094.db2.gz BJWLIQNCLGRWFV-CAUSLRQDSA-N 1 0 388.596 3.643 40 0 GHABRO C[C@@H]1CCCC[C@H]1[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000057698493 570365229 /nfs/dbraw/zinc/36/52/29/570365229.db2.gz SVSXLBRHFDFOOD-YLJYHZDGSA-N 1 0 378.582 3.869 40 0 GHABRO Cc1cc(Nc2cccc(C(=O)NC(C)(C)C[NH+]3CCCCC3)c2)nc(C)n1 ZINC000057776197 570373550 /nfs/dbraw/zinc/37/35/50/570373550.db2.gz KDUKHBJDLOGESC-UHFFFAOYSA-N 1 0 381.524 3.831 40 0 GHABRO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000004576887 570385686 /nfs/dbraw/zinc/38/56/86/570385686.db2.gz LIHIPJDKYVGEQP-UHFFFAOYSA-N 1 0 398.478 3.751 40 0 GHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000039765875 570446195 /nfs/dbraw/zinc/44/61/95/570446195.db2.gz OOGGBABHRWKARW-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000223288968 570456383 /nfs/dbraw/zinc/45/63/83/570456383.db2.gz DRLCVYZRBBNDIO-UXHICEINSA-N 1 0 383.565 3.532 40 0 GHABRO O=C(NCCOc1ccc(F)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224535434 570517155 /nfs/dbraw/zinc/51/71/55/570517155.db2.gz XGWAYNCZQVFMQA-UHFFFAOYSA-N 1 0 390.886 3.886 40 0 GHABRO CCOC(=O)c1cc(NC(=S)NCCC[NH+]2CCC(C)CC2)ccc1Cl ZINC000225437150 570574070 /nfs/dbraw/zinc/57/40/70/570574070.db2.gz JTBNINOWGYAFFG-UHFFFAOYSA-N 1 0 397.972 3.925 40 0 GHABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000038851253 570587537 /nfs/dbraw/zinc/58/75/37/570587537.db2.gz BUSYKZFZXQNJFY-IBGZPJMESA-N 1 0 399.485 3.526 40 0 GHABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CCOCC2)c1 ZINC000225566452 570589061 /nfs/dbraw/zinc/58/90/61/570589061.db2.gz OTTCGZHRLDQGFJ-UHFFFAOYSA-N 1 0 382.504 3.622 40 0 GHABRO COc1ccc2nc(C[N@@H+]3CCC[C@H](n4c5ccccc5oc4=O)C3)ccc2c1 ZINC000012089318 570607340 /nfs/dbraw/zinc/60/73/40/570607340.db2.gz JSMMXHSDFSRFGA-SFHVURJKSA-N 1 0 389.455 3.988 40 0 GHABRO CC(C)[NH+]1CCC(NC(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1 ZINC000012118269 570612492 /nfs/dbraw/zinc/61/24/92/570612492.db2.gz KKPJSMUURWBREL-UHFFFAOYSA-N 1 0 382.533 3.754 40 0 GHABRO Cc1oc2ccc(O)cc2c1C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012201658 570624368 /nfs/dbraw/zinc/62/43/68/570624368.db2.gz OELASLXYRNASDT-UHFFFAOYSA-N 1 0 382.435 3.980 40 0 GHABRO CN(CC[NH+]1CCCCC1)C(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000012325906 570643121 /nfs/dbraw/zinc/64/31/21/570643121.db2.gz LMGPJSRCHCNQRU-UHFFFAOYSA-N 1 0 377.941 3.950 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000012328539 570643763 /nfs/dbraw/zinc/64/37/63/570643763.db2.gz YRXJPZVCSVKEJL-UHFFFAOYSA-N 1 0 391.515 3.981 40 0 GHABRO O=C(Cc1csc(-c2ccccn2)n1)N1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000012360927 570645538 /nfs/dbraw/zinc/64/55/38/570645538.db2.gz MXOQLEQIWCPQOZ-SFHVURJKSA-N 1 0 384.549 3.615 40 0 GHABRO O=C(Cc1csc(-c2ccccn2)n1)N1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000012360926 570645626 /nfs/dbraw/zinc/64/56/26/570645626.db2.gz MXOQLEQIWCPQOZ-GOSISDBHSA-N 1 0 384.549 3.615 40 0 GHABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CCc2ccc(Br)cc2)C1 ZINC000089223575 570747907 /nfs/dbraw/zinc/74/79/07/570747907.db2.gz KVQRGIKKXQIIGT-OAHLLOKOSA-N 1 0 383.330 3.838 40 0 GHABRO c1coc(CN2CN=C3N[C@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)c1 ZINC000013634022 570862136 /nfs/dbraw/zinc/86/21/36/570862136.db2.gz AVFKSGOCVPGUKG-UZLBHIALSA-N 1 0 388.475 3.681 40 0 GHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000257291714 570903606 /nfs/dbraw/zinc/90/36/06/570903606.db2.gz QIHYOIQIBJECQL-YDHSSHFGSA-N 1 0 383.511 3.989 40 0 GHABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](CC1CC(F)(F)C1)CC2 ZINC000585099854 570926236 /nfs/dbraw/zinc/92/62/36/570926236.db2.gz KCMDXLHUJOECPU-IBGZPJMESA-N 1 0 381.467 3.684 40 0 GHABRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC000585103648 570928990 /nfs/dbraw/zinc/92/89/90/570928990.db2.gz FDAQCXRUASOYPV-HSZRJFAPSA-N 1 0 382.479 3.698 40 0 GHABRO O=C1c2cccc3c(N4CC[NH2+]CC4)ccc(c23)C(=O)N1c1ccccc1Cl ZINC000003030997 862129296 /nfs/dbraw/zinc/12/92/96/862129296.db2.gz AZYWBPNOHRELIR-UHFFFAOYSA-N 1 0 391.858 3.703 40 0 GHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCN3CCc4ccccc43)CC2)cc1 ZINC000009062605 856410208 /nfs/dbraw/zinc/41/02/08/856410208.db2.gz UBRJAPZWFUKZGM-UHFFFAOYSA-N 1 0 391.559 3.776 40 0 GHABRO C[C@@H](C[N@@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 ZINC000019456123 856420709 /nfs/dbraw/zinc/42/07/09/856420709.db2.gz HSDBRFIPQLBPBP-XOYOTBSWSA-N 1 0 375.467 3.784 40 0 GHABRO CNc1cc(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@@H+]3C)ccn1 ZINC000019713060 856426815 /nfs/dbraw/zinc/42/68/15/856426815.db2.gz JEEIWKQUSBPPGA-VSKRKVRLSA-N 1 0 392.547 3.824 40 0 GHABRO CCn1cc(C[N@@H+]2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCCN3C(C)=O)cn1 ZINC000019713056 856427004 /nfs/dbraw/zinc/42/70/04/856427004.db2.gz ANKGWWFGBGXDLZ-SMIHKQSGSA-N 1 0 394.563 3.880 40 0 GHABRO CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222908779 222618337 /nfs/dbraw/zinc/61/83/37/222618337.db2.gz WONLZGWCKMMDFA-PMACEKPBSA-N 1 0 377.517 3.896 40 0 GHABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1C(C)C ZINC000223263806 222629113 /nfs/dbraw/zinc/62/91/13/222629113.db2.gz QGIFHVCJTHMERA-VQTJNVASSA-N 1 0 385.581 3.615 40 0 GHABRO CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(-c4ccccc4)on3)C2(C)C)CC1 ZINC000067890260 291130179 /nfs/dbraw/zinc/13/01/79/291130179.db2.gz QTNYTHQNKIUEII-GCJKJVERSA-N 1 0 381.520 3.899 40 0 biogenic,in-vitro GHABRO CC[C@H](C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C)[nH+]1 ZINC000328979161 212090919 /nfs/dbraw/zinc/09/09/19/212090919.db2.gz GDLHQHMEBRVNDF-LBPRGKRZSA-N 1 0 380.414 3.879 40 0 GHABRO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000012143639 221158734 /nfs/dbraw/zinc/15/87/34/221158734.db2.gz SSISOKUXROQOMV-IRLDBZIGSA-N 1 0 396.441 3.568 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000012292294 221176571 /nfs/dbraw/zinc/17/65/71/221176571.db2.gz FIPHRJBUGLNZBM-JOCHJYFZSA-N 1 0 377.484 3.865 40 0 GHABRO CCOCCC[NH2+]Cc1cc2c([nH]c1=O)n(-c1ccccc1)nc2C(C)(C)C ZINC000012186357 221164337 /nfs/dbraw/zinc/16/43/37/221164337.db2.gz ALOWVZYMRWEJPW-UHFFFAOYSA-N 1 0 382.508 3.528 40 0 GHABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291402 221174166 /nfs/dbraw/zinc/17/41/66/221174166.db2.gz ZNVKCMPXMLPQBR-IBGZPJMESA-N 1 0 398.469 3.930 40 0 GHABRO COc1ccc(C[N@@H+](Cc2ccc3nccnc3c2)C[C@@H]2CCCO2)cc1OC ZINC000013994201 221296168 /nfs/dbraw/zinc/29/61/68/221296168.db2.gz RXTQRYCKKPGRCT-IBGZPJMESA-N 1 0 393.487 3.828 40 0 GHABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000015614274 221337609 /nfs/dbraw/zinc/33/76/09/221337609.db2.gz YGBNGHFSJCJQTN-UHFFFAOYSA-N 1 0 391.515 3.729 40 0 GHABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N(C)Cc2ccccc2)no1 ZINC000015673339 221338824 /nfs/dbraw/zinc/33/88/24/221338824.db2.gz FPJNSTVBOWJFAB-PMACEKPBSA-N 1 0 383.536 3.834 40 0 biogenic,in-vitro GHABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019133446 221398993 /nfs/dbraw/zinc/39/89/93/221398993.db2.gz KDTBQLBSQPOOSK-AWEZNQCLSA-N 1 0 387.434 3.759 40 0 GHABRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)n1cnc2ccccc2c1=O ZINC000019080637 221396996 /nfs/dbraw/zinc/39/69/96/221396996.db2.gz OFJLSCOVJYXVER-KRWDZBQOSA-N 1 0 390.487 3.582 40 0 GHABRO COc1cccc(-c2cnc(NCC(C)(C)C[NH+](C)C)nc2-c2nccn2C)c1 ZINC000019085026 221397132 /nfs/dbraw/zinc/39/71/32/221397132.db2.gz BDNGEFRLJRLQQO-UHFFFAOYSA-N 1 0 394.523 3.552 40 0 GHABRO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CC[NH+](C)CC4)cc3)cc12 ZINC000013562987 136201280 /nfs/dbraw/zinc/20/12/80/136201280.db2.gz WUYJJYGRURWWKZ-UHFFFAOYSA-N 1 0 376.504 3.509 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)cc1 ZINC000072341415 222231196 /nfs/dbraw/zinc/23/11/96/222231196.db2.gz DWROQQOWBDCFDS-HKUYNNGSSA-N 1 0 387.549 3.877 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072348754 222234330 /nfs/dbraw/zinc/23/43/30/222234330.db2.gz RNJVUGOMMWTFGW-LJQANCHMSA-N 1 0 381.520 3.805 40 0 GHABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2cccc(Nc3ncccc3C)n2)C1 ZINC000072376039 222243517 /nfs/dbraw/zinc/24/35/17/222243517.db2.gz FYESRCLSOIYCKR-GOSISDBHSA-N 1 0 376.508 3.950 40 0 GHABRO Cc1n[nH]c(C)c1CCC(=O)NCC1CCC([C@@H](c2ccccn2)[NH+](C)C)CC1 ZINC000072391152 222249794 /nfs/dbraw/zinc/24/97/94/222249794.db2.gz PTQXODXMZMPCMH-XWEVFREBSA-N 1 0 397.567 3.580 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398551 222253300 /nfs/dbraw/zinc/25/33/00/222253300.db2.gz AOBDGEUISKTNJI-KNQAVFIVSA-N 1 0 379.504 3.570 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CC1 ZINC000072398560 222253470 /nfs/dbraw/zinc/25/34/70/222253470.db2.gz UFDXKTKGIQUDIZ-UTKZUKDTSA-N 1 0 385.458 3.839 40 0 GHABRO O=C(CCc1cccnc1)N1CC[C@]2(CC[N@H+](CCCc3ccccc3)C2)C1 ZINC000096071128 222376379 /nfs/dbraw/zinc/37/63/79/222376379.db2.gz CJQHCLOWDUDTDV-DEOSSOPVSA-N 1 0 377.532 3.571 40 0 GHABRO Cn1c(C(=O)N2CCC([NH+](C)C)CC2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146492 222390130 /nfs/dbraw/zinc/39/01/30/222390130.db2.gz BSKGRDDUHRYSPY-UHFFFAOYSA-N 1 0 378.520 3.709 40 0 GHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4cccc(C)c4)C3)C2)o1 ZINC000096215912 222398036 /nfs/dbraw/zinc/39/80/36/222398036.db2.gz IOPCYLVNCWBWOL-OAQYLSRUSA-N 1 0 388.533 3.573 40 0 GHABRO C[C@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022075812 534089230 /nfs/dbraw/zinc/08/92/30/534089230.db2.gz SYPSYSMYCFFQQI-AWEZNQCLSA-N 1 0 383.319 3.632 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)n1 ZINC000329019929 570213041 /nfs/dbraw/zinc/21/30/41/570213041.db2.gz NZUHGTUGFGHATA-UHFFFAOYSA-N 1 0 380.323 3.612 40 0 GHABRO COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC000019766514 570217572 /nfs/dbraw/zinc/21/75/72/570217572.db2.gz BVQYLCOSIRGZKM-NRFANRHFSA-N 1 0 394.519 3.661 40 0 GHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000020048532 570237717 /nfs/dbraw/zinc/23/77/17/570237717.db2.gz CGLLZIKQJNYVCM-OAQYLSRUSA-N 1 0 391.559 3.877 40 0 GHABRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)c(C)c1 ZINC000585283085 570251465 /nfs/dbraw/zinc/25/14/65/570251465.db2.gz BMWLZFDHYBEACP-LJQANCHMSA-N 1 0 380.488 3.704 40 0 GHABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3ccc(Cl)cc3)cc12 ZINC000585284987 570254302 /nfs/dbraw/zinc/25/43/02/570254302.db2.gz MVJVYXAHJAZMMD-KRWDZBQOSA-N 1 0 386.879 3.740 40 0 GHABRO CCOC(=O)c1sc(N2CC[NH2+]CC2)nc1-c1cc(Cl)cc(Cl)c1 ZINC000021986855 570301135 /nfs/dbraw/zinc/30/11/35/570301135.db2.gz JOGYMROMYLUNJV-UHFFFAOYSA-N 1 0 386.304 3.703 40 0 GHABRO CN(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000022075578 570305401 /nfs/dbraw/zinc/30/54/01/570305401.db2.gz SEOBDSBSOPKXRM-UHFFFAOYSA-N 1 0 381.289 3.818 40 0 GHABRO [NH3+][C@H](C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000685938863 570397818 /nfs/dbraw/zinc/39/78/18/570397818.db2.gz DOGITAQWGMFSER-HPBDAGMYSA-N 1 0 384.442 3.744 40 0 GHABRO Cc1cccc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1C ZINC000223960461 570491912 /nfs/dbraw/zinc/49/19/12/570491912.db2.gz ASMHAXXXXFZOQR-HXUWFJFHSA-N 1 0 384.495 3.850 40 0 GHABRO O=C(Cc1cccc(Br)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224520392 570516396 /nfs/dbraw/zinc/51/63/96/570516396.db2.gz MWXLAWMOFBCOKF-UHFFFAOYSA-N 1 0 387.321 3.904 40 0 GHABRO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225007280 570543112 /nfs/dbraw/zinc/54/31/12/570543112.db2.gz NYLNGMSWPUGYLR-UHFFFAOYSA-N 1 0 397.494 3.513 40 0 GHABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@@H]1c1ccccc1OC)CCCC3 ZINC000035079580 570549262 /nfs/dbraw/zinc/54/92/62/570549262.db2.gz RYUHYOLRLQUVHQ-LJQANCHMSA-N 1 0 393.487 3.946 40 0 GHABRO O=C([C@@H]1CCCO1)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000601032723 570579196 /nfs/dbraw/zinc/57/91/96/570579196.db2.gz OHJNHKUFSKAANI-QHCPKHFHSA-N 1 0 378.516 3.906 40 0 in-vitro GHABRO Cc1nc2cc(C(F)(F)F)ccc2n1C1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000001380368 570583650 /nfs/dbraw/zinc/58/36/50/570583650.db2.gz VXFBHQXGLMHZGX-UHFFFAOYSA-N 1 0 396.457 3.915 40 0 GHABRO CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1=C[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000002024819 570586982 /nfs/dbraw/zinc/58/69/82/570586982.db2.gz LZYMPGNBBKVSQZ-DLBZAZTESA-N 1 0 388.508 3.705 40 0 GHABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Br)cc2F)C1 ZINC000225736932 570611140 /nfs/dbraw/zinc/61/11/40/570611140.db2.gz XTDOFVAPHSREEF-GFCCVEGCSA-N 1 0 388.350 3.997 40 0 GHABRO Cc1cccc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)n1 ZINC000257213222 570761749 /nfs/dbraw/zinc/76/17/49/570761749.db2.gz CGQZSNDCMSCFBJ-PHQLXWQESA-N 1 0 375.516 3.746 40 0 GHABRO c1ccc2c(CN3CCO[C@@H](c4cccc(-c5cncnc5)n4)C3)ccnc2c1 ZINC000257254518 570770456 /nfs/dbraw/zinc/77/04/56/570770456.db2.gz KDLRJMYUPWVDSH-HSZRJFAPSA-N 1 0 383.455 3.660 40 0 GHABRO CCn1cc(C[N@H+](C)[C@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)cn1 ZINC000257280321 570774985 /nfs/dbraw/zinc/77/49/85/570774985.db2.gz OKKDYGVPXUSSKI-LKTXNROYSA-N 1 0 397.563 3.970 40 0 GHABRO O=C1CO[C@]2(CN1Cc1ccccc1)CCC[N@@H+](CCc1ccc(F)cc1)CC2 ZINC000257294190 570776825 /nfs/dbraw/zinc/77/68/25/570776825.db2.gz QSZXGFDSZMQCGN-XMMPIXPASA-N 1 0 396.506 3.652 40 0 GHABRO Cc1ccc(C(=O)N2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)c(=O)[nH]1 ZINC000257306892 570779015 /nfs/dbraw/zinc/77/90/15/570779015.db2.gz SWLPBDFMMUAEAZ-IZIIKQMZSA-N 1 0 393.531 3.844 40 0 GHABRO Cc1ncsc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)ccn1 ZINC000257323875 570781324 /nfs/dbraw/zinc/78/13/24/570781324.db2.gz WMEZEBXKVDZSNB-UYZIEWPDSA-N 1 0 396.560 3.991 40 0 GHABRO Cc1cc(N2C(=O)OC[C@@H]2Cc2ccccc2)nc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257343705 570785061 /nfs/dbraw/zinc/78/50/61/570785061.db2.gz ZUCNSAUPJZXPPL-FQEVSTJZSA-N 1 0 394.519 3.941 40 0 GHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000010544114 570792083 /nfs/dbraw/zinc/79/20/83/570792083.db2.gz HOLGDQLYFNAQHI-ZIAGYGMSSA-N 1 0 393.380 3.781 40 0 GHABRO COc1cccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccs3)CC2)c1 ZINC000072340481 570880580 /nfs/dbraw/zinc/88/05/80/570880580.db2.gz SGIRCWQEPNUCDU-NRFANRHFSA-N 1 0 395.528 3.556 40 0 GHABRO C[C@H](O)C(=O)O[C@](CC[NH+]1CCCCC1)(c1ccccc1)[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000299754618 570891833 /nfs/dbraw/zinc/89/18/33/570891833.db2.gz ATZOURLUNRGDHW-MJRVOHGCSA-N 1 0 383.532 3.894 40 0 GHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[C@H](OC)CC1)Cc1ccccc1O2 ZINC000257242845 570893664 /nfs/dbraw/zinc/89/36/64/570893664.db2.gz IELHDGMPGXWFQS-SLWLFXMRSA-N 1 0 386.536 3.514 40 0 GHABRO COc1ccc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000257316777 570906899 /nfs/dbraw/zinc/90/68/99/570906899.db2.gz VGYUHDNCHVUIEE-DNVFCKCGSA-N 1 0 381.520 3.645 40 0 GHABRO CCOc1ccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 ZINC000017077209 570916382 /nfs/dbraw/zinc/91/63/82/570916382.db2.gz JTJMTDKFSQCAQC-UHFFFAOYSA-N 1 0 377.448 3.527 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 ZINC000306123513 570935895 /nfs/dbraw/zinc/93/58/95/570935895.db2.gz APDWXVPDKRSAJI-DHIUTWEWSA-N 1 0 387.483 3.578 40 0 GHABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]32)o1 ZINC000585109666 570938294 /nfs/dbraw/zinc/93/82/94/570938294.db2.gz HZQPSOIUNYUQKM-ABSDTBQOSA-N 1 0 379.485 3.745 40 0 GHABRO Cc1cccc(CN2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306139152 570943794 /nfs/dbraw/zinc/94/37/94/570943794.db2.gz SQOSNPRMTWUMNQ-QFIPXVFZSA-N 1 0 385.471 3.673 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 ZINC000306139702 570944198 /nfs/dbraw/zinc/94/41/98/570944198.db2.gz TXYROJXOXSRKAE-SFTDATJTSA-N 1 0 393.512 3.640 40 0 GHABRO COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)CCC2 ZINC000019215982 570961778 /nfs/dbraw/zinc/96/17/78/570961778.db2.gz HTDDOKOZWNIBQG-LEEZEASISA-N 1 0 378.516 3.617 40 0 GHABRO COc1ccc(C[NH2+][C@@H]2CCCN(C(C)=O)[C@H]2c2ccc(C)s2)c(OC)c1 ZINC000019217334 570962342 /nfs/dbraw/zinc/96/23/42/570962342.db2.gz BEONTIZWBRNUAB-WIYYLYMNSA-N 1 0 388.533 3.916 40 0 GHABRO O=C1NCC[N@@H+](Cc2ccc(F)cc2)C[C@H]1Cc1cccc(-c2cccnc2)c1 ZINC000019331506 570975010 /nfs/dbraw/zinc/97/50/10/570975010.db2.gz CJAXNIZYYZIDQH-JOCHJYFZSA-N 1 0 389.474 3.678 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccs1 ZINC000019400750 570982875 /nfs/dbraw/zinc/98/28/75/570982875.db2.gz BMSUIFSKDWZQQA-GHTZIAJQSA-N 1 0 392.528 3.921 40 0 GHABRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019447924 570984212 /nfs/dbraw/zinc/98/42/12/570984212.db2.gz ANHMRFJZEUJOLT-QGZVFWFLSA-N 1 0 389.503 3.542 40 0 GHABRO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](CC[C@H](C)c2ccccc2)C3)CC1 ZINC000019455726 570987138 /nfs/dbraw/zinc/98/71/38/570987138.db2.gz AIHULRSYFJVMNQ-SFHVURJKSA-N 1 0 392.547 3.754 40 0 GHABRO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@@H+]([C@@H](C)Cc3ccccc3F)C1)CC2 ZINC000019456889 570987495 /nfs/dbraw/zinc/98/74/95/570987495.db2.gz OVBSVHJFZZWAJS-QMHKHESXSA-N 1 0 382.479 3.586 40 0 GHABRO COc1ccc(Nc2ncccc2C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000019496562 570989348 /nfs/dbraw/zinc/98/93/48/570989348.db2.gz MKKZKFCMBPPWDV-QGZVFWFLSA-N 1 0 382.508 3.686 40 0 GHABRO CCOc1ccccc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000019520139 570994186 /nfs/dbraw/zinc/99/41/86/570994186.db2.gz FPQQTVQWLWFJME-KCZVDYSFSA-N 1 0 382.479 3.927 40 0 GHABRO COCC(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000585169189 570995611 /nfs/dbraw/zinc/99/56/11/570995611.db2.gz VIWLEXJZBOYJMQ-JOCHJYFZSA-N 1 0 378.516 3.541 40 0 GHABRO CCCn1c(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)nc2ccccc21 ZINC000019526004 570997215 /nfs/dbraw/zinc/99/72/15/570997215.db2.gz FGOCNLILXJCZIE-IXFSTUDKSA-N 1 0 376.504 3.571 40 0 GHABRO CCOCc1cc(C[NH+]2CCC(c3cc4nccnc4[nH]3)CC2)ccc1OC ZINC000019531123 570998701 /nfs/dbraw/zinc/99/87/01/570998701.db2.gz YMKYHVAWDHACIH-UHFFFAOYSA-N 1 0 380.492 3.883 40 0 GHABRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019565221 571007589 /nfs/dbraw/zinc/00/75/89/571007589.db2.gz KDBHYXYYMMXAKC-HXUWFJFHSA-N 1 0 376.460 3.980 40 0 GHABRO Cc1c2ccccc2oc1C(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019566195 571007958 /nfs/dbraw/zinc/00/79/58/571007958.db2.gz GEJUCXDSRJCMPT-GOSISDBHSA-N 1 0 376.460 3.544 40 0 GHABRO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)c1F ZINC000019567145 571008688 /nfs/dbraw/zinc/00/86/88/571008688.db2.gz JKUQBPXWXXYODE-LIMIJEPZSA-N 1 0 395.478 3.742 40 0 GHABRO COc1ccccc1NC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019571318 571010190 /nfs/dbraw/zinc/01/01/90/571010190.db2.gz IBIDAMQRYSOYRM-INIZCTEOSA-N 1 0 392.459 3.710 40 0 GHABRO COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)cn1 ZINC000019589106 571016360 /nfs/dbraw/zinc/01/63/60/571016360.db2.gz UGIGORGTWHEWND-VWPQPMDRSA-N 1 0 379.504 3.573 40 0 GHABRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC(CC[NH+](C)C)CC3)c2)n1 ZINC000019666562 571027883 /nfs/dbraw/zinc/02/78/83/571027883.db2.gz APELGCOGFIDLRT-UHFFFAOYSA-N 1 0 388.943 3.946 40 0 GHABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@H+](CC(C)(C)C)C2)n1 ZINC000019694516 571030089 /nfs/dbraw/zinc/03/00/89/571030089.db2.gz YAPQGBHBGXPMKT-SFHVURJKSA-N 1 0 395.551 3.534 40 0 GHABRO COc1cc(CC[NH+]2CCN(c3ccc(C)c(F)c3)CC2)cc(OC)c1OC ZINC000002572957 861361132 /nfs/dbraw/zinc/36/11/32/861361132.db2.gz BZTQYPMXNNFFKT-UHFFFAOYSA-N 1 0 388.483 3.525 40 0 GHABRO COc1ccc(C[C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccnc(C)n2)cc1 ZINC000019287534 856421438 /nfs/dbraw/zinc/42/14/38/856421438.db2.gz RCPXHLIOHZPTAJ-DNVJHFABSA-N 1 0 381.520 3.532 40 0 GHABRO CC(C)c1ccc(C[NH+]2CCC([C@@]3(c4nccs4)CNC(=O)CO3)CC2)cc1 ZINC000019696659 856423449 /nfs/dbraw/zinc/42/34/49/856423449.db2.gz FLILDELLNXZZAN-JOCHJYFZSA-N 1 0 399.560 3.520 40 0 GHABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](Cc2ccccc2)C1 ZINC000019703539 856424791 /nfs/dbraw/zinc/42/47/91/856424791.db2.gz DFUNVVZMWCSCAW-HSZRJFAPSA-N 1 0 375.472 3.522 40 0 GHABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242701917 863021803 /nfs/dbraw/zinc/02/18/03/863021803.db2.gz WSBPFZSUIWBSBP-XUVXKRRUSA-N 1 0 393.936 3.570 40 0 GHABRO O=C(C1CC1)N1CCCc2cc([C@H](O)C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)ccc21 ZINC000247757061 880060773 /nfs/dbraw/zinc/06/07/73/880060773.db2.gz FCLGTCLZAQCHJG-JWNTYJGQSA-N 1 0 382.548 3.921 40 0 GHABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000035075054 212111271 /nfs/dbraw/zinc/11/12/71/212111271.db2.gz JQRIJBVNFRDMPG-FMRHZRETSA-N 1 0 386.580 3.791 40 0 GHABRO C[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000226259303 212115384 /nfs/dbraw/zinc/11/53/84/212115384.db2.gz CYKJQGXCNVROQH-UHFFFAOYSA-N 1 0 379.291 3.580 40 0 GHABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023633529 212106264 /nfs/dbraw/zinc/10/62/64/212106264.db2.gz SSYBLIKKSQBNIM-GHTZIAJQSA-N 1 0 386.511 3.901 40 0 GHABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000008253318 221032764 /nfs/dbraw/zinc/03/27/64/221032764.db2.gz JFPLYDKYYMCKGC-LBPRGKRZSA-N 1 0 393.119 3.879 40 0 GHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330214 221182145 /nfs/dbraw/zinc/18/21/45/221182145.db2.gz XEBGHOWCYQJQCG-PKTZIBPZSA-N 1 0 393.527 3.868 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCC2 ZINC000012330147 221182383 /nfs/dbraw/zinc/18/23/83/221182383.db2.gz PLUDDOXJYPWKRH-VXKWHMMOSA-N 1 0 379.500 3.559 40 0 GHABRO Cc1cc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc(C)c1O ZINC000012759944 221226731 /nfs/dbraw/zinc/22/67/31/221226731.db2.gz UPISSGSHWSJJOI-UHFFFAOYSA-N 1 0 390.487 3.946 40 0 GHABRO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@@H+](C2CCCCC2)C1 ZINC000015675096 221338702 /nfs/dbraw/zinc/33/87/02/221338702.db2.gz BDINYLORAOGYAS-WBVHZDCISA-N 1 0 379.863 3.893 40 0 biogenic,in-vitro GHABRO COc1ccc([C@H]2C[N@H+](Cc3cccc(F)c3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017760 221393652 /nfs/dbraw/zinc/39/36/52/221393652.db2.gz GDOZUXQCIYWITP-DNVJHFABSA-N 1 0 382.479 3.813 40 0 GHABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@H+](Cc4cccc(OC)c4)[C@@H]32)cc1 ZINC000019019364 221395003 /nfs/dbraw/zinc/39/50/03/221395003.db2.gz ODICQHDGNMUPNW-WXFUMESZSA-N 1 0 394.515 3.683 40 0 GHABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872959 221954887 /nfs/dbraw/zinc/95/48/87/221954887.db2.gz KHCRXALIWXRZMN-JOCHJYFZSA-N 1 0 382.504 3.765 40 0 GHABRO COc1ccc(CC[N@@H+]2CCCC[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]32)cc1 ZINC000072330658 222228700 /nfs/dbraw/zinc/22/87/00/222228700.db2.gz WHRKBPNTEMOLCX-LADGPHEKSA-N 1 0 392.543 3.793 40 0 GHABRO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C)[C@@H]3C)C[C@H]2c2csnn2)cc1 ZINC000072341403 222231175 /nfs/dbraw/zinc/23/11/75/222231175.db2.gz OKXDKRMWHYEUNX-LCLWPZTBSA-N 1 0 398.576 3.677 40 0 GHABRO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)N4CCCCC4)C3)n2)cc1 ZINC000072348701 222234834 /nfs/dbraw/zinc/23/48/34/222234834.db2.gz NFWQMRVFRUQKND-HXUWFJFHSA-N 1 0 393.531 3.949 40 0 GHABRO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072353961 222238492 /nfs/dbraw/zinc/23/84/92/222238492.db2.gz GTIUHXZTNKHJRL-NRFANRHFSA-N 1 0 395.522 3.922 40 0 GHABRO Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@H]2CCCC[NH2+]2)C1 ZINC000072374075 222242305 /nfs/dbraw/zinc/24/23/05/222242305.db2.gz MQAZUFCZZHJSOT-OAQYLSRUSA-N 1 0 391.494 3.915 40 0 GHABRO Cc1c(C[NH+]2CCC(c3ccc(Nc4cccc(C)n4)cn3)CC2)cnn1C ZINC000072374234 222243482 /nfs/dbraw/zinc/24/34/82/222243482.db2.gz VNZUAKAHDBVCRM-UHFFFAOYSA-N 1 0 376.508 3.950 40 0 GHABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)ncn1 ZINC000072377416 222244496 /nfs/dbraw/zinc/24/44/96/222244496.db2.gz UJHNGTNUTSNWLI-MRXNPFEDSA-N 1 0 393.470 3.571 40 0 GHABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](CC[C@@H](C)c1ccccc1)C2 ZINC000072390851 222247544 /nfs/dbraw/zinc/24/75/44/222247544.db2.gz RZJOEOAPSTZYRM-VGSWGCGISA-N 1 0 378.520 3.712 40 0 GHABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](CC[C@H](C)c4ccccc4)C3)ncc2C1 ZINC000072397272 222254125 /nfs/dbraw/zinc/25/41/25/222254125.db2.gz YPRZMOMGEDIHOP-RXVVDRJESA-N 1 0 392.547 3.754 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc2O3)o1 ZINC000096053154 222374998 /nfs/dbraw/zinc/37/49/98/222374998.db2.gz ZAMBCTNNYUNRQH-GOSISDBHSA-N 1 0 382.504 3.967 40 0 GHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[NH+](CCCc3ccccc3)C[C@H]2C1 ZINC000096080947 222377481 /nfs/dbraw/zinc/37/74/81/222377481.db2.gz JTHNRDBHUACLLY-SFTDATJTSA-N 1 0 382.935 3.906 40 0 GHABRO Fc1ccc(-c2cnc3n2CCNC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096145056 222387943 /nfs/dbraw/zinc/38/79/43/222387943.db2.gz VHUMFFVGRYDLQH-UHFFFAOYSA-N 1 0 376.479 3.784 40 0 GHABRO CCCc1ccc2[nH]c(=O)c(CNc3ccc(N4CC[NH+](C)CC4)cc3)cc2c1 ZINC000013562998 535427163 /nfs/dbraw/zinc/42/71/63/535427163.db2.gz KHZJMJRCRCVRFA-UHFFFAOYSA-N 1 0 390.531 3.845 40 0 GHABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000035424864 560080397 /nfs/dbraw/zinc/08/03/97/560080397.db2.gz WBUSDXBLIWGTOR-SFHVURJKSA-N 1 0 385.512 3.907 40 0 biogenic,in-vitro GHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(COc4ccc(F)cc4)o3)C2)cc1 ZINC000049170367 560084428 /nfs/dbraw/zinc/08/44/28/560084428.db2.gz GQCQTKATUMFSSC-INIZCTEOSA-N 1 0 383.423 3.786 40 0 biogenic,in-vitro GHABRO Cc1cc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)ccc1Cl ZINC000329043629 570214840 /nfs/dbraw/zinc/21/48/40/570214840.db2.gz SSVJIKDUUQWAIJ-UHFFFAOYSA-N 1 0 382.899 3.639 40 0 GHABRO C[NH+](C)CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)n1 ZINC000329068319 570216351 /nfs/dbraw/zinc/21/63/51/570216351.db2.gz YPHLORUWGLAFMD-UHFFFAOYSA-N 1 0 399.848 3.587 40 0 GHABRO Clc1ccc2ncc(-c3cccc(C[C@H]4OCCC45CC[NH2+]CC5)n3)n2c1 ZINC000585263025 570230824 /nfs/dbraw/zinc/23/08/24/570230824.db2.gz HUXUMWHAUDJYAH-LJQANCHMSA-N 1 0 382.895 3.751 40 0 GHABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000585270145 570238778 /nfs/dbraw/zinc/23/87/78/570238778.db2.gz GXLSLUXGNVRIAQ-NRFANRHFSA-N 1 0 385.895 3.931 40 0 GHABRO CCOCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585271731 570241937 /nfs/dbraw/zinc/24/19/37/570241937.db2.gz GYXDCZJJNAEHSJ-HSZRJFAPSA-N 1 0 385.504 3.508 40 0 GHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3cccc(C)c3C)cc2c1 ZINC000585283775 570251737 /nfs/dbraw/zinc/25/17/37/570251737.db2.gz HMKVVZAXEXNBHE-HXUWFJFHSA-N 1 0 380.488 3.704 40 0 GHABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)COc3ccc(C)c(C)c3)cc2c1 ZINC000585283795 570251933 /nfs/dbraw/zinc/25/19/33/570251933.db2.gz HREGKUAZIQNRKM-HXUWFJFHSA-N 1 0 380.488 3.704 40 0 GHABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1OC ZINC000585288961 570256684 /nfs/dbraw/zinc/25/66/84/570256684.db2.gz CDLLWLNASMWJQQ-FBBABVLZSA-N 1 0 391.895 3.808 40 0 GHABRO O=C1C[C@@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000022079883 570305736 /nfs/dbraw/zinc/30/57/36/570305736.db2.gz RSHZWDMMMKXUTH-MRXNPFEDSA-N 1 0 396.796 3.823 40 0 GHABRO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1c[nH]c2ccccc12 ZINC000604404030 570361066 /nfs/dbraw/zinc/36/10/66/570361066.db2.gz IMPWXFOYKZILDH-NZQKXSOJSA-N 1 0 397.563 3.840 40 0 GHABRO CC[NH+](CC)C[C@H](OC)[C@H](COC)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004792377 570406016 /nfs/dbraw/zinc/40/60/16/570406016.db2.gz LZLUKZHCUAXOJV-VXKWHMMOSA-N 1 0 399.531 3.734 40 0 GHABRO CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222908945 570431008 /nfs/dbraw/zinc/43/10/08/570431008.db2.gz WONLZGWCKMMDFA-WOJBJXKFSA-N 1 0 377.517 3.896 40 0 GHABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1C1CC1 ZINC000223216886 570450610 /nfs/dbraw/zinc/45/06/10/570450610.db2.gz YXRSYWQDIPPBOI-SFTDATJTSA-N 1 0 397.592 3.759 40 0 GHABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1C(=O)c1ccccc1 ZINC000005681730 570451378 /nfs/dbraw/zinc/45/13/78/570451378.db2.gz NRVVTWYCFPNSTQ-DENIHFKCSA-N 1 0 376.500 3.912 40 0 GHABRO CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)cc1 ZINC000028296062 570457701 /nfs/dbraw/zinc/45/77/01/570457701.db2.gz DWWLVZSEIPDJRP-FQEVSTJZSA-N 1 0 379.460 3.773 40 0 GHABRO O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224516596 570516029 /nfs/dbraw/zinc/51/60/29/570516029.db2.gz LWYXITKXLNOJII-UHFFFAOYSA-N 1 0 378.516 3.856 40 0 GHABRO O=C(COc1cccc2c1CCCC2)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224637430 570521880 /nfs/dbraw/zinc/52/18/80/570521880.db2.gz SJCYDEOFNREWBQ-UHFFFAOYSA-N 1 0 378.516 3.856 40 0 GHABRO O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225014601 570543661 /nfs/dbraw/zinc/54/36/61/570543661.db2.gz DNSUPGMXONJXDU-IBGZPJMESA-N 1 0 397.494 3.513 40 0 GHABRO CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038854369 570588527 /nfs/dbraw/zinc/58/85/27/570588527.db2.gz DUWGANSQZOLMHU-SFHVURJKSA-N 1 0 397.494 3.815 40 0 GHABRO O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038858730 570588599 /nfs/dbraw/zinc/58/85/99/570588599.db2.gz GKRFVQVFQQJLSF-KRWDZBQOSA-N 1 0 386.879 3.597 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 ZINC000225583014 570590696 /nfs/dbraw/zinc/59/06/96/570590696.db2.gz UEXXMWFJKXTAJQ-SFHVURJKSA-N 1 0 388.581 3.754 40 0 GHABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 ZINC000225739196 570611723 /nfs/dbraw/zinc/61/17/23/570611723.db2.gz YYTKRUIABKYXNJ-QFIPXVFZSA-N 1 0 392.540 3.712 40 0 GHABRO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872207 570637643 /nfs/dbraw/zinc/63/76/43/570637643.db2.gz DKFOCUYQOBXVNU-QFIPXVFZSA-N 1 0 382.504 3.765 40 0 GHABRO Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)CC[NH+]2CCCCC2)s1 ZINC000012360912 570645613 /nfs/dbraw/zinc/64/56/13/570645613.db2.gz RZXSWQNBVBDOJH-UHFFFAOYSA-N 1 0 375.513 3.744 40 0 GHABRO Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCC[NH+](C)C)CCOCC3)cc2)c1 ZINC000257256553 570771000 /nfs/dbraw/zinc/77/10/00/570771000.db2.gz KLYNROFHYXEQPA-UHFFFAOYSA-N 1 0 394.559 3.988 40 0 GHABRO Cc1ncc(CN2CCO[C@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)s1 ZINC000257329618 570782381 /nfs/dbraw/zinc/78/23/81/570782381.db2.gz XKTFZZZXOKOMBH-SFHVURJKSA-N 1 0 385.468 3.698 40 0 GHABRO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)ncn1 ZINC000257333150 570782961 /nfs/dbraw/zinc/78/29/61/570782961.db2.gz YAJBLLWMPJJCDG-KRWDZBQOSA-N 1 0 380.496 3.590 40 0 GHABRO CO[C@H]1CC[C@H](C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)CC1 ZINC000257329455 570908927 /nfs/dbraw/zinc/90/89/27/570908927.db2.gz XKBNARBFDIVIGB-SLWLFXMRSA-N 1 0 386.536 3.514 40 0 GHABRO Cc1nc(C)c(C[N@@H+]2C[C@@H](C(=O)NCCC(C)(C)C)C3(C2)CCOCC3)s1 ZINC000585101810 570927455 /nfs/dbraw/zinc/92/74/55/570927455.db2.gz AVPOCRIWEQZYME-KRWDZBQOSA-N 1 0 393.597 3.541 40 0 GHABRO O=C(CCc1ccc(Cl)cc1)N1CCC[C@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585101803 570927466 /nfs/dbraw/zinc/92/74/66/570927466.db2.gz HKSXFUCULRDLJV-FPOVZHCZSA-N 1 0 376.928 3.519 40 0 GHABRO CN1CC2(CC[NH+](Cc3cccc(F)c3)CC2)c2nc(C(C)(C)C)ncc2C1=O ZINC000306124860 570936466 /nfs/dbraw/zinc/93/64/66/570936466.db2.gz CAYGCIMLXLBXTL-UHFFFAOYSA-N 1 0 396.510 3.533 40 0 GHABRO Fc1ccc(C[NH+]2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)cc1 ZINC000306130279 570939257 /nfs/dbraw/zinc/93/92/57/570939257.db2.gz JAZYVXHMECTDHI-UHFFFAOYSA-N 1 0 388.450 3.865 40 0 GHABRO Cn1cc(C[NH+]2CCC3(CC2)Oc2ccccc2-c2ncn(CC4CC4)c23)cn1 ZINC000306133597 570940780 /nfs/dbraw/zinc/94/07/80/570940780.db2.gz MQJWHQWOYCXRPZ-UHFFFAOYSA-N 1 0 389.503 3.577 40 0 GHABRO CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020140904 570942016 /nfs/dbraw/zinc/94/20/16/570942016.db2.gz GLZNTKRMYFXVCL-QFIPXVFZSA-N 1 0 396.583 3.903 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 ZINC000306137612 570943345 /nfs/dbraw/zinc/94/33/45/570943345.db2.gz RBJPBJMLFJDUNP-HSZRJFAPSA-N 1 0 393.462 3.873 40 0 GHABRO c1csc(-c2cnc3n2CC[C@@]32CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)c1 ZINC000306140115 570944379 /nfs/dbraw/zinc/94/43/79/570944379.db2.gz UKKVCSBXYMLJBM-OAQYLSRUSA-N 1 0 379.485 3.888 40 0 GHABRO COc1ccc(CN2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000306141144 570945095 /nfs/dbraw/zinc/94/50/95/570945095.db2.gz VMJFFSCTFHAJRL-UHFFFAOYSA-N 1 0 382.552 3.760 40 0 GHABRO CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](c1ccnc3ccccc31)[NH2+]2 ZINC000306145422 570947073 /nfs/dbraw/zinc/94/70/73/570947073.db2.gz DZPNVVOQKSONNP-LJQANCHMSA-N 1 0 383.492 3.665 40 0 GHABRO NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019333526 570975499 /nfs/dbraw/zinc/97/54/99/570975499.db2.gz NNDLQSRRMIZMOX-QFIPXVFZSA-N 1 0 377.513 3.730 40 0 GHABRO CC(C)c1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)[nH]n1 ZINC000019451927 570985515 /nfs/dbraw/zinc/98/55/15/570985515.db2.gz ZSKNTHNWJHWTLC-WMQCIHAUSA-N 1 0 384.499 3.813 40 0 GHABRO C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C)n1ccnc1 ZINC000019455390 570987345 /nfs/dbraw/zinc/98/73/45/570987345.db2.gz HAQIBTIQJBPTHJ-DXKRWKNPSA-N 1 0 380.536 3.703 40 0 GHABRO Cc1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@H+]3C)c(C)n1 ZINC000019552518 571001996 /nfs/dbraw/zinc/00/19/96/571001996.db2.gz BQNLKABRNSVNHX-BDTNDASRSA-N 1 0 378.520 3.576 40 0 GHABRO Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019566164 571007540 /nfs/dbraw/zinc/00/75/40/571007540.db2.gz MQBCIWOIYABFSF-IBGZPJMESA-N 1 0 390.487 3.887 40 0 GHABRO CNc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)ccn1 ZINC000019592077 571019298 /nfs/dbraw/zinc/01/92/98/571019298.db2.gz DMICZNWVMABPQM-KCZVDYSFSA-N 1 0 378.520 3.606 40 0 GHABRO Cc1nn(C)cc1-c1cc(C(=O)NCC2([NH+](C)C)CCCC2)c2ccccc2n1 ZINC000019716415 571038339 /nfs/dbraw/zinc/03/83/39/571038339.db2.gz OKJXQFVZHIXLGM-UHFFFAOYSA-N 1 0 391.519 3.548 40 0 GHABRO CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000006418898 856381013 /nfs/dbraw/zinc/38/10/13/856381013.db2.gz UAIPQOPNTOKFNY-SFHVURJKSA-N 1 0 381.520 3.969 40 0 GHABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2)c1 ZINC000009063034 856409824 /nfs/dbraw/zinc/40/98/24/856409824.db2.gz YCSXVDSCWURMHO-UHFFFAOYSA-N 1 0 393.531 3.984 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccn2)C1)c1cccs1 ZINC000019401619 856421564 /nfs/dbraw/zinc/42/15/64/856421564.db2.gz MQAGNCNAZRSNQH-LAUBAEHRSA-N 1 0 392.528 3.921 40 0 GHABRO Cc1c(C[N@@H+]2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cnn1C ZINC000019704538 856425083 /nfs/dbraw/zinc/42/50/83/856425083.db2.gz AAYHCOKGWOKUIC-HNNXBMFYSA-N 1 0 385.899 3.674 40 0 GHABRO Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044852530 856442470 /nfs/dbraw/zinc/44/24/70/856442470.db2.gz XAJDMVMWLBNLBV-QUCCMNQESA-N 1 0 384.495 3.930 40 0 GHABRO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224614797 222659436 /nfs/dbraw/zinc/65/94/36/222659436.db2.gz FIAPEZAUKYZBGM-JOCHJYFZSA-N 1 0 382.504 3.765 40 0 GHABRO CCn1c2ccc(C)cc2cc(CNc2ccc(N3CC[NH+](C)CC3)cc2)c1=O ZINC000013564234 212117359 /nfs/dbraw/zinc/11/73/59/212117359.db2.gz CQRBNDFTSBPMFC-UHFFFAOYSA-N 1 0 390.531 3.694 40 0 GHABRO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850068 221014591 /nfs/dbraw/zinc/01/45/91/221014591.db2.gz XMSKPTJDTSMTOL-PKNBQFBNSA-N 1 0 378.472 3.731 40 0 GHABRO CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000008635308 221048310 /nfs/dbraw/zinc/04/83/10/221048310.db2.gz YUIKXSYLRGROEM-OTWHNJEPSA-N 1 0 388.556 3.782 40 0 biogenic,in-vitro GHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000010544058 221105100 /nfs/dbraw/zinc/10/51/00/221105100.db2.gz NVIOCQOGJZGUAS-CHWSQXEVSA-N 1 0 379.353 3.640 40 0 GHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc(F)cc1 ZINC000012292725 221175729 /nfs/dbraw/zinc/17/57/29/221175729.db2.gz PCXVPJDVCBCGEO-RBUKOAKNSA-N 1 0 391.870 3.863 40 0 GHABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC000012293047 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Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379225 222244654 /nfs/dbraw/zinc/24/46/54/222244654.db2.gz NAJLGQHFJXGLJQ-GOSISDBHSA-N 1 0 380.467 3.973 40 0 GHABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)Oc2ccccc21 ZINC000096053328 222375499 /nfs/dbraw/zinc/37/54/99/222375499.db2.gz FAARRGCDMSPHDC-FQEVSTJZSA-N 1 0 393.531 3.897 40 0 GHABRO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056045 222376155 /nfs/dbraw/zinc/37/61/55/222376155.db2.gz BLDBCYAZHUVPHF-CVDCTZTESA-N 1 0 397.494 3.502 40 0 GHABRO O=C(CCc1cccnc1)N1CC[C@@]2(CC[N@H+](CCCc3ccccc3)C2)C1 ZINC000096071129 222377040 /nfs/dbraw/zinc/37/70/40/222377040.db2.gz CJQHCLOWDUDTDV-XMMPIXPASA-N 1 0 377.532 3.571 40 0 GHABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3ccn(-c4ccccc4)n3)n3ccccc23)CC1 ZINC000096154761 222391716 /nfs/dbraw/zinc/39/17/16/222391716.db2.gz AZBDYFKFNTUEHO-UHFFFAOYSA-N 1 0 399.498 3.570 40 0 GHABRO CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113970618 535817840 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HMKVVZAXEXNBHE-FQEVSTJZSA-N 1 0 380.488 3.704 40 0 GHABRO C[C@@H](O)C[NH2+]CCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022075505 570321635 /nfs/dbraw/zinc/32/16/35/570321635.db2.gz RALCAOKFVHXMIY-CQSZACIVSA-N 1 0 383.319 3.632 40 0 GHABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)CC1 ZINC000219235400 570350137 /nfs/dbraw/zinc/35/01/37/570350137.db2.gz HZHHEQDUBJHFAC-UHFFFAOYSA-N 1 0 390.487 3.899 40 0 GHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCN(C)c2ccccc2)CC1 ZINC000219406163 570359321 /nfs/dbraw/zinc/35/93/21/570359321.db2.gz NVDGFNSNFOKCQW-UHFFFAOYSA-N 1 0 379.548 3.850 40 0 GHABRO Cc1ccc(C)c(N2CCN([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1 ZINC000057669760 570367132 /nfs/dbraw/zinc/36/71/32/570367132.db2.gz UOHAVMIWPYWKBH-FQEVSTJZSA-N 1 0 384.572 3.954 40 0 GHABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000222715659 570422222 /nfs/dbraw/zinc/42/22/22/570422222.db2.gz AYRIQHRZLRQKQL-GOSISDBHSA-N 1 0 394.515 3.856 40 0 GHABRO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039755377 570448006 /nfs/dbraw/zinc/44/80/06/570448006.db2.gz POHVVYRKSZIUAX-UHFFFAOYSA-N 1 0 395.950 3.683 40 0 GHABRO COc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1C(C)C ZINC000223600717 570473772 /nfs/dbraw/zinc/47/37/72/570473772.db2.gz XJUDUAMBOOREJL-MRXNPFEDSA-N 1 0 382.570 3.527 40 0 GHABRO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224552522 570518161 /nfs/dbraw/zinc/51/81/61/570518161.db2.gz KJSDSSDULZCVLG-UHFFFAOYSA-N 1 0 390.886 3.886 40 0 GHABRO COc1ccc(CSCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224758725 570529580 /nfs/dbraw/zinc/52/95/80/570529580.db2.gz WPPMHBIHUSWZRK-UHFFFAOYSA-N 1 0 384.545 3.841 40 0 GHABRO Fc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)NCc2ccco2)C3)cc1 ZINC000035310754 570551024 /nfs/dbraw/zinc/55/10/24/570551024.db2.gz PKLSEMYZFCZBQM-YQQQUEKLSA-N 1 0 387.524 3.969 40 0 GHABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(Br)cc2F)CC1 ZINC000225436559 570574121 /nfs/dbraw/zinc/57/41/21/570574121.db2.gz ACGDAELAMSJEGM-UHFFFAOYSA-N 1 0 388.350 3.997 40 0 GHABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2c[nH]cc3c(Cl)nnc2-3)o1 ZINC000043277777 570626759 /nfs/dbraw/zinc/62/67/59/570626759.db2.gz XRWBTUGDIOAROJ-UHFFFAOYSA-N 1 0 384.871 3.802 40 0 GHABRO CN(C)c1nc2ccccc2cc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000043286455 570627258 /nfs/dbraw/zinc/62/72/58/570627258.db2.gz VMVYGVAAIJBENU-UHFFFAOYSA-N 1 0 379.479 3.924 40 0 GHABRO O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874807 570637594 /nfs/dbraw/zinc/63/75/94/570637594.db2.gz FPTZAPMWBWACTH-UHFFFAOYSA-N 1 0 392.952 3.946 40 0 GHABRO COc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000005002282 570652373 /nfs/dbraw/zinc/65/23/73/570652373.db2.gz VDBFVDHQVWEILM-CMDGGOBGSA-O 1 0 375.448 3.708 40 0 GHABRO O=C1Nc2nc(-c3c(O)cccc3OCC3CC3)cc([C@@H]3CCC[NH2+]C3)c2CO1 ZINC000003817307 570700808 /nfs/dbraw/zinc/70/08/08/570700808.db2.gz IGJVFGZEWDGDOO-CQSZACIVSA-N 1 0 395.459 3.772 40 0 GHABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4ncc[nH]4)CC3)CO[C@H]21 ZINC000257214550 570762116 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3.572 40 0 GHABRO Cc1ccc(C[NH+]2CCC(n3cnc4ncc(-c5ccc(F)nc5)nc43)CC2)o1 ZINC000306129697 570938379 /nfs/dbraw/zinc/93/83/79/570938379.db2.gz IKJLCSPSVITNAT-UHFFFAOYSA-N 1 0 392.438 3.766 40 0 GHABRO Cc1ccsc1C[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1csc(C)n1 ZINC000306137342 570943108 /nfs/dbraw/zinc/94/31/08/570943108.db2.gz QTQIYUJCZZTEEP-ZWKOTPCHSA-N 1 0 398.557 3.704 40 0 GHABRO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3ccccc3F)C[C@@H]21 ZINC000306138560 570943784 /nfs/dbraw/zinc/94/37/84/570943784.db2.gz SAVKSTMRTRPJMA-RXVVDRJESA-N 1 0 383.444 3.841 40 0 GHABRO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccc(C)c4)C[C@H]32)cs1 ZINC000306140889 570944651 /nfs/dbraw/zinc/94/46/51/570944651.db2.gz VGEVRNGKYZLVRB-NHCUHLMSSA-N 1 0 392.528 3.643 40 0 GHABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 ZINC000306143275 570946307 /nfs/dbraw/zinc/94/63/07/570946307.db2.gz XXQHZCPSAYJRKX-FQEVSTJZSA-N 1 0 384.480 3.629 40 0 GHABRO COc1ccc(C(F)(F)F)cc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 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QAXZWVAWZPLZBQ-QFIPXVFZSA-N 1 0 393.531 3.853 40 0 GHABRO COc1ccccc1C[NH+]1CCC([C@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019570093 571009742 /nfs/dbraw/zinc/00/97/42/571009742.db2.gz TXCFIMYIWUMDIH-QFIPXVFZSA-N 1 0 379.504 3.570 40 0 GHABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)CCC3CCCCC3)C2)c2cccnc21 ZINC000019583163 571014177 /nfs/dbraw/zinc/01/41/77/571014177.db2.gz IOGXASTWGSUACY-LJQANCHMSA-N 1 0 397.567 3.669 40 0 GHABRO COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)cn1 ZINC000019589168 571016695 /nfs/dbraw/zinc/01/66/95/571016695.db2.gz YXMSKODFKYKKAQ-KCZVDYSFSA-N 1 0 379.504 3.573 40 0 GHABRO COc1cc2c(cc1CN1CCCC[C@H]1c1ncc3c(n1)CC[N@@H+](C)C3)CCC2 ZINC000019590323 571017296 /nfs/dbraw/zinc/01/72/96/571017296.db2.gz CEMKSSMTNLBHHJ-QFIPXVFZSA-N 1 0 392.547 3.689 40 0 GHABRO Fc1cccc(-c2ccc(CN3CCC[C@H]3c3nnc4n3CC[NH2+]CC4)cc2)c1 ZINC000019710755 571034638 /nfs/dbraw/zinc/03/46/38/571034638.db2.gz UHUVCMXRFZSHON-NRFANRHFSA-N 1 0 391.494 3.567 40 0 GHABRO CC[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)CCn3nc(C)nc3C)cc2)[C@@H](C)C1 ZINC000012144922 856418648 /nfs/dbraw/zinc/41/86/48/856418648.db2.gz SIBGQKKQPXOVLV-LAUBAEHRSA-N 1 0 397.567 3.834 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1)c1cccs1 ZINC000019401613 856421635 /nfs/dbraw/zinc/42/16/35/856421635.db2.gz MQAGNCNAZRSNQH-DYESRHJHSA-N 1 0 392.528 3.921 40 0 GHABRO CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3scnc3C)CC2)C1 ZINC000019712788 856426891 /nfs/dbraw/zinc/42/68/91/856426891.db2.gz HMCPGSAACKFKBW-OALUTQOASA-N 1 0 399.560 3.956 40 0 GHABRO Cc1nc(C2CC[NH+](CC(C)C)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019763903 856427964 /nfs/dbraw/zinc/42/79/64/856427964.db2.gz ZDBVBGQOVIWDRZ-UHFFFAOYSA-N 1 0 384.499 3.690 40 0 GHABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218515630 895768781 /nfs/dbraw/zinc/76/87/81/895768781.db2.gz KFKQMMJQLBWYJP-AABGKKOBSA-N 1 0 393.936 3.570 40 0 GHABRO O=C(OCC[NH+]1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccccc1 ZINC000001640668 212251441 /nfs/dbraw/zinc/25/14/41/212251441.db2.gz HNVBUDCGAROXSW-UHFFFAOYSA-N 1 0 379.500 3.873 40 0 GHABRO COc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1Br ZINC000001624023 212250895 /nfs/dbraw/zinc/25/08/95/212250895.db2.gz YSOCJYPSQCCGNA-MRXNPFEDSA-N 1 0 392.293 3.904 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)n1 ZINC000329026128 212093592 /nfs/dbraw/zinc/09/35/92/212093592.db2.gz PJWGCXSHXSXVIN-UHFFFAOYSA-N 1 0 379.430 3.902 40 0 GHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)NC1CCCCC1 ZINC000008623605 221047548 /nfs/dbraw/zinc/04/75/48/221047548.db2.gz WUJIFJIBDWLYHB-OALUTQOASA-N 1 0 381.520 3.949 40 0 biogenic,in-vitro GHABRO COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccc(O)cc2)C[C@H]2CCCO2)cc1 ZINC000012116803 221152033 /nfs/dbraw/zinc/15/20/33/221152033.db2.gz XFKOBNFRXQNSGS-JOCHJYFZSA-N 1 0 393.487 3.972 40 0 GHABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293693 221175386 /nfs/dbraw/zinc/17/53/86/221175386.db2.gz GOXDKFVCTRRDGZ-FGZHOGPDSA-N 1 0 397.515 3.778 40 0 GHABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1C ZINC000012293537 221175763 /nfs/dbraw/zinc/17/57/63/221175763.db2.gz VDORHKNLOZMKFB-SFTDATJTSA-N 1 0 385.479 3.827 40 0 GHABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293690 221175951 /nfs/dbraw/zinc/17/59/51/221175951.db2.gz GOXDKFVCTRRDGZ-YADHBBJMSA-N 1 0 397.515 3.778 40 0 GHABRO COc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012292488 221176491 /nfs/dbraw/zinc/17/64/91/221176491.db2.gz JUIMGUNYGANURK-LJQANCHMSA-N 1 0 395.421 3.731 40 0 GHABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1C ZINC000012293533 221176660 /nfs/dbraw/zinc/17/66/60/221176660.db2.gz VDORHKNLOZMKFB-RTWAWAEBSA-N 1 0 385.479 3.827 40 0 GHABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 ZINC000012326626 221182581 /nfs/dbraw/zinc/18/25/81/221182581.db2.gz VHNUXGQUTJGPOA-CQSZACIVSA-N 1 0 381.505 3.727 40 0 GHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000012362856 221185310 /nfs/dbraw/zinc/18/53/10/221185310.db2.gz JOYCFDVCFQLQGW-CQSZACIVSA-N 1 0 376.501 3.559 40 0 GHABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](C[C@@H]4CCOC4)C3)cc2n1 ZINC000012220433 221169391 /nfs/dbraw/zinc/16/93/91/221169391.db2.gz ILWKHFNFALMWTL-KBPBESRZSA-N 1 0 382.430 3.697 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)C)c3nccs3)C2)c1 ZINC000012408166 221190247 /nfs/dbraw/zinc/19/02/47/221190247.db2.gz IVCPPTPTNOGADB-IEBWSBKVSA-N 1 0 387.549 3.877 40 0 GHABRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013683030 221281081 /nfs/dbraw/zinc/28/10/81/221281081.db2.gz ZQJRUQLOLJSXSP-UHFFFAOYSA-N 1 0 383.923 3.898 40 0 GHABRO Clc1cc2c(cc1C[N@@H+]1CC[C@@H](c3nc(-c4ccncc4)no3)C1)OCO2 ZINC000019405877 221412246 /nfs/dbraw/zinc/41/22/46/221412246.db2.gz DTIFUGCUOAGPNJ-CYBMUJFWSA-N 1 0 384.823 3.503 40 0 GHABRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2N)CC1 ZINC000072229307 136167692 /nfs/dbraw/zinc/16/76/92/136167692.db2.gz CBPPZXYQFBEGDX-UHFFFAOYSA-N 1 0 393.318 3.970 40 0 GHABRO Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CC[NH+](C)CC4)cc3C)cc2c1 ZINC000013565084 136201068 /nfs/dbraw/zinc/20/10/68/136201068.db2.gz JSIXPBXDAUZTDX-UHFFFAOYSA-N 1 0 376.504 3.509 40 0 GHABRO O=C1N[C@@]2(COC3(C2)CC[NH+](Cc2ccccc2)CC3)Nc2ccc(Cl)cc21 ZINC000072325566 222227993 /nfs/dbraw/zinc/22/79/93/222227993.db2.gz MNRDFDYZSICUPX-QFIPXVFZSA-N 1 0 397.906 3.647 40 0 GHABRO CC(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)cnc2-c2ccncc2)CC1 ZINC000072343214 222231451 /nfs/dbraw/zinc/23/14/51/222231451.db2.gz MNFHUZHDOKETNF-UHFFFAOYSA-N 1 0 386.499 3.865 40 0 GHABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)n1 ZINC000072350192 222236238 /nfs/dbraw/zinc/23/62/38/222236238.db2.gz KNYNSKIRDUYSAR-LJQANCHMSA-N 1 0 393.531 3.948 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cccc(Cc4ccccc4)n3)C2)CC1 ZINC000072350199 222236260 /nfs/dbraw/zinc/23/62/60/222236260.db2.gz HTEDBJHAYWOEID-NRFANRHFSA-N 1 0 377.532 3.863 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072352541 222237961 /nfs/dbraw/zinc/23/79/61/222237961.db2.gz WZUDIVDGTBRGGG-OAHLLOKOSA-N 1 0 388.496 3.933 40 0 GHABRO Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072353812 222238319 /nfs/dbraw/zinc/23/83/19/222238319.db2.gz RHXKHAMKNMLFNQ-OAQYLSRUSA-N 1 0 395.522 3.922 40 0 GHABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ccnn1C ZINC000072370753 222240935 /nfs/dbraw/zinc/24/09/35/222240935.db2.gz TUUNAPKIXBXTPQ-INIZCTEOSA-N 1 0 396.560 3.982 40 0 GHABRO Cc1cccc(C2(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CCOCC2)c1 ZINC000072391801 222249747 /nfs/dbraw/zinc/24/97/47/222249747.db2.gz NVPGGWLTYURJRB-OAQYLSRUSA-N 1 0 384.495 3.601 40 0 GHABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccccn3)CC1)nc2-c1cccnc1 ZINC000096099950 222379970 /nfs/dbraw/zinc/37/99/70/222379970.db2.gz HIDUIBYRBXLFSL-UHFFFAOYSA-N 1 0 384.487 3.805 40 0 GHABRO COc1ccc([C@@H](C)NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC000195529353 222566487 /nfs/dbraw/zinc/56/64/87/222566487.db2.gz MSSRICLKSTZNHL-KZNAEPCWSA-N 1 0 391.556 3.822 40 0 GHABRO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000096319725 570229019 /nfs/dbraw/zinc/22/90/19/570229019.db2.gz JCOVILCFVSITPQ-XFQXTVEOSA-N 1 0 398.551 3.583 40 0 GHABRO CCC[C@H](c1nnnn1CCc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020142137 570243000 /nfs/dbraw/zinc/24/30/00/570243000.db2.gz MNNNWKWJEIMUJC-JOCHJYFZSA-N 1 0 396.583 3.707 40 0 GHABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000020456213 570259166 /nfs/dbraw/zinc/25/91/66/570259166.db2.gz AFWAYDLARAHQEL-BRWVUGGUSA-N 1 0 394.581 3.669 40 0 GHABRO NC(=O)C1CC[NH+]([C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)CC1 ZINC000020509631 570265035 /nfs/dbraw/zinc/26/50/35/570265035.db2.gz ZHRXXKHEQQGSDW-SFHVURJKSA-N 1 0 396.878 3.677 40 0 GHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3ccc(C)cc3OC)n(C)n2)CC1 ZINC000100687689 570274944 /nfs/dbraw/zinc/27/49/44/570274944.db2.gz YSBQZHVVVSRYRX-KDURUIRLSA-N 1 0 384.568 3.862 40 0 GHABRO CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)[NH+](C)C)CC2)[nH]n1 ZINC000100750237 570276351 /nfs/dbraw/zinc/27/63/51/570276351.db2.gz PBUXOSXRSYECEW-FVJLSDCUSA-N 1 0 383.540 3.767 40 0 GHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)C1 ZINC000219239784 570350257 /nfs/dbraw/zinc/35/02/57/570350257.db2.gz LLCOUXMZNXWMAF-KRWDZBQOSA-N 1 0 390.487 3.899 40 0 GHABRO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@H](c3ccc4ccccc4n3)[C@@H]2C(=O)N1c1ccccc1 ZINC000033821678 570417603 /nfs/dbraw/zinc/41/76/03/570417603.db2.gz RKOONEMLJYTHIL-CIAFKFPVSA-N 1 0 383.451 3.560 40 0 GHABRO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000039763578 570445875 /nfs/dbraw/zinc/44/58/75/570445875.db2.gz IIBIJIBUDMDLCI-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000225006647 570543086 /nfs/dbraw/zinc/54/30/86/570543086.db2.gz TZQILHMXPWDSGD-UHFFFAOYSA-N 1 0 393.531 3.682 40 0 GHABRO Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)ccc21 ZINC000225064911 570546206 /nfs/dbraw/zinc/54/62/06/570546206.db2.gz FJPZEUNGJPKSEI-OAHLLOKOSA-N 1 0 399.491 3.590 40 0 GHABRO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000225737041 570611259 /nfs/dbraw/zinc/61/12/59/570611259.db2.gz DMCRUJSQBMKEMA-CYBMUJFWSA-N 1 0 383.945 3.535 40 0 GHABRO COc1cc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cc1OC ZINC000012187417 570621332 /nfs/dbraw/zinc/62/13/32/570621332.db2.gz JTGGPNLDNYQYNO-IBGZPJMESA-N 1 0 399.487 3.922 40 0 GHABRO C[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccnc2ccc(Cl)cc12 ZINC000057810284 570703789 /nfs/dbraw/zinc/70/37/89/570703789.db2.gz ACQAOSMWXURCCY-CQSZACIVSA-N 1 0 384.863 4.000 40 0 GHABRO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000257220677 570763008 /nfs/dbraw/zinc/76/30/08/570763008.db2.gz DLRSOXUXVISPDO-HNNXBMFYSA-N 1 0 382.533 3.763 40 0 GHABRO Cc1noc(C)c1-c1cc(C[C@H]2CCC[N@H+](Cc3ncccc3F)C2)ncn1 ZINC000257264381 570772470 /nfs/dbraw/zinc/77/24/70/570772470.db2.gz LUCJKKHVKMGHBI-MRXNPFEDSA-N 1 0 381.455 3.737 40 0 GHABRO Cc1cccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n1 ZINC000257273069 570773956 /nfs/dbraw/zinc/77/39/56/570773956.db2.gz NFDFTNSMSZCLTA-CFKFVRPNSA-N 1 0 375.516 3.746 40 0 GHABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1ccnc(Cc2cccc(F)c2)c1 ZINC000257329456 570782428 /nfs/dbraw/zinc/78/24/28/570782428.db2.gz XKBOFPJGIFCIPV-HYVLGVRCSA-N 1 0 393.506 3.947 40 0 GHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1C[C@@H]1CCCO1 ZINC000585099816 570925730 /nfs/dbraw/zinc/92/57/30/570925730.db2.gz CLQKNKRDZVNVIB-LADGPHEKSA-N 1 0 382.548 3.701 40 0 GHABRO CC(C)C[C@H](O)C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100802 570928636 /nfs/dbraw/zinc/92/86/36/570928636.db2.gz WYQOAOGINDSTOL-RBBKRZOGSA-N 1 0 376.516 3.580 40 0 GHABRO CC1(C(=O)NC2CC3(C2)CC[NH+](Cc2ccc(OCC(F)F)cc2)CC3)CC1 ZINC000585102735 570931167 /nfs/dbraw/zinc/93/11/67/570931167.db2.gz CJFDQHYXRBYYSL-UHFFFAOYSA-N 1 0 392.490 3.991 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)cc1 ZINC000306124528 570936352 /nfs/dbraw/zinc/93/63/52/570936352.db2.gz BSTPALZEQXEODV-GOTSBHOMSA-N 1 0 387.483 3.578 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 ZINC000306130248 570939385 /nfs/dbraw/zinc/93/93/85/570939385.db2.gz IZYVSAWKRKLLCE-OAQYLSRUSA-N 1 0 381.501 3.795 40 0 GHABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 ZINC000306143276 570946255 /nfs/dbraw/zinc/94/62/55/570946255.db2.gz XXQHZCPSAYJRKX-HXUWFJFHSA-N 1 0 384.480 3.629 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306143350 570946639 /nfs/dbraw/zinc/94/66/39/570946639.db2.gz XZZHCGVZBOQQTL-HXUWFJFHSA-N 1 0 385.471 3.789 40 0 GHABRO Fc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1C(F)(F)F ZINC000228942294 570952182 /nfs/dbraw/zinc/95/21/82/570952182.db2.gz FGBNQZLNYSILPE-UHFFFAOYSA-N 1 0 380.349 3.652 40 0 GHABRO Cc1ccc2oc(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)cc2c1 ZINC000019221304 570963245 /nfs/dbraw/zinc/96/32/45/570963245.db2.gz YLOADJWRNDPFKS-INIZCTEOSA-N 1 0 390.487 3.539 40 0 GHABRO COc1ccc2[nH]c(C[N@@H+]3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@@H]4C3)c(C)c2c1 ZINC000019237697 570967339 /nfs/dbraw/zinc/96/73/39/570967339.db2.gz TVNYQKNCKNUKFA-IQOKHDRSSA-N 1 0 391.515 3.918 40 0 GHABRO Cn1nc(C2CC2)cc1C(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C ZINC000019288830 570971042 /nfs/dbraw/zinc/97/10/42/570971042.db2.gz NRTQKEQXUKIMLB-KJXAQDMKSA-N 1 0 392.547 3.780 40 0 GHABRO Cn1nccc1C(=O)NC1CC[NH+](C[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000019289194 570971056 /nfs/dbraw/zinc/97/10/56/570971056.db2.gz RVOWPUJMRRIQEU-JOCHJYFZSA-N 1 0 394.563 3.978 40 0 GHABRO Cn1ccnc1[C@H](NC(=O)c1ccoc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000019291220 570971780 /nfs/dbraw/zinc/97/17/80/570971780.db2.gz GPXOXFUFCWVVGW-HXUWFJFHSA-N 1 0 396.466 3.658 40 0 GHABRO Cn1ccnc1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019291184 570971959 /nfs/dbraw/zinc/97/19/59/570971959.db2.gz HISDHZJSKBUWOC-LEWJYISDSA-N 1 0 392.478 3.602 40 0 GHABRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C2CCOCC2)c2cnccc2n1 ZINC000019496372 570989528 /nfs/dbraw/zinc/98/95/28/570989528.db2.gz CTQBWMJZGHCJPP-KRWDZBQOSA-N 1 0 396.535 3.518 40 0 GHABRO CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019498862 570991652 /nfs/dbraw/zinc/99/16/52/570991652.db2.gz QRADERUOQQYNGU-IBGZPJMESA-N 1 0 386.540 3.584 40 0 GHABRO CCn1cc([C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)c2ccc(F)cc2)c2ccncc21 ZINC000019524809 570996858 /nfs/dbraw/zinc/99/68/58/570996858.db2.gz APMNGZJCEGBCIP-FPOVZHCZSA-N 1 0 382.483 3.774 40 0 GHABRO Cc1c(-c2cc(C(=O)Nc3ccccc3C[NH+]3CCCCC3)on2)cnn1C ZINC000019554261 571002473 /nfs/dbraw/zinc/00/24/73/571002473.db2.gz VZCMAJAKAPKAGR-UHFFFAOYSA-N 1 0 379.464 3.622 40 0 GHABRO COc1ncc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cn1 ZINC000019564407 571006812 /nfs/dbraw/zinc/00/68/12/571006812.db2.gz BXJCGDGMOXHONY-CYBMUJFWSA-N 1 0 389.406 3.647 40 0 GHABRO Cc1cc(C)n(CCCC(=O)Nc2ccccc2C[NH+]2CCCCCC2)c(=O)n1 ZINC000019572613 571010710 /nfs/dbraw/zinc/01/07/10/571010710.db2.gz WESAUEMNLBITCN-UHFFFAOYSA-N 1 0 396.535 3.655 40 0 GHABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)Cc1ccccc1)Cc1ccccc1O2 ZINC000019584005 571014757 /nfs/dbraw/zinc/01/47/57/571014757.db2.gz JWXCWEVLOJSINC-UHFFFAOYSA-N 1 0 378.516 3.893 40 0 GHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019591756 571019307 /nfs/dbraw/zinc/01/93/07/571019307.db2.gz BVETXYIOKUQKSV-HSZRJFAPSA-N 1 0 391.540 3.991 40 0 GHABRO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000009062912 856410043 /nfs/dbraw/zinc/41/00/43/856410043.db2.gz GMLXFBKAJGWEAW-UHFFFAOYSA-N 1 0 380.488 3.941 40 0 GHABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000019701952 856424607 /nfs/dbraw/zinc/42/46/07/856424607.db2.gz HQDXEIPXDVCJRC-KRWDZBQOSA-N 1 0 395.528 3.662 40 0 GHABRO COc1ccc(Br)cc1CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019361797 860204932 /nfs/dbraw/zinc/20/49/32/860204932.db2.gz HZIUADIWXDMZDB-HDMKZQKVSA-N 1 0 379.342 3.764 40 0 GHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257286491 222770055 /nfs/dbraw/zinc/77/00/55/222770055.db2.gz PLTOUIDMHGYXEO-LJQANCHMSA-N 1 0 399.510 3.987 40 0 GHABRO Nc1cc(N)[nH+]c(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000001085559 212215399 /nfs/dbraw/zinc/21/53/99/212215399.db2.gz DFDZBDQPOZZYSE-UHFFFAOYSA-N 1 0 385.880 3.839 40 0 GHABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4ccc(F)cc4)CCN3C(C)(C)C2)cc1 ZINC000253396275 212135578 /nfs/dbraw/zinc/13/55/78/212135578.db2.gz DMAPXSDKMTXHSL-QFIPXVFZSA-N 1 0 397.538 3.615 40 0 biogenic,in-vitro GHABRO C[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000226259240 212114488 /nfs/dbraw/zinc/11/44/88/212114488.db2.gz RUZHQDGNGWDCJN-UHFFFAOYSA-N 1 0 379.291 3.580 40 0 GHABRO CC[C@H](C)Nc1nc(N2CCc3ccc(Br)cc3C2)cc(C)[nH+]1 ZINC000329025700 212093527 /nfs/dbraw/zinc/09/35/27/212093527.db2.gz PHWIDYNPEDUAJI-LBPRGKRZSA-N 1 0 375.314 3.743 40 0 GHABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000012089236 221149168 /nfs/dbraw/zinc/14/91/68/221149168.db2.gz FRVOJLFGVAITKY-OALUTQOASA-N 1 0 384.549 3.798 40 0 GHABRO CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1OC ZINC000012135089 221157370 /nfs/dbraw/zinc/15/73/70/221157370.db2.gz JZYNCVGSJGEKOE-LIMIJEPZSA-N 1 0 382.504 3.609 40 0 GHABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(C)c(C)c3)CC1)C[C@H]2O ZINC000012293504 221175743 /nfs/dbraw/zinc/17/57/43/221175743.db2.gz ODYPCQLMKNRRSJ-YADHBBJMSA-N 1 0 397.515 3.696 40 0 GHABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293694 221176054 /nfs/dbraw/zinc/17/60/54/221176054.db2.gz GOXDKFVCTRRDGZ-VXKWHMMOSA-N 1 0 397.515 3.778 40 0 GHABRO Cc1c(C[NH+]2CCC(O)(c3ccccc3F)CC2)c2ccccc2n1CCCO ZINC000012363539 221185389 /nfs/dbraw/zinc/18/53/89/221185389.db2.gz CHFGHDXIAQBJLM-UHFFFAOYSA-N 1 0 396.506 3.955 40 0 GHABRO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012201722 221167202 /nfs/dbraw/zinc/16/72/02/221167202.db2.gz YQBSTLBFNOHDKS-FQEVSTJZSA-N 1 0 388.870 3.563 40 0 GHABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]31)OCO2 ZINC000013226775 221264277 /nfs/dbraw/zinc/26/42/77/221264277.db2.gz IEAHAZDGYRTBLL-XLIONFOSSA-N 1 0 396.462 3.599 40 0 GHABRO CC(=O)N(C)C1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc1O2 ZINC000019016299 221393947 /nfs/dbraw/zinc/39/39/47/221393947.db2.gz IBHGEVNEEDKTGW-UHFFFAOYSA-N 1 0 379.504 3.636 40 0 GHABRO c1csc(-c2nc(N3CC[N@H+]4CCCC[C@@H]4C3)ncc2-c2ccncc2)c1 ZINC000072396559 136169104 /nfs/dbraw/zinc/16/91/04/136169104.db2.gz ZIAUZBMIAMJAAV-QGZVFWFLSA-N 1 0 377.517 3.942 40 0 GHABRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C1)=CC2 ZINC000072341392 222231321 /nfs/dbraw/zinc/23/13/21/222231321.db2.gz NDJIUGRAAGKUEC-KFGODFMUSA-N 1 0 391.510 3.973 40 0 GHABRO COc1ccccc1Cc1cccc(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000072349982 222236409 /nfs/dbraw/zinc/23/64/09/222236409.db2.gz PTLQHIZPFGFVGU-UHFFFAOYSA-N 1 0 376.504 3.794 40 0 GHABRO C[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)Nc4nccs4)CCOCC3)c2)C1 ZINC000072372239 222243404 /nfs/dbraw/zinc/24/34/04/222243404.db2.gz WFIBNKCJALTPHC-IBGZPJMESA-N 1 0 399.560 3.930 40 0 GHABRO CC(C)(C)[NH2+]C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075485 222377246 /nfs/dbraw/zinc/37/72/46/222377246.db2.gz OJASWGSLGMGZJF-SBUREZEXSA-N 1 0 381.520 3.634 40 0 GHABRO O=C([C@H]1CCC[N@H+](Cc2ccncc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000005813983 526537358 /nfs/dbraw/zinc/53/73/58/526537358.db2.gz ZAJBBSLDNHIDGQ-QHCPKHFHSA-N 1 0 377.532 3.775 40 0 GHABRO Cn1cc(C[NH2+]C[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)c2ccccc21 ZINC000096296388 560060247 /nfs/dbraw/zinc/06/02/47/560060247.db2.gz OUGLEXVACTYXHU-IBGZPJMESA-N 1 0 390.462 3.870 40 0 biogenic,in-vitro GHABRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1 ZINC000096226039 570220931 /nfs/dbraw/zinc/22/09/31/570220931.db2.gz YFFWGXVPGKAIFG-JOCHJYFZSA-N 1 0 378.476 3.565 40 0 GHABRO O=C(c1ccco1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)Cc1ccccc12 ZINC000096242528 570223260 /nfs/dbraw/zinc/22/32/60/570223260.db2.gz SAIRHHBVTIFTMG-UHFFFAOYSA-N 1 0 387.483 3.864 40 0 GHABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@@H](O)c3ccccc3)cc2)n1 ZINC000585270124 570238672 /nfs/dbraw/zinc/23/86/72/570238672.db2.gz GIOFIGLTJBYSAG-HSZRJFAPSA-N 1 0 379.504 3.744 40 0 GHABRO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@@H+](C3CCC(C)(C)CC3)CC[C@@H]2O)c1 ZINC000585282658 570250487 /nfs/dbraw/zinc/25/04/87/570250487.db2.gz MFPKZXCQIGNSBV-FPOVZHCZSA-N 1 0 381.944 3.794 40 0 GHABRO COc1cc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc(OC)c1 ZINC000585289649 570257425 /nfs/dbraw/zinc/25/74/25/570257425.db2.gz UCHMBBAMBGLMQD-PWRODBHTSA-N 1 0 391.895 3.808 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC000105983281 570306272 /nfs/dbraw/zinc/30/62/72/570306272.db2.gz MIKSKFZKIUWBQP-XMMPIXPASA-N 1 0 387.483 3.826 40 0 GHABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216406 570317395 /nfs/dbraw/zinc/31/73/95/570317395.db2.gz WTXMHDSPRSBBJI-IBGZPJMESA-N 1 0 388.556 3.932 40 0 GHABRO C[C@@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022075799 570321541 /nfs/dbraw/zinc/32/15/41/570321541.db2.gz UCWZKVMMNZEHNW-CQSZACIVSA-N 1 0 383.319 3.632 40 0 GHABRO COc1ccc(OCCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024390023 570383118 /nfs/dbraw/zinc/38/31/18/570383118.db2.gz FDGYIJCNTAUZNX-UHFFFAOYSA-N 1 0 382.504 3.766 40 0 GHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039748566 570446971 /nfs/dbraw/zinc/44/69/71/570446971.db2.gz NFXPAOOXQSNHIE-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000223247785 570452778 /nfs/dbraw/zinc/45/27/78/570452778.db2.gz QFTGXYWVLQSDAO-SFTDATJTSA-N 1 0 397.592 3.922 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000223289353 570456210 /nfs/dbraw/zinc/45/62/10/570456210.db2.gz FMBLUBSTGDJFPA-NHCUHLMSSA-N 1 0 397.592 3.922 40 0 GHABRO Cc1noc(C)c1COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2)cc1 ZINC000257284667 570488921 /nfs/dbraw/zinc/48/89/21/570488921.db2.gz PDSMXPYNYHSFFN-HXUWFJFHSA-N 1 0 396.487 3.742 40 0 GHABRO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000224028432 570495494 /nfs/dbraw/zinc/49/54/94/570495494.db2.gz LOJIPKVHRBEZDJ-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000032398977 570510409 /nfs/dbraw/zinc/51/04/09/570510409.db2.gz PCAANELHLSOSIN-UHFFFAOYSA-N 1 0 382.504 3.662 40 0 GHABRO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000225007218 570542977 /nfs/dbraw/zinc/54/29/77/570542977.db2.gz BGAHLUIBAYBLGN-UHFFFAOYSA-N 1 0 397.494 3.513 40 0 GHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851353 570587765 /nfs/dbraw/zinc/58/77/65/570587765.db2.gz CVAOYNGFRUQTQJ-LJQANCHMSA-N 1 0 399.485 3.526 40 0 GHABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000225561530 570588311 /nfs/dbraw/zinc/58/83/11/570588311.db2.gz MUJZCBNKCFDYMN-UHFFFAOYSA-N 1 0 382.504 3.704 40 0 GHABRO COc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2cccnc12 ZINC000225732329 570610666 /nfs/dbraw/zinc/61/06/66/570610666.db2.gz VODKAACKBDCRNE-IYBDPMFKSA-N 1 0 386.565 3.898 40 0 GHABRO CCOC(=O)c1cc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000225737428 570611069 /nfs/dbraw/zinc/61/10/69/570611069.db2.gz AIJYBWDNKYWYPI-CQSZACIVSA-N 1 0 397.972 3.925 40 0 GHABRO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000044852899 570636242 /nfs/dbraw/zinc/63/62/42/570636242.db2.gz MNROALBUVQOBLU-GOSISDBHSA-N 1 0 384.495 3.930 40 0 GHABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000033534409 570741301 /nfs/dbraw/zinc/74/13/01/570741301.db2.gz VNMRXZNXEDNUMN-MDFGKDKASA-N 1 0 390.543 3.540 40 0 GHABRO COc1cccc2c1OC1(CC[NH+](Cc3ccccn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257222956 570763118 /nfs/dbraw/zinc/76/31/18/570763118.db2.gz DVHFGFIBTBEEDE-PZJWPPBQSA-N 1 0 380.488 3.985 40 0 GHABRO CC(=O)Nc1cccc([C@@H]2C[N@@H+](C3CCCCC3)C[C@]23CCCCC(=O)N3)c1 ZINC000257226100 570763712 /nfs/dbraw/zinc/76/37/12/570763712.db2.gz FJDVUFMQBDHKRV-JTHBVZDNSA-N 1 0 383.536 3.806 40 0 GHABRO CN1C(=O)CCC[C@]12C[N@H+](CCOc1ccccc1)C[C@H]2c1ccc(F)cc1 ZINC000257240230 570767873 /nfs/dbraw/zinc/76/78/73/570767873.db2.gz HSQXSFBHDYPBSN-JTHBVZDNSA-N 1 0 382.479 3.685 40 0 GHABRO CCOc1ccccc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)[nH]n1 ZINC000257259796 570771481 /nfs/dbraw/zinc/77/14/81/570771481.db2.gz LABGNMYXCPNJGR-HJIBZVINSA-N 1 0 394.519 3.611 40 0 GHABRO Cc1c(C[NH+]2CCC(c3cccc(Nc4cccc(C)n4)n3)CC2)cnn1C ZINC000257268579 570773154 /nfs/dbraw/zinc/77/31/54/570773154.db2.gz MMHGLKKRLFCZQI-UHFFFAOYSA-N 1 0 376.508 3.950 40 0 GHABRO Cc1nc2cc([C@H]3CCC[N@H+]3C(C)C)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257280306 570774793 /nfs/dbraw/zinc/77/47/93/570774793.db2.gz OKIQTRPSKWQHTE-OAQYLSRUSA-N 1 0 397.567 3.883 40 0 GHABRO Cc1cccc(N2[C@H]3CCC[N@H+](CC(N)=O)[C@H]3C[C@@]2(C)Cc2ccc(F)cc2)c1 ZINC000257294814 570777394 /nfs/dbraw/zinc/77/73/94/570777394.db2.gz QVVOKGIUMGFMTE-WPFOTENUSA-N 1 0 395.522 3.664 40 0 GHABRO CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@@H+]3C)[nH]n1 ZINC000257299792 570778091 /nfs/dbraw/zinc/77/80/91/570778091.db2.gz RRPSYRWACQDQDT-GMAHTHKFSA-N 1 0 396.535 3.954 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257301096 570778310 /nfs/dbraw/zinc/77/83/10/570778310.db2.gz RWZFLMFDKWOQFZ-QHCPKHFHSA-N 1 0 399.510 3.626 40 0 GHABRO Cc1nc(-c2cccnc2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2 ZINC000257305701 570778931 /nfs/dbraw/zinc/77/89/31/570778931.db2.gz SRCJHYRAQWCDJU-GRXQJBFDSA-N 1 0 382.533 3.649 40 0 GHABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000257308516 570779359 /nfs/dbraw/zinc/77/93/59/570779359.db2.gz TWZPOTAFRFFKMI-HNNXBMFYSA-N 1 0 380.517 3.773 40 0 GHABRO CN(C)C(=O)c1sc2nccnc2c1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257314353 570780347 /nfs/dbraw/zinc/78/03/47/570780347.db2.gz UWPBXMTWOFZIJV-UHFFFAOYSA-N 1 0 380.517 3.773 40 0 GHABRO COc1cccc(Nc2cc(C)nc([C@@H]3CC[N@H+](Cc4cnn(C)c4)C3)c2)c1 ZINC000257333729 570783458 /nfs/dbraw/zinc/78/34/58/570783458.db2.gz YCVCOCHUVXVDDL-GOSISDBHSA-N 1 0 377.492 3.865 40 0 GHABRO Cc1cc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c(C)s1 ZINC000072340530 570881100 /nfs/dbraw/zinc/88/11/00/570881100.db2.gz JEQZFBFHNAGGQO-OAQYLSRUSA-N 1 0 396.560 3.502 40 0 GHABRO CCOc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000257342747 570910482 /nfs/dbraw/zinc/91/04/82/570910482.db2.gz ZPZSEXJIEPZFSB-YDHSSHFGSA-N 1 0 381.520 3.645 40 0 GHABRO CCC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019501959 570927144 /nfs/dbraw/zinc/92/71/44/570927144.db2.gz KYIDZJIRUXDCMT-IBGZPJMESA-N 1 0 388.585 3.574 40 0 GHABRO O=C(CCc1ccc(Cl)cc1)N1CCC[C@@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585101805 570927524 /nfs/dbraw/zinc/92/75/24/570927524.db2.gz HKSXFUCULRDLJV-TZIWHRDSSA-N 1 0 376.928 3.519 40 0 GHABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 ZINC000306134857 570941562 /nfs/dbraw/zinc/94/15/62/570941562.db2.gz NZXAOSXIHIAFHP-QGZVFWFLSA-N 1 0 378.505 3.571 40 0 GHABRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)s1 ZINC000306135471 570942236 /nfs/dbraw/zinc/94/22/36/570942236.db2.gz ORXZMWIGRJASHV-RBUKOAKNSA-N 1 0 398.557 3.704 40 0 GHABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3ccc(C)o3)C1)O2 ZINC000019216594 570961864 /nfs/dbraw/zinc/96/18/64/570961864.db2.gz XBGUJROYZQFNJX-JPYJTQIMSA-N 1 0 398.503 3.618 40 0 GHABRO Cc1ccc2occ(CN3C[C@@H]4CCC[N@@H+]4C[C@H]3Cc3ccccc3)c(=O)c2c1 ZINC000019219851 570962725 /nfs/dbraw/zinc/96/27/25/570962725.db2.gz NUHYRBUQVIZZJC-FCHUYYIVSA-N 1 0 388.511 3.993 40 0 GHABRO Cc1ccccc1[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)C[C@H]1c1csnn1 ZINC000019237419 570966680 /nfs/dbraw/zinc/96/66/80/570966680.db2.gz WDZDTILSWMYKDN-CPLUKWAASA-N 1 0 398.576 3.534 40 0 GHABRO Cc1nccn1C[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000019287773 570970629 /nfs/dbraw/zinc/97/06/29/570970629.db2.gz XKNYMGMEDWPZFP-GOSISDBHSA-N 1 0 384.524 3.577 40 0 GHABRO O=C(Cc1ccsc1)N1C[C@@H]2CCCC[N@@H+](CCc3ccc(F)cc3)[C@@H]2C1 ZINC000019333650 570975619 /nfs/dbraw/zinc/97/56/19/570975619.db2.gz ZXAQUSUBDCKRPV-PZJWPPBQSA-N 1 0 386.536 3.985 40 0 GHABRO c1csc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019343427 570977225 /nfs/dbraw/zinc/97/72/25/570977225.db2.gz VHWRQBDGNAMCPS-INIZCTEOSA-N 1 0 394.548 3.908 40 0 GHABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CCCC2)CC1)c1[nH]ncc1Cl ZINC000019369743 570980603 /nfs/dbraw/zinc/98/06/03/570980603.db2.gz KKKPUCRTNWKBLK-UHFFFAOYSA-N 1 0 386.927 3.769 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)c1 ZINC000019496752 570990081 /nfs/dbraw/zinc/99/00/81/570990081.db2.gz DGGGXPGCZCYIGU-LJQANCHMSA-N 1 0 397.519 3.935 40 0 GHABRO CCCOc1ccccc1CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019525168 570996659 /nfs/dbraw/zinc/99/66/59/570996659.db2.gz UONNCGXVIHAYIO-OAQYLSRUSA-N 1 0 380.536 3.981 40 0 GHABRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)c1 ZINC000019565414 571007645 /nfs/dbraw/zinc/00/76/45/571007645.db2.gz PGZGFTCUDKRIIJ-FKBYEOEOSA-N 1 0 396.556 3.983 40 0 GHABRO Cc1nn([C@@H](C)CC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c(C)c1Cl ZINC000019577538 571012170 /nfs/dbraw/zinc/01/21/70/571012170.db2.gz NYXOOTGPQFKGLB-YJBOKZPZSA-N 1 0 380.964 3.971 40 0 GHABRO COCCn1cnc2cc(C(=O)N3CCCC[C@H]3C[NH+]3CCCCCC3)ccc21 ZINC000019594219 571020216 /nfs/dbraw/zinc/02/02/16/571020216.db2.gz LXMULRLIWGTILF-FQEVSTJZSA-N 1 0 398.551 3.553 40 0 GHABRO COc1cccc(Cc2ccc([C@H]3CCC[N@H+](Cc4ccnn4C)C3)nc2)c1 ZINC000019690297 571029085 /nfs/dbraw/zinc/02/90/85/571029085.db2.gz BZLDGRWJYQQDHW-FQEVSTJZSA-N 1 0 376.504 3.794 40 0 GHABRO Cc1noc2nc(C)cc(C(=O)Nc3cc(C)ccc3OCC[NH+]3CCCC3)c12 ZINC000019715828 571037671 /nfs/dbraw/zinc/03/76/71/571037671.db2.gz XOAOUGDVRNJWON-UHFFFAOYSA-N 1 0 394.475 3.875 40 0 GHABRO Cc1cccc2c(C(=O)NC[C@H](C(C)C)[NH+](C)C)cc(-c3cccnc3)nc12 ZINC000019716685 571038571 /nfs/dbraw/zinc/03/85/71/571038571.db2.gz DZOATRBWOWNGBG-OAQYLSRUSA-N 1 0 376.504 3.921 40 0 GHABRO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000009062603 856409955 /nfs/dbraw/zinc/40/99/55/856409955.db2.gz QWMDNXGMYYSCNH-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cc(F)ccc2OC)c(OC)c1 ZINC000019552142 856421726 /nfs/dbraw/zinc/42/17/26/856421726.db2.gz JUKSONIFRMKDHP-RTBURBONSA-N 1 0 375.440 3.722 40 0 GHABRO Cc1ncc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)s1 ZINC000019702522 856425014 /nfs/dbraw/zinc/42/50/14/856425014.db2.gz IPGBTDKNVGGISG-CYBMUJFWSA-N 1 0 386.546 3.753 40 0 GHABRO O=C(c1cc(C2CC2)on1)N1CCCCC[C@H]2[NH2+][C@H](Cc3ccccc3)C[C@@H]21 ZINC000019712950 856427278 /nfs/dbraw/zinc/42/72/78/856427278.db2.gz UWDLQWAKISNGFL-SBHAEUEKSA-N 1 0 379.504 3.910 40 0 GHABRO Cc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044852532 856443069 /nfs/dbraw/zinc/44/30/69/856443069.db2.gz XAJDMVMWLBNLBV-ICSRJNTNSA-N 1 0 384.495 3.930 40 0 GHABRO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000224095253 222649498 /nfs/dbraw/zinc/64/94/98/222649498.db2.gz VQRJQPRBIGREJN-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO CC(C)Cc1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)[nH]n1 ZINC000257199192 212140623 /nfs/dbraw/zinc/14/06/23/212140623.db2.gz WDALTMWEEOLIFO-UDKICSLYSA-N 1 0 382.552 3.643 40 0 GHABRO Cc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000026781105 212108355 /nfs/dbraw/zinc/10/83/55/212108355.db2.gz XNYWUQYZSONDEQ-JOCHJYFZSA-N 1 0 396.575 3.850 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2)cc(-c2cccnc2)n1 ZINC000328987689 212092427 /nfs/dbraw/zinc/09/24/27/212092427.db2.gz IEBDFVGTSAYIRE-UHFFFAOYSA-N 1 0 382.899 3.721 40 0 GHABRO CCOCCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000008253155 221033079 /nfs/dbraw/zinc/03/30/79/221033079.db2.gz LBTWGXJBZULTIG-UHFFFAOYSA-N 1 0 381.108 3.736 40 0 GHABRO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000011716385 221123382 /nfs/dbraw/zinc/12/33/82/221123382.db2.gz MKPPPAOOAPVUGE-GOSISDBHSA-N 1 0 382.504 3.765 40 0 GHABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330219 221182073 /nfs/dbraw/zinc/18/20/73/221182073.db2.gz XEBGHOWCYQJQCG-XZOQPEGZSA-N 1 0 393.527 3.868 40 0 GHABRO Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)c1 ZINC000018217530 221390413 /nfs/dbraw/zinc/39/04/13/221390413.db2.gz CVGJUWCYJDYSKO-UHFFFAOYSA-N 1 0 396.531 3.646 40 0 GHABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)cc(OC)c1OC ZINC000019549904 221425348 /nfs/dbraw/zinc/42/53/48/221425348.db2.gz SLROMJHAJNOPMM-SFTDATJTSA-N 1 0 396.531 3.604 40 0 GHABRO C[C@@H]1CCCN(c2ncc(-c3cncn3Cc3ccccc3C[NH+](C)C)cn2)C1 ZINC000072391889 136169171 /nfs/dbraw/zinc/16/91/71/136169171.db2.gz FJYHZKOBKYUKSF-GOSISDBHSA-N 1 0 390.535 3.686 40 0 GHABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3ccc(Cl)cc3)cc2)CC1 ZINC000032896540 221745629 /nfs/dbraw/zinc/74/56/29/221745629.db2.gz GGFCUOILKNLSIE-UHFFFAOYSA-N 1 0 389.952 3.964 40 0 GHABRO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCC1 ZINC000072348786 222234467 /nfs/dbraw/zinc/23/44/67/222234467.db2.gz DCKGEGBVFXDZEI-IBGZPJMESA-N 1 0 381.495 3.613 40 0 GHABRO COCCC(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)[nH+]2)C1 ZINC000072352033 222237837 /nfs/dbraw/zinc/23/78/37/222237837.db2.gz MIBJOJHDYKBNJC-KRWDZBQOSA-N 1 0 383.492 3.885 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072358187 222239240 /nfs/dbraw/zinc/23/92/40/222239240.db2.gz QXNNGLKUGZQYHO-QHCPKHFHSA-N 1 0 381.495 3.959 40 0 GHABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4cccc(OC)c4OC)C3)n2)c1 ZINC000072369873 222241531 /nfs/dbraw/zinc/24/15/31/222241531.db2.gz ACHHEBQWIFEYIR-QGZVFWFLSA-N 1 0 395.459 3.752 40 0 GHABRO Fc1cccc(-c2ccc(CN3CCn4c(nnc4[C@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000072373965 222242900 /nfs/dbraw/zinc/24/29/00/222242900.db2.gz DLTOFWDZSICXMF-HXUWFJFHSA-N 1 0 377.467 3.525 40 0 GHABRO COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)C[NH+]2CCCCCC2)c1 ZINC000072380346 222245097 /nfs/dbraw/zinc/24/50/97/222245097.db2.gz XKIQKYHNCBNGDQ-HXUWFJFHSA-N 1 0 382.508 3.625 40 0 GHABRO COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)C[NH+]2CCCCCC2)c1 ZINC000072380345 222245588 /nfs/dbraw/zinc/24/55/88/222245588.db2.gz XKIQKYHNCBNGDQ-FQEVSTJZSA-N 1 0 382.508 3.625 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052794 222375632 /nfs/dbraw/zinc/37/56/32/222375632.db2.gz CORUXRWWKZHZSR-IBGZPJMESA-N 1 0 394.515 3.550 40 0 GHABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096061349 222376103 /nfs/dbraw/zinc/37/61/03/222376103.db2.gz TUZYSKYAGTZZOD-NRFANRHFSA-N 1 0 382.504 3.585 40 0 GHABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096061348 222376812 /nfs/dbraw/zinc/37/68/12/222376812.db2.gz TUZYSKYAGTZZOD-OAQYLSRUSA-N 1 0 382.504 3.585 40 0 GHABRO CC[N@@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3ccccc3)CC[C@@H]12 ZINC000096145308 222389217 /nfs/dbraw/zinc/38/92/17/222389217.db2.gz HJJFEWMJGBBEJX-ZJSXRUAMSA-N 1 0 391.515 3.642 40 0 GHABRO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CC(=O)Nc2ccccc21 ZINC000408575359 534700141 /nfs/dbraw/zinc/70/01/41/534700141.db2.gz KHCQDBGHUCSUNI-UHFFFAOYSA-N 1 0 397.478 3.844 40 0 GHABRO CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113970616 536045244 /nfs/dbraw/zinc/04/52/44/536045244.db2.gz MLSJAZSHRCGWSD-NRFANRHFSA-N 1 0 381.520 3.851 40 0 GHABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766259 570217661 /nfs/dbraw/zinc/21/76/61/570217661.db2.gz CXPPTRHBLDVRAP-LJQANCHMSA-N 1 0 387.487 3.812 40 0 GHABRO c1cncc(CNc2ccc3nc(C4CC[NH+](Cc5cccnc5)CC4)nn3c2)c1 ZINC000096267306 570227204 /nfs/dbraw/zinc/22/72/04/570227204.db2.gz BYTHZSNDLUBYNN-UHFFFAOYSA-N 1 0 399.502 3.511 40 0 GHABRO C[C@H](O)C[NH2+]CCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022075507 570321781 /nfs/dbraw/zinc/32/17/81/570321781.db2.gz RALCAOKFVHXMIY-AWEZNQCLSA-N 1 0 383.319 3.632 40 0 GHABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]CCN2CCOCC2)c1 ZINC000023468451 570363311 /nfs/dbraw/zinc/36/33/11/570363311.db2.gz YOJQOMCOEBNZEW-UHFFFAOYSA-N 1 0 395.330 3.994 40 0 GHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000022931792 570379335 /nfs/dbraw/zinc/37/93/35/570379335.db2.gz GJLJSXFKTRYKIQ-GOSISDBHSA-N 1 0 387.911 3.950 40 0 GHABRO COc1cc(CN(CC[NH+](C)C)Cc2cccnc2)ccc1OC1CCCC1 ZINC000022931651 570379483 /nfs/dbraw/zinc/37/94/83/570379483.db2.gz KVIYKKVOXKDVRJ-UHFFFAOYSA-N 1 0 383.536 3.975 40 0 GHABRO CC[NH+](CC)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)[C@H](COC)OC ZINC000004792383 570406010 /nfs/dbraw/zinc/40/60/10/570406010.db2.gz SWYKAZJQKQLLEF-YADHBBJMSA-N 1 0 399.531 3.734 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000223289032 570456273 /nfs/dbraw/zinc/45/62/73/570456273.db2.gz DRLCVYZRBBNDIO-VQTJNVASSA-N 1 0 383.565 3.532 40 0 GHABRO CC(C)(C[NH+]1CCCCC1)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 ZINC000035316559 570470059 /nfs/dbraw/zinc/47/00/59/570470059.db2.gz PXSVQCXZJVXADP-UHFFFAOYSA-N 1 0 395.482 3.530 40 0 GHABRO Cn1nccc1-c1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c2ccccc2n1 ZINC000035316604 570470464 /nfs/dbraw/zinc/47/04/64/570470464.db2.gz SJWLKRLOYYCDEA-UHFFFAOYSA-N 1 0 391.519 3.630 40 0 GHABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000224518072 570516413 /nfs/dbraw/zinc/51/64/13/570516413.db2.gz KWSYFCFPPJMJJZ-UHFFFAOYSA-N 1 0 378.516 3.647 40 0 GHABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000225650851 570598249 /nfs/dbraw/zinc/59/82/49/570598249.db2.gz IPIPPWJOFSMAJA-GOSISDBHSA-N 1 0 393.531 3.723 40 0 GHABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000225673668 570601628 /nfs/dbraw/zinc/60/16/28/570601628.db2.gz UKPJEMARIUFXKC-SFHVURJKSA-N 1 0 393.531 3.723 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000225737463 570611278 /nfs/dbraw/zinc/61/12/78/570611278.db2.gz FLVNSGBNUCLAKS-CQSZACIVSA-N 1 0 397.972 3.925 40 0 GHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000044851738 570636029 /nfs/dbraw/zinc/63/60/29/570636029.db2.gz ZRMSRHQBRLKUTG-UHFFFAOYSA-N 1 0 396.531 3.665 40 0 GHABRO CSc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044874344 570637527 /nfs/dbraw/zinc/63/75/27/570637527.db2.gz HUUFRIXYTJKIHU-UHFFFAOYSA-N 1 0 390.574 3.873 40 0 GHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257227700 570764239 /nfs/dbraw/zinc/76/42/39/570764239.db2.gz FQMSQDPUDWOMMW-IBGZPJMESA-N 1 0 399.510 3.987 40 0 GHABRO O=C(Nc1cccc(OCC[NH+]2CCCC2)c1)c1n[nH]c2c1CCCCCC2 ZINC000257230416 570765211 /nfs/dbraw/zinc/76/52/11/570765211.db2.gz GCFHHZFNVQKZJW-UHFFFAOYSA-N 1 0 382.508 3.796 40 0 GHABRO COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)c1OCC[NH+](C)C ZINC000257230390 570765300 /nfs/dbraw/zinc/76/53/00/570765300.db2.gz GCDBJBDHRVCEQM-UJEQOSBCSA-N 1 0 389.536 3.510 40 0 GHABRO CC1CC[NH+](CCCNC(=O)CSCc2ccc(Br)cc2)CC1 ZINC000013670866 570770478 /nfs/dbraw/zinc/77/04/78/570770478.db2.gz LUDWRHBXTJUMCB-UHFFFAOYSA-N 1 0 399.398 3.921 40 0 GHABRO Cn1ccnc1C(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000257263030 570772134 /nfs/dbraw/zinc/77/21/34/570772134.db2.gz LOBWBWNFDKSKHG-QTEQDKRBSA-N 1 0 380.536 3.510 40 0 GHABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000257300103 570778157 /nfs/dbraw/zinc/77/81/57/570778157.db2.gz RSXWEOHXOGUSRO-QRXQEZHUSA-N 1 0 383.467 3.958 40 0 GHABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2ccccc2F)no1 ZINC000257333066 570782847 /nfs/dbraw/zinc/78/28/47/570782847.db2.gz XZZKKWLSDYRTGD-COWZOJLOSA-N 1 0 383.467 3.958 40 0 GHABRO Cc1cc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c(C)s1 ZINC000072340529 570880999 /nfs/dbraw/zinc/88/09/99/570880999.db2.gz JEQZFBFHNAGGQO-NRFANRHFSA-N 1 0 396.560 3.502 40 0 GHABRO COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257340297 570910072 /nfs/dbraw/zinc/91/00/72/570910072.db2.gz ZFKFRZUOEWGLBT-STXHMFSFSA-N 1 0 387.911 3.980 40 0 GHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccsc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306139066 570943860 /nfs/dbraw/zinc/94/38/60/570943860.db2.gz SOJBMFGFNBFBSR-UGKGYDQZSA-N 1 0 398.576 3.754 40 0 GHABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(COc3ccc4c(c3)CCC4)o1)C2 ZINC000002790326 570951301 /nfs/dbraw/zinc/95/13/01/570951301.db2.gz LBJLHYKZEUQJPY-YQQQUEKLSA-N 1 0 380.488 3.702 40 0 GHABRO Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019220398 570962835 /nfs/dbraw/zinc/96/28/35/570962835.db2.gz LXJHGWZNDAPBDV-IBGZPJMESA-N 1 0 390.487 3.805 40 0 GHABRO Cc1ccn(C[C@H](C)C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)n1 ZINC000019238003 570967315 /nfs/dbraw/zinc/96/73/15/570967315.db2.gz RGCTZDGGAQRDOD-IITNATTFSA-N 1 0 394.563 3.697 40 0 GHABRO Cn1ccnc1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019291185 570971975 /nfs/dbraw/zinc/97/19/75/570971975.db2.gz HISDHZJSKBUWOC-NHCUHLMSSA-N 1 0 392.478 3.602 40 0 GHABRO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](CC1(c3ccc(Cl)cc3)CC1)C2 ZINC000019332793 570975560 /nfs/dbraw/zinc/97/55/60/570975560.db2.gz JUXYSFSZEOBKOX-UHFFFAOYSA-N 1 0 392.890 3.575 40 0 GHABRO O=C(NC1CC[NH+](Cc2c3cccnc3[nH]c2C(F)(F)F)CC1)C1CCCC1 ZINC000019345111 570977755 /nfs/dbraw/zinc/97/77/55/570977755.db2.gz IPCLZHYJXMPYFZ-UHFFFAOYSA-N 1 0 394.441 3.853 40 0 GHABRO NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2ccccc2F)C1 ZINC000019348796 570978815 /nfs/dbraw/zinc/97/88/15/570978815.db2.gz IAPXTUTVHIBBRP-DEOSSOPVSA-N 1 0 389.474 3.808 40 0 GHABRO O=S(=O)(c1ccc(F)cc1)N1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019373900 570981592 /nfs/dbraw/zinc/98/15/92/570981592.db2.gz MEQOSOGHKBTHKO-NJDAHSKKSA-N 1 0 388.508 3.515 40 0 GHABRO CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)on1 ZINC000019452773 570986340 /nfs/dbraw/zinc/98/63/40/570986340.db2.gz HNBHDRFHCIZPLR-UHFFFAOYSA-N 1 0 383.492 3.734 40 0 GHABRO CCCN1CC[N@H+](CC2CC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503262 570993651 /nfs/dbraw/zinc/99/36/51/570993651.db2.gz ISJFPIHINTYKGV-JOCHJYFZSA-N 1 0 377.532 3.872 40 0 GHABRO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C3CC[NH+](CC)CC3)cc2n1 ZINC000019522326 570994969 /nfs/dbraw/zinc/99/49/69/570994969.db2.gz PYAUCOOZRYPAFA-KRWDZBQOSA-N 1 0 395.473 3.932 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 ZINC000019555468 571003066 /nfs/dbraw/zinc/00/30/66/571003066.db2.gz QQBRVPVKHYYFLI-FKBYEOEOSA-N 1 0 396.556 3.983 40 0 GHABRO Cc1c(C[NH+]2CCC(O)(Cn3cnc4ccccc43)CC2)[nH]c2ccc(F)cc12 ZINC000019565446 571007465 /nfs/dbraw/zinc/00/74/65/571007465.db2.gz PGBZAIYQRNXWMD-UHFFFAOYSA-N 1 0 392.478 3.992 40 0 GHABRO COc1ccc(OC)c(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1 ZINC000019589278 571016320 /nfs/dbraw/zinc/01/63/20/571016320.db2.gz UCFMSTLEKCDDBY-MQSCRBSSSA-N 1 0 384.495 3.905 40 0 GHABRO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](CCc2ccccc2)C1 ZINC000019591658 571019245 /nfs/dbraw/zinc/01/92/45/571019245.db2.gz PKAWLHNPLMORFL-AREMUKBSSA-N 1 0 399.538 3.972 40 0 GHABRO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)C2CCCC2)n1 ZINC000019697374 571030437 /nfs/dbraw/zinc/03/04/37/571030437.db2.gz VWDMOOHQBJTBOO-OAHLLOKOSA-N 1 0 397.498 3.552 40 0 GHABRO Cc1ccc(C2(C(=O)N(C)Cc3cc([C@@H]4CCC[NH2+]C4)nn3C)CCCC2)cc1 ZINC000019709154 571033717 /nfs/dbraw/zinc/03/37/17/571033717.db2.gz YOPOZJHPSTWINE-LJQANCHMSA-N 1 0 394.563 3.666 40 0 GHABRO Fc1cccc(-c2ccc(CN3CCC[C@@H]3c3nnc4n3CC[NH2+]CC4)cc2)c1 ZINC000019710754 571034462 /nfs/dbraw/zinc/03/44/62/571034462.db2.gz UHUVCMXRFZSHON-OAQYLSRUSA-N 1 0 391.494 3.567 40 0 GHABRO Cn1c2ccc(Cl)cc2nc1CCCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019714228 571035548 /nfs/dbraw/zinc/03/55/48/571035548.db2.gz PSFMFFABHODOLQ-KRWDZBQOSA-N 1 0 388.943 3.636 40 0 GHABRO C[C@@H]1CCCC[N@@H+]1[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1 ZINC000019496324 856421737 /nfs/dbraw/zinc/42/17/37/856421737.db2.gz LDIYXNVMTYBEDU-VWKPWSFCSA-N 1 0 393.487 3.960 40 0 GHABRO CNc1ncccc1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000019713829 856428219 /nfs/dbraw/zinc/42/82/19/856428219.db2.gz VUJZSGRQSGMKFF-RTWAWAEBSA-N 1 0 396.510 3.808 40 0 GHABRO Fc1ccc(-c2cccc(CN3CCC[C@@H]3c3nnc4n3CCNC4)c2)cc1 ZINC000019705542 860326261 /nfs/dbraw/zinc/32/62/61/860326261.db2.gz OGNHITXKIAODMM-HXUWFJFHSA-N 1 0 377.467 3.525 40 0 GHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)n1 ZINC000328965692 231046525 /nfs/dbraw/zinc/04/65/25/231046525.db2.gz CFISWKAOTQAXRV-UHFFFAOYSA-N 1 0 381.446 3.932 40 0 GHABRO Cc1cccc(C(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n1 ZINC000257213221 222755392 /nfs/dbraw/zinc/75/53/92/222755392.db2.gz CGQZSNDCMSCFBJ-CHSSDKTLSA-N 1 0 375.516 3.746 40 0 GHABRO Cc1ncsc1-c1ccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)cn1 ZINC000257283393 222770285 /nfs/dbraw/zinc/77/02/85/222770285.db2.gz OYCRLLZYQDNLJG-CQSHLORDSA-N 1 0 382.533 3.649 40 0 GHABRO CC[NH+](CC)CCNc1cc(C)nc(NC(=N)Nc2ccc(Cl)cc2)n1 ZINC000001686968 212254046 /nfs/dbraw/zinc/25/40/46/212254046.db2.gz JWBWVGDXXKLUEJ-UHFFFAOYSA-N 1 0 375.908 3.651 40 0 GHABRO C[NH+](C)CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(F)cc2)n1 ZINC000028426723 212109041 /nfs/dbraw/zinc/10/90/41/212109041.db2.gz QCGXHPGFCBTGMF-UHFFFAOYSA-N 1 0 391.454 3.672 40 0 GHABRO C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)n1 ZINC000328979234 212091740 /nfs/dbraw/zinc/09/17/40/212091740.db2.gz GFLCGURUDTVFBB-UHFFFAOYSA-N 1 0 380.323 3.612 40 0 GHABRO C[C@H]1CCC[C@H]([N@@H+]2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]2C)C1 ZINC000010587784 212078368 /nfs/dbraw/zinc/07/83/68/212078368.db2.gz SNIZDVPEJYDTHR-BJLQDIEVSA-N 1 0 390.535 3.905 40 0 GHABRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@H+](Cc3ccncc3)[C@H]2C1 ZINC000012144166 221159289 /nfs/dbraw/zinc/15/92/89/221159289.db2.gz GMVHIAYHFAFPPC-MJGOQNOKSA-N 1 0 389.421 3.837 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3noc(-c4cnccn4)n3)CC2)c(C)c1C ZINC000012337350 221183990 /nfs/dbraw/zinc/18/39/90/221183990.db2.gz KPESWAMEALJHKM-UHFFFAOYSA-N 1 0 379.464 3.532 40 0 GHABRO C[C@@H]1CCCC[N@@H+]1CCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000012239918 221171502 /nfs/dbraw/zinc/17/15/02/221171502.db2.gz MIMORLAVLJDNHO-OAHLLOKOSA-N 1 0 380.521 3.948 40 0 GHABRO COc1ccc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000012667119 221218058 /nfs/dbraw/zinc/21/80/58/221218058.db2.gz PZFMJYZYYRUCOU-UHFFFAOYSA-N 1 0 390.443 3.570 40 0 GHABRO COc1cc2ccccc2cc1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000018217554 221389698 /nfs/dbraw/zinc/38/96/98/221389698.db2.gz NBXVJUDEYPABFU-UHFFFAOYSA-N 1 0 390.483 3.611 40 0 GHABRO CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C/C(C)=C/c1ccccc1)C2 ZINC000019014429 221393489 /nfs/dbraw/zinc/39/34/89/221393489.db2.gz JFTDXAHMHZMPTE-BRBKRDGESA-N 1 0 376.504 3.622 40 0 GHABRO CC(=O)N1CCc2cc(NC(=O)c3ccc(C[NH+]4CCCCCC4)o3)ccc21 ZINC000019019235 221395479 /nfs/dbraw/zinc/39/54/79/221395479.db2.gz QNRGTFYSWOMRDZ-UHFFFAOYSA-N 1 0 381.476 3.817 40 0 GHABRO Cc1cccc(O[C@@H](C)c2nnc(NC(=O)[C@H]3C[NH+]4CCC3CC4)s2)c1C ZINC000019235682 221402019 /nfs/dbraw/zinc/40/20/19/221402019.db2.gz XPZRZGNRYNRLQG-HOCLYGCPSA-N 1 0 386.521 3.575 40 0 GHABRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1Cn1cccn1 ZINC000019719186 221446737 /nfs/dbraw/zinc/44/67/37/221446737.db2.gz HTDJXTRSOGSXKF-UHFFFAOYSA-N 1 0 380.536 3.850 40 0 GHABRO CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)NCCC[NH3+] ZINC000038337261 221879048 /nfs/dbraw/zinc/87/90/48/221879048.db2.gz OIKPVPQZNCNDHN-IKJWWRMISA-N 1 0 392.584 3.539 40 0 in-vitro GHABRO Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000045866237 221963855 /nfs/dbraw/zinc/96/38/55/221963855.db2.gz ITVBQNJYHOYASU-UHFFFAOYSA-N 1 0 376.497 3.599 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(C)=O)c3nccs3)C2)c(C)c1C ZINC000072337758 222229915 /nfs/dbraw/zinc/22/99/15/222229915.db2.gz WSDOETBFBXMGLM-ICSRJNTNSA-N 1 0 387.549 3.858 40 0 GHABRO COc1ccc(-c2cccc([C@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)n2)cc1 ZINC000072350384 222238529 /nfs/dbraw/zinc/23/85/29/222238529.db2.gz UVZGSISLJQKLJC-FQEVSTJZSA-N 1 0 393.531 3.805 40 0 GHABRO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000072358195 222239537 /nfs/dbraw/zinc/23/95/37/222239537.db2.gz JSXONVDHPOOIAL-QHCPKHFHSA-N 1 0 393.531 3.829 40 0 GHABRO CCn1cc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)c(C)n1 ZINC000072371595 222243205 /nfs/dbraw/zinc/24/32/05/222243205.db2.gz AZFFEZJLIRQADH-KRWDZBQOSA-N 1 0 397.498 3.685 40 0 GHABRO Cc1nc([C@@H]2CCC[N@@H+](C(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000072371924 222243374 /nfs/dbraw/zinc/24/33/74/222243374.db2.gz OGQNZTIQRQBDAS-GOSISDBHSA-N 1 0 396.510 3.644 40 0 GHABRO Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)n1 ZINC000072384487 222247498 /nfs/dbraw/zinc/24/74/98/222247498.db2.gz BSWMBKKOFKSMFT-GOSISDBHSA-N 1 0 398.482 3.722 40 0 GHABRO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C2CCCC2)C1 ZINC000072395912 222252602 /nfs/dbraw/zinc/25/26/02/222252602.db2.gz GIKDJHUXVJZXAY-QHCPKHFHSA-N 1 0 381.520 3.997 40 0 GHABRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642487 222271502 /nfs/dbraw/zinc/27/15/02/222271502.db2.gz JKYWWZJXJIWNEG-LLVKDONJSA-N 1 0 378.259 3.809 40 0 GHABRO O=C(CC1CCC2(CC1)CC[NH+](Cc1cccs1)CC2)N1CCOCC1 ZINC000096049287 222374808 /nfs/dbraw/zinc/37/48/08/222374808.db2.gz DJSPFZUZIHUZMX-UHFFFAOYSA-N 1 0 376.566 3.769 40 0 GHABRO O=C(c1ccncc1)N1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2C1 ZINC000096245557 222403442 /nfs/dbraw/zinc/40/34/42/222403442.db2.gz ZZHAEMLSMFOZCD-ZEQRLZLVSA-N 1 0 383.495 3.953 40 0 GHABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3C)n2)cn1 ZINC000035425451 560080322 /nfs/dbraw/zinc/08/03/22/560080322.db2.gz DDONKQQNUFZWJL-IBGZPJMESA-N 1 0 394.475 3.802 40 0 biogenic,in-vitro GHABRO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](Cc4ccccc4C)C3)nc2c1 ZINC000049169138 560084774 /nfs/dbraw/zinc/08/47/74/560084774.db2.gz BIIRAKVSZHORBY-KRWDZBQOSA-N 1 0 384.501 3.919 40 0 biogenic,in-vitro GHABRO Clc1ccc2ncc(-c3cccc(C[C@@H]4CC5(CO4)CC[NH2+]CC5)n3)n2c1 ZINC000585263134 570231672 /nfs/dbraw/zinc/23/16/72/570231672.db2.gz OFTHLBKHXQQVMQ-QGZVFWFLSA-N 1 0 382.895 3.751 40 0 GHABRO CCOc1ccc(CCC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OCC ZINC000020106036 570240087 /nfs/dbraw/zinc/24/00/87/570240087.db2.gz KRCUUUHLNVIZCE-OALUTQOASA-N 1 0 390.568 3.901 40 0 GHABRO Cc1ccc2[nH]c(=O)c(C[NH2+]C[C@H](O)COc3ccc(Cl)c(C)c3)cc2c1 ZINC000585292685 570260652 /nfs/dbraw/zinc/26/06/52/570260652.db2.gz NGWLJAFHAWLVAV-KRWDZBQOSA-N 1 0 386.879 3.740 40 0 GHABRO Cc1ccc2cc(C[NH2+]C[C@H](O)COc3ccc(Cl)c(C)c3)c(=O)[nH]c2c1 ZINC000585292864 570262838 /nfs/dbraw/zinc/26/28/38/570262838.db2.gz PEYXTSRYEISYKB-KRWDZBQOSA-N 1 0 386.879 3.740 40 0 GHABRO CCOc1cc2c(cc1CN(Cc1cccnc1)C[C@@H]1CCC[N@@H+]1CC)OCO2 ZINC000022931843 570379936 /nfs/dbraw/zinc/37/99/36/570379936.db2.gz AMYOEPRPWOAHSV-FQEVSTJZSA-N 1 0 397.519 3.696 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000223211299 570450261 /nfs/dbraw/zinc/45/02/61/570450261.db2.gz IEIBHNQFCJPTHB-HOTGVXAUSA-N 1 0 380.970 3.721 40 0 GHABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCc2ccccc2)CC1 ZINC000257286203 570488524 /nfs/dbraw/zinc/48/85/24/570488524.db2.gz PKSHOCYGWNCMNX-XMMPIXPASA-N 1 0 396.531 3.561 40 0 GHABRO O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224672387 570523969 /nfs/dbraw/zinc/52/39/69/570523969.db2.gz RNABYNOKPIFSPR-UHFFFAOYSA-N 1 0 392.952 3.946 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000225582812 570590880 /nfs/dbraw/zinc/59/08/80/570590880.db2.gz ISMZVISAWRHTTN-SFHVURJKSA-N 1 0 377.554 3.804 40 0 GHABRO COc1cccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044906848 570641987 /nfs/dbraw/zinc/64/19/87/570641987.db2.gz LMJKEEQFSOORRJ-FQEVSTJZSA-N 1 0 384.495 3.795 40 0 GHABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000004968991 570655164 /nfs/dbraw/zinc/65/51/64/570655164.db2.gz ADPWUUQKJOZHKM-UHFFFAOYSA-N 1 0 391.559 3.843 40 0 GHABRO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1 ZINC000008215748 570765537 /nfs/dbraw/zinc/76/55/37/570765537.db2.gz CTHLRUQQXXRQMW-JOCHJYFZSA-N 1 0 383.451 3.785 40 0 GHABRO Cn1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@@H]2Cc1ccccc1 ZINC000257271100 570773600 /nfs/dbraw/zinc/77/36/00/570773600.db2.gz MWVZUWCCLIDRMA-CFKFVRPNSA-N 1 0 392.547 3.509 40 0 GHABRO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@H+](Cc3ccccc3C)C2)nc1C ZINC000257285089 570775423 /nfs/dbraw/zinc/77/54/23/570775423.db2.gz PFPNZPNCVHYGJJ-NRFANRHFSA-N 1 0 394.563 3.802 40 0 GHABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)c3ccc(N)nc3)C2)[nH+]1 ZINC000257311594 570780041 /nfs/dbraw/zinc/78/00/41/570780041.db2.gz UKGIMVUNQJAFBP-MRXNPFEDSA-N 1 0 391.450 3.880 40 0 GHABRO Cc1ncsc1-c1ccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)cn1 ZINC000257314642 570780502 /nfs/dbraw/zinc/78/05/02/570780502.db2.gz UXVWUBIJEYLSMJ-YNFBMLRVSA-N 1 0 396.560 3.991 40 0 GHABRO O=C(c1cccn2cc(-c3ccc(F)cc3)nc12)N1CC[NH+](C2CCCC2)CC1 ZINC000257317426 570780831 /nfs/dbraw/zinc/78/08/31/570780831.db2.gz VJRUWTKYSKQCBT-UHFFFAOYSA-N 1 0 392.478 3.841 40 0 GHABRO CO[C@H]1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@]12CCCO2 ZINC000257342950 570784685 /nfs/dbraw/zinc/78/46/85/570784685.db2.gz ZQSPALMKDWGTAN-JTHBVZDNSA-N 1 0 396.487 3.687 40 0 GHABRO CCOc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000257342746 570910457 /nfs/dbraw/zinc/91/04/57/570910457.db2.gz ZPZSEXJIEPZFSB-DNVFCKCGSA-N 1 0 381.520 3.645 40 0 GHABRO COCC[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585102379 570930481 /nfs/dbraw/zinc/93/04/81/570930481.db2.gz YQZMBEARIVVZER-HSZRJFAPSA-N 1 0 380.488 3.806 40 0 GHABRO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@H+](CCC(C)(C)C)CCO2 ZINC000306127660 570937447 /nfs/dbraw/zinc/93/74/47/570937447.db2.gz GEFSAOIXOFACBJ-UZLBHIALSA-N 1 0 379.570 3.631 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306143349 570946588 /nfs/dbraw/zinc/94/65/88/570946588.db2.gz XZZHCGVZBOQQTL-FQEVSTJZSA-N 1 0 385.471 3.789 40 0 GHABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccnc(N3CCCC3)n2)s1 ZINC000019217156 570961894 /nfs/dbraw/zinc/96/18/94/570961894.db2.gz MRFCEWZOKBMODR-UHFFFAOYSA-N 1 0 396.564 3.736 40 0 GHABRO Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019236741 570967070 /nfs/dbraw/zinc/96/70/70/570967070.db2.gz MPSHUDMLFFDZLS-IBGZPJMESA-N 1 0 390.487 3.805 40 0 GHABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000019291396 570972358 /nfs/dbraw/zinc/97/23/58/570972358.db2.gz RVWOYEDKEBVXTC-VXMMSVGHSA-N 1 0 395.547 3.861 40 0 GHABRO NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000019331728 570975105 /nfs/dbraw/zinc/97/51/05/570975105.db2.gz QOXLOYDUONXELB-XMMPIXPASA-N 1 0 389.474 3.808 40 0 GHABRO CC1CC[NH+](Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000019496919 570989828 /nfs/dbraw/zinc/98/98/28/570989828.db2.gz ZZMSVUSBMLXAMT-UHFFFAOYSA-N 1 0 395.551 3.696 40 0 GHABRO CCOC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CC[NH+](CC2CC2)CC1 ZINC000019530189 570998795 /nfs/dbraw/zinc/99/87/95/570998795.db2.gz YFQABOLDNNXYNL-IBGZPJMESA-N 1 0 388.483 3.764 40 0 GHABRO COc1cc(C)c(C[NH2+][C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)cc1C ZINC000019567393 571008796 /nfs/dbraw/zinc/00/87/96/571008796.db2.gz OSSDYXTUNFLIGT-NRFANRHFSA-N 1 0 395.478 3.916 40 0 GHABRO Cc1nn(Cc2ccccc2)c(C)c1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000019578314 571012275 /nfs/dbraw/zinc/01/22/75/571012275.db2.gz VMEVBWWRZVOUKE-UHFFFAOYSA-N 1 0 377.536 3.507 40 0 GHABRO COc1ccc(OC)c(CN2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)c1 ZINC000019588416 571016712 /nfs/dbraw/zinc/01/67/12/571016712.db2.gz RSOKPZBCSIKEOJ-UHFFFAOYSA-N 1 0 382.504 3.563 40 0 GHABRO CN1CC[N@H+](Cc2cccnc2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019589483 571017077 /nfs/dbraw/zinc/01/70/77/571017077.db2.gz UCBMCBINWADIHK-OAQYLSRUSA-N 1 0 391.540 3.943 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)cn1 ZINC000019687452 571028768 /nfs/dbraw/zinc/02/87/68/571028768.db2.gz GTXROYOZMKXYSH-FQEVSTJZSA-N 1 0 376.508 3.763 40 0 GHABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cn1 ZINC000019689959 571029045 /nfs/dbraw/zinc/02/90/45/571029045.db2.gz HHPJGARXYWVPMU-HXUWFJFHSA-N 1 0 394.498 3.902 40 0 GHABRO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063536 856409859 /nfs/dbraw/zinc/40/98/59/856409859.db2.gz HLJLWKAPHPOATB-UHFFFAOYSA-N 1 0 397.494 3.816 40 0 GHABRO CCN(C(=O)c1ccccn1)[C@H]1C[C@@H](c2ccccc2)OC2(CC[NH+](C)CC2)C1 ZINC000019712637 856425663 /nfs/dbraw/zinc/42/56/63/856425663.db2.gz WGNKCOXQELRGEP-UNMCSNQZSA-N 1 0 393.531 3.928 40 0 GHABRO O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 ZINC000022408807 861112909 /nfs/dbraw/zinc/11/29/09/861112909.db2.gz JLFDEKIBQJZANC-JOCHJYFZSA-N 1 0 399.898 3.762 40 0 GHABRO O=C(C1CC1)N1CCCc2cc([C@H](O)C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)ccc21 ZINC000247757058 880061252 /nfs/dbraw/zinc/06/12/52/880061252.db2.gz FCLGTCLZAQCHJG-FRGLQRNOSA-N 1 0 382.548 3.921 40 0 GHABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218515874 895769029 /nfs/dbraw/zinc/76/90/29/895769029.db2.gz KFKQMMJQLBWYJP-SLFFLAALSA-N 1 0 393.936 3.570 40 0 GHABRO O=C(COc1cccc(C(F)(F)F)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224642103 222659675 /nfs/dbraw/zinc/65/96/75/222659675.db2.gz ZDCDKZRHTZJZJW-UHFFFAOYSA-N 1 0 392.421 3.996 40 0 GHABRO CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)COc1cccc2cc[nH]c21 ZINC000299888250 222793186 /nfs/dbraw/zinc/79/31/86/222793186.db2.gz BMFRSTMTAZXLSY-GOSISDBHSA-N 1 0 377.488 4.000 40 0 GHABRO C[C@@H]1CCC[C@H]([N@@H+]2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]2C)C1 ZINC000010587780 212078028 /nfs/dbraw/zinc/07/80/28/212078028.db2.gz SNIZDVPEJYDTHR-HBFSDRIKSA-N 1 0 390.535 3.905 40 0 GHABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccc(F)cc1 ZINC000008497874 221043475 /nfs/dbraw/zinc/04/34/75/221043475.db2.gz DTXSGTKVGOTQFY-LBPRGKRZSA-N 1 0 398.272 3.646 40 0 GHABRO O[C@H](C[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000012292398 221176559 /nfs/dbraw/zinc/17/65/59/221176559.db2.gz FWPZENMRERMHEC-GOSISDBHSA-N 1 0 383.385 3.862 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330195 221182078 /nfs/dbraw/zinc/18/20/78/221182078.db2.gz AKXALPNEXAIYSV-YADHBBJMSA-N 1 0 397.490 3.699 40 0 GHABRO COCCn1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012328352 221182241 /nfs/dbraw/zinc/18/22/41/221182241.db2.gz CFCGFQYVNJZDFK-UHFFFAOYSA-N 1 0 394.515 3.780 40 0 GHABRO CCOCc1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)ccc1OC ZINC000012328372 221183038 /nfs/dbraw/zinc/18/30/38/221183038.db2.gz YVOMZFQVCVBEAI-UHFFFAOYSA-N 1 0 385.504 3.724 40 0 GHABRO CCC[N@H+]1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000012364776 221184851 /nfs/dbraw/zinc/18/48/51/221184851.db2.gz VVVGUGXENQSCBI-JTHBVZDNSA-N 1 0 391.515 3.713 40 0 GHABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c2c1cccc2C ZINC000012238270 221171640 /nfs/dbraw/zinc/17/16/40/221171640.db2.gz GVNMLTFUIOIZJR-UHFFFAOYSA-N 1 0 393.531 3.926 40 0 GHABRO Cc1nn(C[C@H](C)C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c(C)c1Cl ZINC000019578150 221430768 /nfs/dbraw/zinc/43/07/68/221430768.db2.gz AFDRAOUHPXXHOV-YJBOKZPZSA-N 1 0 380.964 3.656 40 0 GHABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](CC(C)C)CC2)cc1 ZINC000019758642 221452763 /nfs/dbraw/zinc/45/27/63/221452763.db2.gz UADGCMSZKPUKRS-UHFFFAOYSA-N 1 0 384.524 3.592 40 0 GHABRO CC(C)[N@@H+]1CC[C@H](CCc2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)[C@H](C)C1 ZINC000072335293 222230001 /nfs/dbraw/zinc/23/00/01/222230001.db2.gz DVWOIZTWUADTDU-AEFFLSMTSA-N 1 0 382.508 3.734 40 0 GHABRO Cc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)n1C1CC1 ZINC000072339860 222230157 /nfs/dbraw/zinc/23/01/57/222230157.db2.gz FRGIBFINAFRSMC-UHFFFAOYSA-N 1 0 375.476 3.556 40 0 GHABRO CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072348762 222234949 /nfs/dbraw/zinc/23/49/49/222234949.db2.gz HCXWMSRQPHEAIE-UHFFFAOYSA-N 1 0 383.511 3.859 40 0 GHABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349731 222236766 /nfs/dbraw/zinc/23/67/66/222236766.db2.gz GDNKPXBHCKTNTH-IBGZPJMESA-N 1 0 381.495 3.613 40 0 GHABRO Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C3CC[NH+](C)CC3)n2)cc1 ZINC000072358276 222238871 /nfs/dbraw/zinc/23/88/71/222238871.db2.gz PUKWVKDLDKMYRY-QHCPKHFHSA-N 1 0 377.532 3.986 40 0 GHABRO Fc1ccc(-c2cccc(CN3CCn4c(nnc4C4CC[NH2+]CC4)C3)c2)cc1 ZINC000072372124 222243020 /nfs/dbraw/zinc/24/30/20/222243020.db2.gz ALYNCGTVJRKBMK-UHFFFAOYSA-N 1 0 391.494 3.567 40 0 GHABRO Fc1ccc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cc1 ZINC000096037102 222372884 /nfs/dbraw/zinc/37/28/84/222372884.db2.gz XUUUTZSTFUAKSU-UHFFFAOYSA-N 1 0 376.479 3.784 40 0 GHABRO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096056027 222375364 /nfs/dbraw/zinc/37/53/64/222375364.db2.gz TVROTAJGQQKFOO-RXVVDRJESA-N 1 0 388.533 3.618 40 0 GHABRO O=C(CCc1cccnc1)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071081 222376758 /nfs/dbraw/zinc/37/67/58/222376758.db2.gz OZRDNHUEBVJCAO-QFIPXVFZSA-N 1 0 383.923 3.935 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CN(c4ccc5c(c4)OCO5)C3=O)CC2)cc1C ZINC000096202979 222397823 /nfs/dbraw/zinc/39/78/23/222397823.db2.gz SHQRTFGPAJVKSG-UHFFFAOYSA-N 1 0 378.472 3.661 40 0 GHABRO COc1ccc(-c2cc3nc4c(c(NCC(C)(C)C[NH+](C)C)n3n2)CCC4)cc1 ZINC000004980252 518142809 /nfs/dbraw/zinc/14/28/09/518142809.db2.gz VFQUJSXNZQCLNM-UHFFFAOYSA-N 1 0 393.535 3.893 40 0 GHABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113951805 535817730 /nfs/dbraw/zinc/81/77/30/535817730.db2.gz MPGATPNFHOYLLJ-OAQYLSRUSA-N 1 0 381.520 3.851 40 0 GHABRO C[NH+]1CCN(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1 ZINC000111893024 536422686 /nfs/dbraw/zinc/42/26/86/536422686.db2.gz PINZGPJUMPXBMT-UHFFFAOYSA-N 1 0 387.911 3.890 40 0 GHABRO O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1C[NH2+]C1CCCCC1 ZINC000077262572 560046512 /nfs/dbraw/zinc/04/65/12/560046512.db2.gz VMOFHNAKWBFBOR-JAXLGGSGSA-N 1 0 388.483 3.854 40 0 biogenic,in-vitro GHABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccccc2)n1 ZINC000329010777 570212128 /nfs/dbraw/zinc/21/21/28/570212128.db2.gz MBNPYNOHZKMJBZ-UHFFFAOYSA-N 1 0 399.901 3.887 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)Cc4ccsc4)C3)C2)c1 ZINC000012476062 570233120 /nfs/dbraw/zinc/23/31/20/570233120.db2.gz RJBCUWOCQGBJNU-JOCHJYFZSA-N 1 0 384.545 3.814 40 0 GHABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000020485625 570262126 /nfs/dbraw/zinc/26/21/26/570262126.db2.gz JLCVDBDGCJKGHI-UHFFFAOYSA-N 1 0 391.559 3.877 40 0 GHABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216466 570317476 /nfs/dbraw/zinc/31/74/76/570317476.db2.gz ZRJYWSBOHHBXKS-IBGZPJMESA-N 1 0 388.556 3.932 40 0 GHABRO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1 ZINC000025224514 570413711 /nfs/dbraw/zinc/41/37/11/570413711.db2.gz CTHLRUQQXXRQMW-QFIPXVFZSA-N 1 0 383.451 3.785 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000223220606 570450505 /nfs/dbraw/zinc/45/05/05/570450505.db2.gz MVYRFMALIVAWMH-RTBURBONSA-N 1 0 385.581 3.562 40 0 GHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1(c2ccccc2)CCOCC1 ZINC000032799840 570513947 /nfs/dbraw/zinc/51/39/47/570513947.db2.gz KLVMIXZNWULRET-UHFFFAOYSA-N 1 0 378.516 3.647 40 0 GHABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000224553493 570518069 /nfs/dbraw/zinc/51/80/69/570518069.db2.gz DVELTNDMLSDSGP-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO COc1cc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc(OC)c1OC ZINC000224646451 570522494 /nfs/dbraw/zinc/52/24/94/570522494.db2.gz UDZQUSHFTPQGOE-UHFFFAOYSA-N 1 0 398.503 3.628 40 0 GHABRO O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000224779642 570530327 /nfs/dbraw/zinc/53/03/27/570530327.db2.gz HHQXCFDSJSLNER-UHFFFAOYSA-N 1 0 378.925 3.555 40 0 GHABRO COC(=O)c1cc(NC(=S)NCCC[NH+]2CCCCCC2)ccc1Cl ZINC000225400273 570569772 /nfs/dbraw/zinc/56/97/72/570569772.db2.gz ZXPPREAXCBKXLJ-UHFFFAOYSA-N 1 0 383.945 3.679 40 0 GHABRO Cc1cc(NC(=S)NCCC[NH+]2CCCCCC2)ccc1N1CCCC1=O ZINC000225401253 570570115 /nfs/dbraw/zinc/57/01/15/570570115.db2.gz RLMSYSPKEUHTGR-UHFFFAOYSA-N 1 0 388.581 3.674 40 0 GHABRO COC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038835120 570586721 /nfs/dbraw/zinc/58/67/21/570586721.db2.gz SZSLRPJJTNNHTJ-KRWDZBQOSA-N 1 0 386.879 3.977 40 0 GHABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038836001 570587223 /nfs/dbraw/zinc/58/72/23/570587223.db2.gz JQSNBBMNUKYISB-FQEVSTJZSA-N 1 0 397.950 3.901 40 0 GHABRO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038853684 570588493 /nfs/dbraw/zinc/58/84/93/570588493.db2.gz JXDRVOSZGMXRFX-INIZCTEOSA-N 1 0 386.879 3.962 40 0 GHABRO COc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000055012190 570678902 /nfs/dbraw/zinc/67/89/02/570678902.db2.gz SDVQZTHZPOVSJA-INIZCTEOSA-N 1 0 385.533 3.566 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCCC[C@H]2CC)c1 ZINC000260735452 570701685 /nfs/dbraw/zinc/70/16/85/570701685.db2.gz ISMZVISAWRHTTN-GOSISDBHSA-N 1 0 377.554 3.804 40 0 GHABRO Fc1cccc(-c2cnc(Nc3cc(C[C@H]4C[NH2+]CCOC4)ccn3)s2)c1 ZINC000585263279 570715656 /nfs/dbraw/zinc/71/56/56/570715656.db2.gz UWIAGEDQQWZFDD-HNNXBMFYSA-N 1 0 384.480 3.866 40 0 GHABRO Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccco4)[C@@H]3C2)c1 ZINC000248116019 570721081 /nfs/dbraw/zinc/72/10/81/570721081.db2.gz LMMGCAKKQWYAKJ-IOMROCGXSA-N 1 0 388.533 3.509 40 0 GHABRO Cc1ccc(Cc2cc(C)nc([C@@H]3CN(Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000257201799 570760132 /nfs/dbraw/zinc/76/01/32/570760132.db2.gz AJBZCCMGGRJIJC-QHCPKHFHSA-N 1 0 376.504 3.596 40 0 GHABRO Cc1cnc(C[N@@H+](C)[C@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)cn1 ZINC000257237985 570767440 /nfs/dbraw/zinc/76/74/40/570767440.db2.gz HJCFUSYYMVUUEM-PJKILVJMSA-N 1 0 395.547 3.852 40 0 GHABRO Cc1cccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@H]3Cc2ccccc2)n1 ZINC000257273070 570773998 /nfs/dbraw/zinc/77/39/98/570773998.db2.gz NFDFTNSMSZCLTA-QMDPOKHVSA-N 1 0 375.516 3.746 40 0 GHABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cccc(Cc2ccccc2F)n1 ZINC000257277312 570774473 /nfs/dbraw/zinc/77/44/73/570774473.db2.gz NXLBABOSSXHJBF-STCFVSJZSA-N 1 0 393.506 3.947 40 0 GHABRO C[N@@H+]1CCN(C(=O)CCC2CCCC2)C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257333745 570783420 /nfs/dbraw/zinc/78/34/20/570783420.db2.gz YCXJNYKGJPCBAE-IBGZPJMESA-N 1 0 380.536 3.533 40 0 GHABRO COc1cccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccs3)CC2)c1 ZINC000072340482 570880384 /nfs/dbraw/zinc/88/03/84/570880384.db2.gz SGIRCWQEPNUCDU-OAQYLSRUSA-N 1 0 395.528 3.556 40 0 GHABRO Cc1cccc(C[NH+]2CCC3(CC2)c2ccccc2N(CC(C)C)S3(=O)=O)n1 ZINC000306123563 570935866 /nfs/dbraw/zinc/93/58/66/570935866.db2.gz AQHTVFQBFRWRTD-UHFFFAOYSA-N 1 0 399.560 3.687 40 0 GHABRO Cc1ccsc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306137341 570943310 /nfs/dbraw/zinc/94/33/10/570943310.db2.gz QTQIYUJCZZTEEP-ROUUACIJSA-N 1 0 398.557 3.704 40 0 GHABRO c1c([C@@H]2C[N@H+](C3CCC3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306141245 570945324 /nfs/dbraw/zinc/94/53/24/570945324.db2.gz VPODVXDWODDIOT-NRFANRHFSA-N 1 0 379.552 3.556 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306144470 570946267 /nfs/dbraw/zinc/94/62/67/570946267.db2.gz ZGCTZEIPAMHXRI-UXHICEINSA-N 1 0 381.476 3.770 40 0 GHABRO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 ZINC000019450578 570984797 /nfs/dbraw/zinc/98/47/97/570984797.db2.gz AITRSFFJMMJJPY-LJQANCHMSA-N 1 0 390.487 3.609 40 0 GHABRO CCc1nn(C)c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)c1C ZINC000019521033 570994655 /nfs/dbraw/zinc/99/46/55/570994655.db2.gz QHVKKHVTYVNTEX-TYPHKJRUSA-N 1 0 398.526 3.570 40 0 GHABRO Cc1ncc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@H+]3C)c(C)n1 ZINC000019552500 571001972 /nfs/dbraw/zinc/00/19/72/571001972.db2.gz JOIYQLRXTOYUSR-CEMLEFRQSA-N 1 0 378.520 3.576 40 0 GHABRO Cc1cc(C)n(-c2cccc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)c2)n1 ZINC000019574723 571011652 /nfs/dbraw/zinc/01/16/52/571011652.db2.gz NXPDEGRLVVEYSA-NRFANRHFSA-N 1 0 380.536 3.970 40 0 GHABRO COc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019577380 571012111 /nfs/dbraw/zinc/01/21/11/571012111.db2.gz VAKKKQCOXVTBPN-NRFANRHFSA-N 1 0 380.536 3.817 40 0 GHABRO Cc1nn(C)cc1C(=O)NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000019583605 571013909 /nfs/dbraw/zinc/01/39/09/571013909.db2.gz BUBKQVRNYFBXAC-QHCPKHFHSA-N 1 0 394.563 3.897 40 0 GHABRO COCCn1cnc2cc(C(=O)N3CCCC[C@@H]3C[NH+]3CCCCCC3)ccc21 ZINC000019594217 571020248 /nfs/dbraw/zinc/02/02/48/571020248.db2.gz LXMULRLIWGTILF-HXUWFJFHSA-N 1 0 398.551 3.553 40 0 GHABRO Cc1cc(C)n(-c2ccc(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4)C3)cc2)n1 ZINC000019656079 571023375 /nfs/dbraw/zinc/02/33/75/571023375.db2.gz WTKUVCKZCKMHDO-QFIPXVFZSA-N 1 0 388.515 3.708 40 0 GHABRO COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@H+](Cc3cnc(C(C)C)nc3)C[C@@H]21 ZINC000019453958 856421385 /nfs/dbraw/zinc/42/13/85/856421385.db2.gz ZMAOSUYZYDLIEB-QMHWCDLVSA-N 1 0 381.520 3.728 40 0 GHABRO CC[N@@H+]1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3F)s2)CC1 ZINC000019705426 856425071 /nfs/dbraw/zinc/42/50/71/856425071.db2.gz RSLFXRHMSBHJMC-FQEVSTJZSA-N 1 0 378.513 3.906 40 0 GHABRO Cn1cc(C(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)cn1 ZINC000019713478 856427928 /nfs/dbraw/zinc/42/79/28/856427928.db2.gz LIXGHGRMLJUSJD-GIWBLDEGSA-N 1 0 380.536 3.510 40 0 GHABRO CN(C)c1ncccc1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713842 856428009 /nfs/dbraw/zinc/42/80/09/856428009.db2.gz DDNXOMQYBTWXEY-YADHBBJMSA-N 1 0 392.547 3.693 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000223220547 222626968 /nfs/dbraw/zinc/62/69/68/222626968.db2.gz MVYRFMALIVAWMH-RBUKOAKNSA-N 1 0 385.581 3.562 40 0 GHABRO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(-n2cccc2)c1 ZINC000226245788 212115262 /nfs/dbraw/zinc/11/52/62/212115262.db2.gz KLCNCCZUZDNGIQ-UHFFFAOYSA-N 1 0 375.472 3.586 40 0 GHABRO C[C@@H](O)C[N@H+](Cc1cccn1-c1cccc(F)c1)Cc1ccc2c(c1)OCO2 ZINC000012147972 221160330 /nfs/dbraw/zinc/16/03/30/221160330.db2.gz QLZIDIOTLXILOP-MRXNPFEDSA-N 1 0 382.435 3.728 40 0 GHABRO O=C(c1ccccc1F)N1CCCc2cc([C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291304 221174920 /nfs/dbraw/zinc/17/49/20/221174920.db2.gz UQWPJYVPOSYWJO-JOCHJYFZSA-N 1 0 382.479 3.938 40 0 GHABRO COc1ccccc1C1(O)CC[NH+](Cc2ccc3cccc(OC)c3n2)CC1 ZINC000012293057 221175486 /nfs/dbraw/zinc/17/54/86/221175486.db2.gz YRCDPFBATMIDHX-UHFFFAOYSA-N 1 0 378.472 3.736 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c(C)c1C ZINC000012337381 221183350 /nfs/dbraw/zinc/18/33/50/221183350.db2.gz KKYUPVDBEZALJY-UHFFFAOYSA-N 1 0 393.491 3.840 40 0 GHABRO Cn1ccnc1-c1nc(NCC(C)(C)C[NH+](C)C)ncc1-c1cccc(F)c1 ZINC000019085024 221396760 /nfs/dbraw/zinc/39/67/60/221396760.db2.gz AYKYORQRUMMISM-UHFFFAOYSA-N 1 0 382.487 3.683 40 0 GHABRO COc1ccc(CCC(=O)N2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)cc1 ZINC000019554556 221424821 /nfs/dbraw/zinc/42/48/21/221424821.db2.gz BIOFZVGBGSOQQJ-MQSCRBSSSA-N 1 0 382.479 3.514 40 0 GHABRO C[NH+]1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2N)CC1 ZINC000072229290 136167715 /nfs/dbraw/zinc/16/77/15/136167715.db2.gz PDCWQGVSJDRCJG-UHFFFAOYSA-N 1 0 379.291 3.580 40 0 GHABRO CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113953831 136192136 /nfs/dbraw/zinc/19/21/36/136192136.db2.gz FJNYMMCOHZOVMV-LJQANCHMSA-N 1 0 387.911 3.888 40 0 GHABRO COC(=O)[C@]1(Cc2ccc(F)cc2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340201 222232207 /nfs/dbraw/zinc/23/22/07/222232207.db2.gz SYYQGPPOANIFCN-QTEQDKRBSA-N 1 0 381.447 3.534 40 0 GHABRO COc1ccc(-c2cccc([C@H]3CCC[N@@H+](C4CCN(C(C)=O)CC4)C3)n2)cc1 ZINC000072350195 222236498 /nfs/dbraw/zinc/23/64/98/222236498.db2.gz OBYSDCZMCPJKRO-FQEVSTJZSA-N 1 0 393.531 3.948 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3nc(C)cc(Oc4ccccc4C)n3)C2)CC1 ZINC000072384361 222247027 /nfs/dbraw/zinc/24/70/27/222247027.db2.gz PTKARJMLXLWCNM-LJQANCHMSA-N 1 0 394.519 3.686 40 0 GHABRO CC1=C[C@@H](C[NH+]2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442653 560079741 /nfs/dbraw/zinc/07/97/41/560079741.db2.gz JPYUMFVAUSRJEF-ACRUOGEOSA-N 1 0 396.535 3.861 40 0 biogenic,in-vitro GHABRO CCC[N@@H+]1CCCC[C@H]1c1nc(C)ncc1C(=O)NCc1ccc(OC)cc1 ZINC000019766530 570217722 /nfs/dbraw/zinc/21/77/22/570217722.db2.gz QJYLNIPXFVNFBZ-FQEVSTJZSA-N 1 0 382.508 3.661 40 0 GHABRO Cc1nc(NCC2CC2)nc2c1COC[C@@]21CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000096244521 570223983 /nfs/dbraw/zinc/22/39/83/570223983.db2.gz NKRCMKABPPZXRA-QFIPXVFZSA-N 1 0 398.938 3.934 40 0 GHABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1 ZINC000219218254 570350037 /nfs/dbraw/zinc/35/00/37/570350037.db2.gz PHTKLAONNNCVIX-UHFFFAOYSA-N 1 0 393.487 3.539 40 0 GHABRO [NH3+][C@H](C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000685938862 570397708 /nfs/dbraw/zinc/39/77/08/570397708.db2.gz DOGITAQWGMFSER-DDBAPUKQSA-N 1 0 384.442 3.744 40 0 GHABRO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039772610 570446610 /nfs/dbraw/zinc/44/66/10/570446610.db2.gz UYNDWHMNQCQIOV-IBGZPJMESA-N 1 0 396.531 3.799 40 0 GHABRO CCOc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000030503413 570489931 /nfs/dbraw/zinc/48/99/31/570489931.db2.gz SDJYBABMRADHHI-UHFFFAOYSA-N 1 0 388.533 3.550 40 0 GHABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1C ZINC000223949136 570491433 /nfs/dbraw/zinc/49/14/33/570491433.db2.gz WTKCPVNXJGXZKC-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000224095179 570498380 /nfs/dbraw/zinc/49/83/80/570498380.db2.gz WJRYGXYHFKQTTR-UHFFFAOYSA-N 1 0 384.495 3.850 40 0 GHABRO COc1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000224331529 570509256 /nfs/dbraw/zinc/50/92/56/570509256.db2.gz WMEHPXKBWVVXQL-UHFFFAOYSA-N 1 0 382.504 3.736 40 0 GHABRO CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224791328 570530749 /nfs/dbraw/zinc/53/07/49/570530749.db2.gz UEGAPEGTIOLYNG-FQEVSTJZSA-N 1 0 382.504 3.765 40 0 GHABRO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002428600 570544179 /nfs/dbraw/zinc/54/41/79/570544179.db2.gz SSTRELGFKVZOAD-JLCFBVMHSA-N 1 0 383.492 3.794 40 0 GHABRO Cn1c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2sc1=O ZINC000225041279 570545024 /nfs/dbraw/zinc/54/50/24/570545024.db2.gz VQUHMSGMBUJIGX-UHFFFAOYSA-N 1 0 381.501 3.838 40 0 GHABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000225772968 570615702 /nfs/dbraw/zinc/61/57/02/570615702.db2.gz FNWXEKJXICIIEK-UHFFFAOYSA-N 1 0 391.487 3.924 40 0 GHABRO Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044852526 570636230 /nfs/dbraw/zinc/63/62/30/570636230.db2.gz XAJDMVMWLBNLBV-UYAOXDASSA-N 1 0 384.495 3.930 40 0 GHABRO Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044852528 570636258 /nfs/dbraw/zinc/63/62/58/570636258.db2.gz XAJDMVMWLBNLBV-AZUAARDMSA-N 1 0 384.495 3.930 40 0 GHABRO Cc1c(CN2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cnn1C ZINC000257203524 570760271 /nfs/dbraw/zinc/76/02/71/570760271.db2.gz AQLLTUNLEKFKMX-JOCHJYFZSA-N 1 0 396.922 3.941 40 0 GHABRO Cc1ncc(CN2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)s1 ZINC000257203157 570760319 /nfs/dbraw/zinc/76/03/19/570760319.db2.gz AOWYLCXLNCPNIE-LJQANCHMSA-N 1 0 396.520 3.570 40 0 GHABRO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc1C ZINC000257286792 570776128 /nfs/dbraw/zinc/77/61/28/570776128.db2.gz PNBHHXCCTJBIFG-IBGZPJMESA-N 1 0 398.526 3.633 40 0 GHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cccnc1)[C@@H]2Cc1ccccc1 ZINC000257309924 570780016 /nfs/dbraw/zinc/78/00/16/570780016.db2.gz UCXUETBDULQHED-WGNYYXNJSA-N 1 0 375.516 3.780 40 0 GHABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4c[nH]cn4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257337580 570784209 /nfs/dbraw/zinc/78/42/09/570784209.db2.gz YTJXUTSRLUMJAL-PZJWPPBQSA-N 1 0 397.519 3.949 40 0 GHABRO COc1ccc(C)cc1CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257247829 570894234 /nfs/dbraw/zinc/89/42/34/570894234.db2.gz JASBZPIQGMDCNE-PMAPCBKXSA-N 1 0 381.520 3.564 40 0 GHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257249299 570895098 /nfs/dbraw/zinc/89/50/98/570895098.db2.gz JHPBQUQFLRXRBS-CBGDNZLLSA-N 1 0 397.567 3.941 40 0 GHABRO COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)[NH+](C)C)CC2)c1 ZINC000257260593 570896987 /nfs/dbraw/zinc/89/69/87/570896987.db2.gz LDMWXTFTKNUZFH-SPEDKVCISA-N 1 0 381.520 3.929 40 0 GHABRO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)cc1 ZINC000585104186 570930196 /nfs/dbraw/zinc/93/01/96/570930196.db2.gz KKJLFSUVAXPZEG-DVECYGJZSA-N 1 0 394.515 3.507 40 0 GHABRO CC(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@@H]3[NH+]3CCCC3)C2)c1O ZINC000306124320 570936125 /nfs/dbraw/zinc/93/61/25/570936125.db2.gz BMOWRXCBCTWGEJ-REWPJTCUSA-N 1 0 386.536 3.765 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)s1 ZINC000306126431 570936912 /nfs/dbraw/zinc/93/69/12/570936912.db2.gz DVROTEOXJJFLIM-UHFFFAOYSA-N 1 0 398.576 3.763 40 0 GHABRO Cc1ccc(C[N@H+]2C[C@@H](c3ccnn3C(C)C)[C@]3(C2)CCCN(C)C3=O)s1 ZINC000306130613 570939180 /nfs/dbraw/zinc/93/91/80/570939180.db2.gz JKZNVVPUEZVCLS-GHTZIAJQSA-N 1 0 386.565 3.672 40 0 GHABRO COc1ccc(-c2cccc3nc([C@@H]4C[N@@H+](C5CCC5)CCN4C)cn32)cc1 ZINC000306130490 570939388 /nfs/dbraw/zinc/93/93/88/570939388.db2.gz JHZGKANWSVPPCW-QFIPXVFZSA-N 1 0 376.504 3.851 40 0 GHABRO C[N@@H+]1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)C3CCCCC3)CC4)c2C1 ZINC000585110343 570939741 /nfs/dbraw/zinc/93/97/41/570939741.db2.gz HNQPMISUZAQVCY-UHFFFAOYSA-N 1 0 378.520 3.530 40 0 GHABRO COc1cccc(C[NH+]2CCC3(C[C@H](C[NH+]4CCC(F)(F)CC4)O3)CC2)c1 ZINC000306138537 570943636 /nfs/dbraw/zinc/94/36/36/570943636.db2.gz SACVEJNWNPIMON-LJQANCHMSA-N 1 0 380.479 3.550 40 0 GHABRO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3ccccc3F)C[C@@H]21 ZINC000306138559 570943809 /nfs/dbraw/zinc/94/38/09/570943809.db2.gz SAVKSTMRTRPJMA-NQIIRXRSSA-N 1 0 383.444 3.841 40 0 GHABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306143592 570946559 /nfs/dbraw/zinc/94/65/59/570946559.db2.gz YGLGBNVGXBAQHY-HXUWFJFHSA-N 1 0 384.487 3.874 40 0 GHABRO Cc1cccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236382 570966324 /nfs/dbraw/zinc/96/63/24/570966324.db2.gz TYRJBWGOVPNEBM-HTAPYJJXSA-N 1 0 385.458 3.697 40 0 GHABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1)N1CCCC1 ZINC000019347019 570978112 /nfs/dbraw/zinc/97/81/12/570978112.db2.gz WRSCDVSYIYSHDM-LJQANCHMSA-N 1 0 390.487 3.838 40 0 GHABRO NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](CC2CCCCC2)C1 ZINC000019348339 570978501 /nfs/dbraw/zinc/97/85/01/570978501.db2.gz UPUOFEOMSJGZBB-DEOSSOPVSA-N 1 0 392.547 3.834 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1)c1cccs1 ZINC000019400759 570982929 /nfs/dbraw/zinc/98/29/29/570982929.db2.gz OGCHUPSANHBIES-NQIIRXRSSA-N 1 0 392.528 3.921 40 0 GHABRO CC(C)c1[nH]c2ncccc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019451526 570985775 /nfs/dbraw/zinc/98/57/75/570985775.db2.gz VKCHLDYCFSCYIG-UHFFFAOYSA-N 1 0 392.503 3.733 40 0 GHABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)[C@@H]32)cc1 ZINC000019452934 570985969 /nfs/dbraw/zinc/98/59/69/570985969.db2.gz IVJMMSJUYNOKOY-YFVAEKQCSA-N 1 0 383.492 3.509 40 0 GHABRO CC1CC[NH+](CCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 ZINC000019496899 570990092 /nfs/dbraw/zinc/99/00/92/570990092.db2.gz WRXKZVYZXNAMLG-UHFFFAOYSA-N 1 0 378.480 3.728 40 0 GHABRO CCCN1CC[N@H+](CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502934 570993727 /nfs/dbraw/zinc/99/37/27/570993727.db2.gz UUYDAAPNQLAMOB-QHCPKHFHSA-N 1 0 377.532 3.872 40 0 GHABRO COc1cccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c1 ZINC000019564955 571007076 /nfs/dbraw/zinc/00/70/76/571007076.db2.gz VAXMMGKCGZJIIM-UHFFFAOYSA-N 1 0 376.460 3.632 40 0 GHABRO Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019566170 571007338 /nfs/dbraw/zinc/00/73/38/571007338.db2.gz DSBFZLMMKWXSEQ-GOSISDBHSA-N 1 0 376.460 3.544 40 0 GHABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCc3cccs3)cc12 ZINC000019565292 571007359 /nfs/dbraw/zinc/00/73/59/571007359.db2.gz GUVBRXGWCSGZRN-UHFFFAOYSA-N 1 0 382.464 3.555 40 0 GHABRO COc1cccc(-c2cc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)[nH]n2)c1 ZINC000019566578 571008166 /nfs/dbraw/zinc/00/81/66/571008166.db2.gz RCWMXLRHWCWDMK-SFHVURJKSA-N 1 0 382.508 3.566 40 0 GHABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019568958 571009301 /nfs/dbraw/zinc/00/93/01/571009301.db2.gz LXEPWOWPXYSRGN-ZDUSSCGKSA-N 1 0 379.386 3.663 40 0 GHABRO Cc1c(C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)sc2[nH]cnc(=O)c12 ZINC000019717816 571040830 /nfs/dbraw/zinc/04/08/30/571040830.db2.gz ZPLRKRXWMBVPCH-CYBMUJFWSA-N 1 0 396.516 3.920 40 0 GHABRO Cc1noc(C)c1COc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CCCC[C@H]32)cc1 ZINC000019713224 856427440 /nfs/dbraw/zinc/42/74/40/856427440.db2.gz VTVLDORICKSNLV-LEWJYISDSA-N 1 0 383.492 3.504 40 0 GHABRO COc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000224681247 222660255 /nfs/dbraw/zinc/66/02/55/222660255.db2.gz ZNNDWCXELLYJMI-UHFFFAOYSA-N 1 0 396.531 3.939 40 0 GHABRO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008327014 221036787 /nfs/dbraw/zinc/03/67/87/221036787.db2.gz JEWDUQIDZNLQGV-MRXNPFEDSA-N 1 0 394.309 3.897 40 0 GHABRO COc1ccc(OCCCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000010277076 221100299 /nfs/dbraw/zinc/10/02/99/221100299.db2.gz IPGWIBRXKNGSKS-UHFFFAOYSA-N 1 0 382.504 3.766 40 0 GHABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293742 221175452 /nfs/dbraw/zinc/17/54/52/221175452.db2.gz OKEGUWIUESQILP-NHCUHLMSSA-N 1 0 385.479 3.827 40 0 GHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1C ZINC000012293535 221176451 /nfs/dbraw/zinc/17/64/51/221176451.db2.gz VDORHKNLOZMKFB-NHCUHLMSSA-N 1 0 385.479 3.827 40 0 GHABRO O=C(NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1)C1CCOCC1 ZINC000012188815 221165203 /nfs/dbraw/zinc/16/52/03/221165203.db2.gz RJLWHKCUXHRJAD-QHCPKHFHSA-N 1 0 384.564 3.968 40 0 GHABRO Cc1cccc2cc(C(=O)NC[C@H](c3ccc4c(c3)OCO4)[NH+](C)C)c(C)nc12 ZINC000012203769 221167690 /nfs/dbraw/zinc/16/76/90/221167690.db2.gz XDHLYGAUNGUPCT-LJQANCHMSA-N 1 0 391.471 3.613 40 0 GHABRO Cc1[nH]c2c(ccc(C)c2C)c1CC(=O)N(CC[NH+](C)C)Cc1cccnc1 ZINC000012223322 221170526 /nfs/dbraw/zinc/17/05/26/221170526.db2.gz YSZIJCKBNCSFIW-UHFFFAOYSA-N 1 0 378.520 3.621 40 0 GHABRO O=C(c1ccccc1F)N1CCCc2cc([C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291301 221174693 /nfs/dbraw/zinc/17/46/93/221174693.db2.gz UQWPJYVPOSYWJO-QFIPXVFZSA-N 1 0 382.479 3.938 40 0 GHABRO Cc1nn([C@@H](C)CC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c(C)c1Cl ZINC000019136435 221398988 /nfs/dbraw/zinc/39/89/88/221398988.db2.gz GGNHOLIDFMZPMA-KBXCAEBGSA-N 1 0 376.932 3.832 40 0 GHABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2Cc1cccnc1 ZINC000019017548 221394086 /nfs/dbraw/zinc/39/40/86/221394086.db2.gz YHOFFVQEXBFAMC-ZRBLBEILSA-N 1 0 381.495 3.980 40 0 GHABRO CC(=O)N1CCc2nc(C3CC[NH+](Cc4cc5ccccc5o4)CC3)ncc2C1 ZINC000019018881 221394639 /nfs/dbraw/zinc/39/46/39/221394639.db2.gz RMNBKDBUIHBVGK-UHFFFAOYSA-N 1 0 390.487 3.507 40 0 GHABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)Cc3ccncc3)CC2)C1 ZINC000019019959 221395513 /nfs/dbraw/zinc/39/55/13/221395513.db2.gz FSAWDPPKCZCWAS-UHFFFAOYSA-N 1 0 379.504 3.636 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)cc1O ZINC000019120760 221398154 /nfs/dbraw/zinc/39/81/54/221398154.db2.gz QNEPJOGDVSIGHN-AWEZNQCLSA-N 1 0 386.477 3.595 40 0 GHABRO CC(C)(CNC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F)[NH+]1CCCCC1 ZINC000019715336 221445176 /nfs/dbraw/zinc/44/51/76/221445176.db2.gz STRHUHWKMXGMGD-UHFFFAOYSA-N 1 0 391.466 3.539 40 0 GHABRO Cc1cc(C)c2cc(CNc3ccc(N4CC[NH+](C)CC4)cc3)c(=O)[nH]c2c1 ZINC000013562990 136201311 /nfs/dbraw/zinc/20/13/11/136201311.db2.gz TWLKFADMNJPNFU-UHFFFAOYSA-N 1 0 376.504 3.509 40 0 GHABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000057136963 222030330 /nfs/dbraw/zinc/03/03/30/222030330.db2.gz KBOQISMLELHQDA-KRWDZBQOSA-N 1 0 380.488 3.547 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)C)c2nccs2)C1 ZINC000072341411 222232160 /nfs/dbraw/zinc/23/21/60/222232160.db2.gz HLSHJRUNUIEOPH-HKUYNNGSSA-N 1 0 387.549 3.877 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)C)c3nccs3)C2)c1 ZINC000072341412 222232225 /nfs/dbraw/zinc/23/22/25/222232225.db2.gz IVCPPTPTNOGADB-MJGOQNOKSA-N 1 0 387.549 3.877 40 0 GHABRO CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072348763 222234559 /nfs/dbraw/zinc/23/45/59/222234559.db2.gz QEVRARZCQYGYGK-UHFFFAOYSA-N 1 0 383.511 3.859 40 0 GHABRO COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072349725 222236784 /nfs/dbraw/zinc/23/67/84/222236784.db2.gz VFZRLIXKMOTRQX-GOSISDBHSA-N 1 0 379.504 3.559 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)CC1 ZINC000072350399 222237441 /nfs/dbraw/zinc/23/74/41/222237441.db2.gz YTVWJWIRGJXBQB-HXUWFJFHSA-N 1 0 395.522 3.859 40 0 GHABRO CCC[N@@H+]1CC[C@H](c2cc3nc(C)c(CCC(=O)NC4CCCC4)c(C)n3n2)C1 ZINC000072369607 222240614 /nfs/dbraw/zinc/24/06/14/222240614.db2.gz ZITHUANTSIXZBD-SFHVURJKSA-N 1 0 397.567 3.537 40 0 GHABRO COc1ccccc1Oc1cncc([C@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)n1 ZINC000072362585 222240888 /nfs/dbraw/zinc/24/08/88/222240888.db2.gz FTXIPNJNHLMJBW-KRWDZBQOSA-N 1 0 393.491 3.699 40 0 GHABRO Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@@H]2CCC[NH2+]C2)C1 ZINC000072372155 222242624 /nfs/dbraw/zinc/24/26/24/222242624.db2.gz AMLWOIZFZNIUCK-QGZVFWFLSA-N 1 0 391.494 3.567 40 0 GHABRO Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000072377101 222245362 /nfs/dbraw/zinc/24/53/62/222245362.db2.gz HEUDZAVUMAAHJG-SFHVURJKSA-N 1 0 399.926 3.529 40 0 GHABRO COc1ccc(CN2C[C@@H](c3cn(C)c4ccccc34)[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000072395138 222251392 /nfs/dbraw/zinc/25/13/92/222251392.db2.gz VGSLPMCLWWMHKV-JTHBVZDNSA-N 1 0 393.531 3.725 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CC1 ZINC000072398561 222252985 /nfs/dbraw/zinc/25/29/85/222252985.db2.gz UFDXKTKGIQUDIZ-UWJYYQICSA-N 1 0 385.458 3.839 40 0 GHABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2Br)C1 ZINC000089223561 222327241 /nfs/dbraw/zinc/32/72/41/222327241.db2.gz KFQBWPXFMWKRPF-CQSZACIVSA-N 1 0 383.330 3.838 40 0 GHABRO Cn1cc(C[NH+]2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)cn1 ZINC000096038197 222374235 /nfs/dbraw/zinc/37/42/35/222374235.db2.gz UZYHXZUSGIQIRU-UHFFFAOYSA-N 1 0 390.466 3.649 40 0 GHABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)COC3 ZINC000096112634 222380972 /nfs/dbraw/zinc/38/09/72/222380972.db2.gz LCSXHFKHMLNPPI-HNNXBMFYSA-N 1 0 391.393 3.925 40 0 biogenic,in-vitro GHABRO O=C(Cc1cccs1)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216382 222398093 /nfs/dbraw/zinc/39/80/93/222398093.db2.gz KDUPGDWMGJYEEE-JOCHJYFZSA-N 1 0 384.545 3.684 40 0 GHABRO O=C(CCc1cccnc1)N1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000096203021 222398464 /nfs/dbraw/zinc/39/84/64/222398464.db2.gz KJOVJBQJFWZLOS-UHFFFAOYSA-N 1 0 383.923 3.792 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](NC(=O)c4cccs4)CO3)CC2)cc1C ZINC000096221255 222399171 /nfs/dbraw/zinc/39/91/71/222399171.db2.gz FDZYUJSYTXGNBV-LJQANCHMSA-N 1 0 384.545 3.918 40 0 GHABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC3CCCCC3)n2)cn1 ZINC000035425396 560080114 /nfs/dbraw/zinc/08/01/14/560080114.db2.gz VQXHZHMMOYAPEZ-SFHVURJKSA-N 1 0 386.496 3.874 40 0 biogenic,in-vitro GHABRO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096260505 570225810 /nfs/dbraw/zinc/22/58/10/570225810.db2.gz SUVABYUDTWIGKG-UHFFFAOYSA-N 1 0 398.526 3.591 40 0 GHABRO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1CCC[N@@H+]1[C@@H]2c1ccc2ccccc2n1 ZINC000100194909 570236950 /nfs/dbraw/zinc/23/69/50/570236950.db2.gz RKOONEMLJYTHIL-DXBBTUNJSA-N 1 0 383.451 3.560 40 0 GHABRO COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)[NH+](C)C)CC1 ZINC000100750203 570276405 /nfs/dbraw/zinc/27/64/05/570276405.db2.gz XNPUCJFAWGCFNP-GLDPYIMESA-N 1 0 395.547 3.858 40 0 GHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000100750218 570276532 /nfs/dbraw/zinc/27/65/32/570276532.db2.gz QIHYOIQIBJECQL-YYDVJCTNSA-N 1 0 383.511 3.989 40 0 GHABRO C[NH+](C)CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118915701 570367017 /nfs/dbraw/zinc/36/70/17/570367017.db2.gz PPMFMAOFTZHACB-FMWKKIILSA-N 1 0 389.580 3.562 40 0 in-vitro GHABRO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c(Cl)c1 ZINC000025224498 570413729 /nfs/dbraw/zinc/41/37/29/570413729.db2.gz CNIRXEDNVVXCHY-SFHVURJKSA-N 1 0 381.863 3.594 40 0 GHABRO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000005063878 570427832 /nfs/dbraw/zinc/42/78/32/570427832.db2.gz GBOXTRXXNRKFJY-UHFFFAOYSA-N 1 0 383.463 3.995 40 0 GHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000039768079 570446482 /nfs/dbraw/zinc/44/64/82/570446482.db2.gz DMZOEIMPXHVEGZ-UHFFFAOYSA-N 1 0 380.488 3.941 40 0 GHABRO CCCC[NH+](CCCC)CCCNC(=O)c1cn(Cc2ccccc2)nc1N ZINC000006592321 570484445 /nfs/dbraw/zinc/48/44/45/570484445.db2.gz XBZLKECYMGSFOI-UHFFFAOYSA-N 1 0 385.556 3.536 40 0 GHABRO O=S(=O)(Cc1cccc(Cl)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224828693 570532808 /nfs/dbraw/zinc/53/28/08/570532808.db2.gz YPWGOSLITGKFMD-UHFFFAOYSA-N 1 0 392.952 3.946 40 0 GHABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000225006711 570543093 /nfs/dbraw/zinc/54/30/93/570543093.db2.gz WXFUXKPPKKGUAZ-UHFFFAOYSA-N 1 0 393.531 3.682 40 0 GHABRO C[C@H]1CCCC[N@@H+]1[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1 ZINC000036748683 570563139 /nfs/dbraw/zinc/56/31/39/570563139.db2.gz LDIYXNVMTYBEDU-QYWGDWMGSA-N 1 0 393.487 3.960 40 0 GHABRO COc1cc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)o2)cc2c1OCO2 ZINC000036740281 570568922 /nfs/dbraw/zinc/56/89/22/570568922.db2.gz YUQQMWPXPHTHPG-UHFFFAOYSA-N 1 0 383.448 3.614 40 0 GHABRO O=C(Cc1csc(-c2ccccc2)n1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000036748781 570570007 /nfs/dbraw/zinc/57/00/07/570570007.db2.gz NKILDZSVUIKERU-UHFFFAOYSA-N 1 0 392.528 3.528 40 0 GHABRO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834517 570585972 /nfs/dbraw/zinc/58/59/72/570585972.db2.gz QKQZLTYSKGCORW-MRXNPFEDSA-N 1 0 386.879 3.977 40 0 GHABRO COc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038848917 570587060 /nfs/dbraw/zinc/58/70/60/570587060.db2.gz WHISJVYBWVVLSP-IBGZPJMESA-N 1 0 386.923 3.920 40 0 GHABRO Cc1cc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)ccc1N1CCCC1=O ZINC000225737741 570611156 /nfs/dbraw/zinc/61/11/56/570611156.db2.gz BEXHBEVMXVGZRC-MRXNPFEDSA-N 1 0 388.581 3.530 40 0 GHABRO COc1cc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc(OC)c1O ZINC000012187102 570621374 /nfs/dbraw/zinc/62/13/74/570621374.db2.gz XGDPDHWOBTYOJX-SFHVURJKSA-N 1 0 375.440 3.730 40 0 GHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1 ZINC000006629900 570748236 /nfs/dbraw/zinc/74/82/36/570748236.db2.gz KIDSLYSWZXYVOT-UHFFFAOYSA-N 1 0 385.533 3.972 40 0 GHABRO Cc1cccnc1C(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257213931 570761562 /nfs/dbraw/zinc/76/15/62/570761562.db2.gz CJTJNMKZSAFQMF-ROLQDKDTSA-N 1 0 375.516 3.746 40 0 GHABRO COc1ncc(C[N@@H+]2CCC[C@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 ZINC000257232521 570765591 /nfs/dbraw/zinc/76/55/91/570765591.db2.gz GLFSMMPXPINWHQ-SFHVURJKSA-N 1 0 379.464 3.532 40 0 GHABRO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000257232271 570765607 /nfs/dbraw/zinc/76/56/07/570765607.db2.gz GKCMVOHJWDDZHG-FGZHOGPDSA-N 1 0 384.499 3.604 40 0 GHABRO Cc1nc(-c2ccccn2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2 ZINC000257267637 570772978 /nfs/dbraw/zinc/77/29/78/570772978.db2.gz MIEXARGPNYKWIC-YHXHNGJMSA-N 1 0 382.533 3.649 40 0 GHABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257305872 570779016 /nfs/dbraw/zinc/77/90/16/570779016.db2.gz SRXBDFRJFRUKPW-GOSISDBHSA-N 1 0 385.483 3.596 40 0 GHABRO COc1ccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)cc1 ZINC000257332218 570782931 /nfs/dbraw/zinc/78/29/31/570782931.db2.gz XWGWFRAHSQOVOJ-UHFFFAOYSA-N 1 0 396.535 3.814 40 0 GHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257249300 570895042 /nfs/dbraw/zinc/89/50/42/570895042.db2.gz JHPBQUQFLRXRBS-FIKGOQFSSA-N 1 0 397.567 3.941 40 0 GHABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)CCOc2cccc(F)c2)c2ccccn2)CC1 ZINC000257313852 570907339 /nfs/dbraw/zinc/90/73/39/570907339.db2.gz UUJRJHGKNBANAT-DRSNIGMVSA-N 1 0 385.483 3.612 40 0 GHABRO CC(C)C[C@H](O)C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100377 570924887 /nfs/dbraw/zinc/92/48/87/570924887.db2.gz KMXFBALNFOBJGJ-UNMCSNQZSA-N 1 0 394.506 3.719 40 0 GHABRO CC(C)C[C@@H](O)C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100800 570928062 /nfs/dbraw/zinc/92/80/62/570928062.db2.gz WYQOAOGINDSTOL-IFMALSPDSA-N 1 0 376.516 3.580 40 0 GHABRO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306123826 570935939 /nfs/dbraw/zinc/93/59/39/570935939.db2.gz AXZIXLFHTJMPPC-QHCPKHFHSA-N 1 0 393.462 3.873 40 0 GHABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccs4)C[C@H]32)cc1 ZINC000306131838 570939924 /nfs/dbraw/zinc/93/99/24/570939924.db2.gz KQRFNWHLWDTITL-NHCUHLMSSA-N 1 0 393.512 3.640 40 0 GHABRO c1cncc(-c2ccc3nc([C@@H]4CC[N@@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306132530 570940238 /nfs/dbraw/zinc/94/02/38/570940238.db2.gz LLOJLWBKFIZQTI-LJQANCHMSA-N 1 0 399.454 3.510 40 0 GHABRO COc1ccc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306134057 570941599 /nfs/dbraw/zinc/94/15/99/570941599.db2.gz NCSUQYUOSZPOIV-PMACEKPBSA-N 1 0 389.499 3.872 40 0 GHABRO Cc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c(Br)c1 ZINC000228936302 570952176 /nfs/dbraw/zinc/95/21/76/570952176.db2.gz VOZYDCCXVBQYSV-UHFFFAOYSA-N 1 0 387.285 3.565 40 0 GHABRO Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)C[NH+]1CCCCCC1 ZINC000019239568 570968721 /nfs/dbraw/zinc/96/87/21/570968721.db2.gz OKECKNZPYXADFB-FQEVSTJZSA-N 1 0 381.524 3.710 40 0 GHABRO COc1ccc2c(cc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)n2C)c1OC ZINC000019289697 570971401 /nfs/dbraw/zinc/97/14/01/570971401.db2.gz HNUWUIJOIREAMV-QGZVFWFLSA-N 1 0 399.535 3.676 40 0 GHABRO O=C(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1)[C@@H]1CCCO1 ZINC000019332821 570975634 /nfs/dbraw/zinc/97/56/34/570975634.db2.gz JWAKBCGJSVFDGY-IBGZPJMESA-N 1 0 376.928 3.521 40 0 GHABRO COc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1Br ZINC000019361734 570979718 /nfs/dbraw/zinc/97/97/18/570979718.db2.gz YYBQGKNCXLPPSM-NJAFHUGGSA-N 1 0 391.353 3.788 40 0 GHABRO O[C@@H](c1nccs1)c1cccc(F)c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000019371323 570981085 /nfs/dbraw/zinc/98/10/85/570981085.db2.gz XFQDQHMHBKJEAD-OAQYLSRUSA-N 1 0 397.519 3.729 40 0 GHABRO c1ncn(Cc2ccccc2)c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000019372777 570981130 /nfs/dbraw/zinc/98/11/30/570981130.db2.gz PNARBDWRYZXVJP-ZEQRLZLVSA-N 1 0 386.543 3.823 40 0 GHABRO CC(C)Oc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000019450572 570985077 /nfs/dbraw/zinc/98/50/77/570985077.db2.gz MICKLBNNBLSUCG-SFHVURJKSA-N 1 0 390.487 3.609 40 0 GHABRO CC(C)c1cc(C(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cs1 ZINC000019452174 570985522 /nfs/dbraw/zinc/98/55/22/570985522.db2.gz NRTUCNKSPHJOBH-UHFFFAOYSA-N 1 0 384.549 3.669 40 0 GHABRO CC(C)n1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)cn1 ZINC000019454946 570986675 /nfs/dbraw/zinc/98/66/75/570986675.db2.gz VVHPOYUUODQQSZ-BDTNDASRSA-N 1 0 380.536 3.947 40 0 GHABRO CCn1ncc(-c2cc(C(=O)NC3(C[NH+]4CCCCC4)CCCCC3)on2)c1C ZINC000019524066 570996507 /nfs/dbraw/zinc/99/65/07/570996507.db2.gz ZVTZOARFVDYREG-UHFFFAOYSA-N 1 0 399.539 3.785 40 0 GHABRO CCN(CC)[C@@H](C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1ccco1 ZINC000019526304 570997383 /nfs/dbraw/zinc/99/73/83/570997383.db2.gz OSPHPCQGKPGJGJ-FQEVSTJZSA-N 1 0 390.491 3.557 40 0 GHABRO CCOc1ncccc1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019531527 570998669 /nfs/dbraw/zinc/99/86/69/570998669.db2.gz YICOITHBCNSSSU-BDTNDASRSA-N 1 0 393.531 3.963 40 0 GHABRO Cc1ncsc1C(=O)N(C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019561975 571006112 /nfs/dbraw/zinc/00/61/12/571006112.db2.gz GDZFLTFNCVYYCN-UHFFFAOYSA-N 1 0 385.533 3.729 40 0 GHABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)c1OC ZINC000019567695 571008647 /nfs/dbraw/zinc/00/86/47/571008647.db2.gz RQQBUPBHOBEBAZ-UHFFFAOYSA-N 1 0 380.448 3.528 40 0 GHABRO COc1cc2c(cc1CN1CCCC[C@@H]1c1ncc3c(n1)CC[N@@H+](C)C3)CCC2 ZINC000019590322 571017218 /nfs/dbraw/zinc/01/72/18/571017218.db2.gz CEMKSSMTNLBHHJ-JOCHJYFZSA-N 1 0 392.547 3.689 40 0 GHABRO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](CCc2ccccc2)C1 ZINC000019591659 571019118 /nfs/dbraw/zinc/01/91/18/571019118.db2.gz PKAWLHNPLMORFL-SANMLTNESA-N 1 0 399.538 3.972 40 0 GHABRO COCCn1cc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c2ccccc21 ZINC000019594205 571020401 /nfs/dbraw/zinc/02/04/01/571020401.db2.gz JEYWPONXMVUXSL-OAQYLSRUSA-N 1 0 379.504 3.864 40 0 GHABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702581 856424735 /nfs/dbraw/zinc/42/47/35/856424735.db2.gz GHKJUBMWABNGJX-OAHLLOKOSA-N 1 0 397.548 3.779 40 0 GHABRO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000222639082 222610478 /nfs/dbraw/zinc/61/04/78/222610478.db2.gz KHPMIEBBGXYBPB-UHFFFAOYSA-N 1 0 376.551 3.809 40 0 GHABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1C1CC1 ZINC000223216826 222627113 /nfs/dbraw/zinc/62/71/13/222627113.db2.gz YXRSYWQDIPPBOI-LEWJYISDSA-N 1 0 397.592 3.759 40 0 GHABRO O=S(=O)(Cc1c(F)cccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224615663 222658448 /nfs/dbraw/zinc/65/84/48/222658448.db2.gz QHPQXUNDLWEFPR-UHFFFAOYSA-N 1 0 396.915 3.695 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000225437205 222677509 /nfs/dbraw/zinc/67/75/09/222677509.db2.gz QYMFDFKCENMPHW-UHFFFAOYSA-N 1 0 397.972 3.925 40 0 GHABRO C[C@]12CCCN(C(=O)c3ccc(Cc4ccccc4F)nc3)[C@H]1CCCC[NH2+]2 ZINC000257213176 222754830 /nfs/dbraw/zinc/75/48/30/222754830.db2.gz CGLWJJNGLARWKM-GMAHTHKFSA-N 1 0 381.495 3.948 40 0 GHABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023633527 212106740 /nfs/dbraw/zinc/10/67/40/212106740.db2.gz SSYBLIKKSQBNIM-WIYYLYMNSA-N 1 0 386.511 3.901 40 0 GHABRO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328966266 212091074 /nfs/dbraw/zinc/09/10/74/212091074.db2.gz CKQCTXZRTKKTCW-JXFKEZNVSA-N 1 0 398.551 3.645 40 0 GHABRO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328966267 212090843 /nfs/dbraw/zinc/09/08/43/212090843.db2.gz CKQCTXZRTKKTCW-OXJNMPFZSA-N 1 0 398.551 3.645 40 0 GHABRO C[C@@H]1CCC[C@@H]([N@@H+]2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]2C)C1 ZINC000010587789 212077558 /nfs/dbraw/zinc/07/75/58/212077558.db2.gz SNIZDVPEJYDTHR-WSTZPKSXSA-N 1 0 390.535 3.905 40 0 GHABRO Cc1cc2nc(C3CC[NH+](Cc4cn(C)c5ccc(F)cc45)CC3)cc(N)n2n1 ZINC000012121587 221154781 /nfs/dbraw/zinc/15/47/81/221154781.db2.gz GWDFPPXOTWSKOS-UHFFFAOYSA-N 1 0 392.482 3.630 40 0 GHABRO COCCC(=O)N1CCC(c2[nH+]c3ccc(F)cn3c2NC2CCCC2)CC1 ZINC000012127929 221155309 /nfs/dbraw/zinc/15/53/09/221155309.db2.gz FXMYNZBUSWLZOV-UHFFFAOYSA-N 1 0 388.487 3.570 40 0 GHABRO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)Nc1cccc2ccccc21 ZINC000012144596 221158482 /nfs/dbraw/zinc/15/84/82/221158482.db2.gz AJGSULCSQDGKGK-UHFFFAOYSA-N 1 0 385.471 3.860 40 0 GHABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012330107 221182344 /nfs/dbraw/zinc/18/23/44/221182344.db2.gz KJILKNBKHPFZSZ-RRGWEWPQSA-N 1 0 399.445 3.963 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)C)c2nccs2)C1 ZINC000012183327 221162796 /nfs/dbraw/zinc/16/27/96/221162796.db2.gz HLSHJRUNUIEOPH-IEBWSBKVSA-N 1 0 387.549 3.877 40 0 GHABRO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)c1 ZINC000012185793 221163838 /nfs/dbraw/zinc/16/38/38/221163838.db2.gz HZLRYUSPDVDQOB-GOSISDBHSA-N 1 0 393.487 3.601 40 0 GHABRO CC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291160 221174475 /nfs/dbraw/zinc/17/44/75/221174475.db2.gz LOLAGMUUKAEGDQ-DEOSSOPVSA-N 1 0 394.490 3.948 40 0 GHABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000018109847 221387059 /nfs/dbraw/zinc/38/70/59/221387059.db2.gz WZJVGJKQEBQZLP-QGZVFWFLSA-N 1 0 380.488 3.935 40 0 GHABRO O=C(c1ccccc1-c1ccccc1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019374243 221411330 /nfs/dbraw/zinc/41/13/30/221411330.db2.gz IBNFAZZBGXAOAF-QFIPXVFZSA-N 1 0 384.483 3.767 40 0 GHABRO Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)C[NH+]2CCCCCC2)c1C ZINC000019558148 221426803 /nfs/dbraw/zinc/42/68/03/221426803.db2.gz FMSLTGODFGKPCV-IBGZPJMESA-N 1 0 399.539 3.622 40 0 GHABRO Cn1cc(C(N)=O)c(CC2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000019756296 221451536 /nfs/dbraw/zinc/45/15/36/221451536.db2.gz NRGMGDIKKPCOBI-UHFFFAOYSA-N 1 0 388.515 3.641 40 0 GHABRO COc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3)[nH+]c(C)n1)CC2 ZINC000244334133 136192497 /nfs/dbraw/zinc/19/24/97/136192497.db2.gz XPSIELDZXXPLIT-UHFFFAOYSA-N 1 0 390.487 3.977 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)C)c2nccs2)C1 ZINC000072341410 222232217 /nfs/dbraw/zinc/23/22/17/222232217.db2.gz HLSHJRUNUIEOPH-MJGOQNOKSA-N 1 0 387.549 3.877 40 0 GHABRO CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072348759 222235416 /nfs/dbraw/zinc/23/54/16/222235416.db2.gz USKBCDWGSDGMTH-UHFFFAOYSA-N 1 0 383.511 3.859 40 0 GHABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cccnc2N(C)C)C1 ZINC000072352305 222237452 /nfs/dbraw/zinc/23/74/52/222237452.db2.gz NDRZAQCYYMKJBU-HNNXBMFYSA-N 1 0 394.544 3.711 40 0 GHABRO NC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072352552 222238535 /nfs/dbraw/zinc/23/85/35/222238535.db2.gz IZYLCPYCVLQAKU-HNNXBMFYSA-N 1 0 388.496 3.933 40 0 GHABRO Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCCOc3ccccc3)C2)ccn1 ZINC000072356489 222239183 /nfs/dbraw/zinc/23/91/83/222239183.db2.gz RNIWFBGMBBCTIN-SFHVURJKSA-N 1 0 377.492 3.702 40 0 GHABRO O=C(C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCCC1 ZINC000072359367 222239662 /nfs/dbraw/zinc/23/96/62/222239662.db2.gz LTANTOJZKUASCW-GOSISDBHSA-N 1 0 398.938 3.989 40 0 GHABRO Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2C2CC[NH2+]CC2)C1 ZINC000072372123 222241829 /nfs/dbraw/zinc/24/18/29/222241829.db2.gz QILCCCZQLKTDIF-UHFFFAOYSA-N 1 0 391.494 3.567 40 0 GHABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2cccc(Nc3ncccc3C)n2)C1 ZINC000072376040 222242191 /nfs/dbraw/zinc/24/21/91/222242191.db2.gz FYESRCLSOIYCKR-SFHVURJKSA-N 1 0 376.508 3.950 40 0 GHABRO Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2CC(=O)N2CCC(C)CC2)[nH+]1 ZINC000072372494 222243357 /nfs/dbraw/zinc/24/33/57/222243357.db2.gz DXQQIZJKHKGFNS-NRFANRHFSA-N 1 0 393.535 3.924 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc(C)cc(Oc4ccccc4C)n3)C2)CC1 ZINC000072384362 222247341 /nfs/dbraw/zinc/24/73/41/222247341.db2.gz PTKARJMLXLWCNM-IBGZPJMESA-N 1 0 394.519 3.686 40 0 GHABRO Cc1n[nH]c(C)c1CCC(=O)NCC1CCC([C@H](c2ccccn2)[NH+](C)C)CC1 ZINC000072391153 222249616 /nfs/dbraw/zinc/24/96/16/222249616.db2.gz PTQXODXMZMPCMH-MTNXOHHFSA-N 1 0 397.567 3.580 40 0 GHABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000089212644 222328171 /nfs/dbraw/zinc/32/81/71/222328171.db2.gz HIYHTVMFEBBJAI-MRXNPFEDSA-N 1 0 383.330 3.981 40 0 GHABRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642485 222271576 /nfs/dbraw/zinc/27/15/76/222271576.db2.gz JKYWWZJXJIWNEG-NSHDSACASA-N 1 0 378.259 3.809 40 0 GHABRO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]Cc1ccccc1Cl)C2 ZINC000096112894 222381670 /nfs/dbraw/zinc/38/16/70/222381670.db2.gz LHMHBQNIFLHBPC-INIZCTEOSA-N 1 0 383.879 3.901 40 0 biogenic,in-vitro GHABRO CC1=C[C@@H](C[NH2+]CCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883539 560089654 /nfs/dbraw/zinc/08/96/54/560089654.db2.gz CLIWYBLKZUNVHC-FHWLQOOXSA-N 1 0 376.589 3.915 40 0 biogenic,in-vitro GHABRO CN1CC[NH2+]C[C@@H](Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)C1 ZINC000585263242 570231688 /nfs/dbraw/zinc/23/16/88/570231688.db2.gz ROJPMGWDQTVWAH-QGZVFWFLSA-N 1 0 379.533 3.642 40 0 GHABRO COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)[NH+](C)C)CC2)cc1 ZINC000100750209 570276576 /nfs/dbraw/zinc/27/65/76/570276576.db2.gz FWJSYLMVJZVMIJ-ROKPMTFOSA-N 1 0 395.547 3.858 40 0 GHABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CCOCC2)cc1 ZINC000110229467 570321817 /nfs/dbraw/zinc/32/18/17/570321817.db2.gz FVBWHYBLMUMPJK-UHFFFAOYSA-N 1 0 382.504 3.622 40 0 GHABRO CC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)C[NH+]1CCN(C)CC1 ZINC000022576639 570322239 /nfs/dbraw/zinc/32/22/39/570322239.db2.gz DQVIJOCOLCADKE-YKSBVNFPSA-N 1 0 380.532 3.571 40 0 GHABRO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCC(=O)NC1CCCCC1 ZINC000004670816 570391733 /nfs/dbraw/zinc/39/17/33/570391733.db2.gz JFJQXMQGWWRZSK-UHFFFAOYSA-N 1 0 382.504 3.813 40 0 GHABRO COc1ccc(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1Br ZINC000005722010 570453029 /nfs/dbraw/zinc/45/30/29/570453029.db2.gz YSOCJYPSQCCGNA-INIZCTEOSA-N 1 0 392.293 3.904 40 0 GHABRO COc1ccc(Br)cc1CN1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000224084729 570497615 /nfs/dbraw/zinc/49/76/15/570497615.db2.gz FRJUIIYCYYSTGB-BBWFWOEESA-N 1 0 391.353 3.788 40 0 GHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000224531335 570516638 /nfs/dbraw/zinc/51/66/38/570516638.db2.gz JPFUKRLJDATNQL-UHFFFAOYSA-N 1 0 382.504 3.541 40 0 GHABRO O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430014 570531634 /nfs/dbraw/zinc/53/16/34/570531634.db2.gz MHDMAIIDZZQDDM-UHFFFAOYSA-N 1 0 392.421 3.996 40 0 GHABRO COc1ccc(Cl)cc1NC(=S)N1CC[NH+](C2CCSCC2)CC1 ZINC000225216733 570557072 /nfs/dbraw/zinc/55/70/72/570557072.db2.gz SLLPGVIQZMJHQO-UHFFFAOYSA-N 1 0 385.986 3.559 40 0 GHABRO FC(F)(F)c1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000225217392 570557083 /nfs/dbraw/zinc/55/70/83/570557083.db2.gz QWHLSFQOIYVUOR-UHFFFAOYSA-N 1 0 389.512 3.915 40 0 GHABRO COC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834522 570585926 /nfs/dbraw/zinc/58/59/26/570585926.db2.gz OFEAXHRVZLDPFV-INIZCTEOSA-N 1 0 386.879 3.977 40 0 GHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccccc2)CC1 ZINC000038835986 570586573 /nfs/dbraw/zinc/58/65/73/570586573.db2.gz MTYADSZMVPSHNI-HXUWFJFHSA-N 1 0 397.950 3.901 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C(=O)OC)ccc1C ZINC000225581981 570590792 /nfs/dbraw/zinc/59/07/92/570590792.db2.gz HCQZEDCDZCRIDJ-KRWDZBQOSA-N 1 0 377.554 3.723 40 0 GHABRO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1 ZINC000004231338 570622459 /nfs/dbraw/zinc/62/24/59/570622459.db2.gz HYQJPAOOYRPILU-UHFFFAOYSA-N 1 0 392.503 3.822 40 0 GHABRO COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCC[NH3+] ZINC000616581018 570681454 /nfs/dbraw/zinc/68/14/54/570681454.db2.gz IVGJGWNPAKJGGB-UHFFFAOYSA-N 1 0 377.488 3.693 40 0 GHABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1sccc1C)CC2 ZINC000253598368 570735131 /nfs/dbraw/zinc/73/51/31/570735131.db2.gz AAQZPPWDUWFVNV-LJQANCHMSA-N 1 0 376.566 3.544 40 0 GHABRO CCc1ncc(C[N@H+]2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCCN3C(C)=O)cn1 ZINC000257230720 570764943 /nfs/dbraw/zinc/76/49/43/570764943.db2.gz GDQCJHBEZBTGSV-FDFHNCONSA-N 1 0 378.520 3.756 40 0 GHABRO Cc1ccc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257235758 570766538 /nfs/dbraw/zinc/76/65/38/570766538.db2.gz GZHHFDPZOAMIDN-NRFANRHFSA-N 1 0 394.563 3.767 40 0 GHABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccnn1 ZINC000257260884 570771457 /nfs/dbraw/zinc/77/14/57/570771457.db2.gz LEXJXQILYPMCLN-CFKFVRPNSA-N 1 0 390.531 3.565 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1 ZINC000257334810 570783545 /nfs/dbraw/zinc/78/35/45/570783545.db2.gz YHLISKNJIMVWFL-UHFFFAOYSA-N 1 0 399.510 3.626 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 ZINC000306123514 570935607 /nfs/dbraw/zinc/93/56/07/570935607.db2.gz APDWXVPDKRSAJI-GOTSBHOMSA-N 1 0 387.483 3.578 40 0 GHABRO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 ZINC000306123516 570935734 /nfs/dbraw/zinc/93/57/34/570935734.db2.gz APDWXVPDKRSAJI-XZOQPEGZSA-N 1 0 387.483 3.578 40 0 GHABRO CN1CC[N@H+](Cc2ccccc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306125547 570936815 /nfs/dbraw/zinc/93/68/15/570936815.db2.gz CTSRRCHJYYKUPC-NRFANRHFSA-N 1 0 389.528 3.947 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306135885 570942032 /nfs/dbraw/zinc/94/20/32/570942032.db2.gz PDUYEIZEDZKVJX-FGZHOGPDSA-N 1 0 393.437 3.848 40 0 GHABRO O=C(NCc1noc(-c2ccc(Cl)cc2)n1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000019369179 570980648 /nfs/dbraw/zinc/98/06/48/570980648.db2.gz DIQZLJKOSOBJHG-LJQANCHMSA-N 1 0 396.878 3.843 40 0 GHABRO O=c1cc(C[C@H]([NH2+]Cc2ccccc2)c2ccccc2)nc(-c2ccccn2)[nH]1 ZINC000019372690 570981064 /nfs/dbraw/zinc/98/10/64/570981064.db2.gz MFVKFGCGCATWQV-QFIPXVFZSA-N 1 0 382.467 3.906 40 0 GHABRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019447922 570984306 /nfs/dbraw/zinc/98/43/06/570984306.db2.gz ANHMRFJZEUJOLT-KRWDZBQOSA-N 1 0 389.503 3.542 40 0 GHABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000019450826 570985528 /nfs/dbraw/zinc/98/55/28/570985528.db2.gz AJEWUXJDSUUWQO-HSZRJFAPSA-N 1 0 381.520 3.958 40 0 GHABRO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](CC[C@@H](C)c2ccccc2)C3)CC1 ZINC000019455728 570987210 /nfs/dbraw/zinc/98/72/10/570987210.db2.gz AIHULRSYFJVMNQ-GOSISDBHSA-N 1 0 392.547 3.754 40 0 GHABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](CCc4ccccc4)C3)no2)CC1 ZINC000019496735 570990071 /nfs/dbraw/zinc/99/00/71/570990071.db2.gz IZYIOWRMQQLHAO-FQEVSTJZSA-N 1 0 381.520 3.969 40 0 GHABRO CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1OC ZINC000019533693 570999754 /nfs/dbraw/zinc/99/97/54/570999754.db2.gz OTOUENIWRBCGQK-DETIRCLXSA-N 1 0 382.504 3.609 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c(F)c1 ZINC000019551769 571001496 /nfs/dbraw/zinc/00/14/96/571001496.db2.gz QCLHTFVPTCGQQD-ZDUSSCGKSA-N 1 0 391.397 3.589 40 0 GHABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1n[nH]c2c1CCCC2 ZINC000019589160 571016326 /nfs/dbraw/zinc/01/63/26/571016326.db2.gz YHRWZSDTGNASGZ-JMUQELJHSA-N 1 0 392.547 3.771 40 0 GHABRO COCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1 ZINC000019593548 571019811 /nfs/dbraw/zinc/01/98/11/571019811.db2.gz MWUYBMDKSSXSKZ-IBGZPJMESA-N 1 0 393.487 3.584 40 0 GHABRO CC(=O)N1CCC[C@@H]1c1cc(N2CCN(Cc3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000019698261 571030462 /nfs/dbraw/zinc/03/04/62/571030462.db2.gz SCAKULCMVNJWGC-HSZRJFAPSA-N 1 0 396.510 3.535 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(C)=O)c3nccs3)C2)c(C)c1C ZINC000012365813 856418639 /nfs/dbraw/zinc/41/86/39/856418639.db2.gz WSDOETBFBXMGLM-AZUAARDMSA-N 1 0 387.549 3.858 40 0 GHABRO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C)[C@H]3C)C[C@H]2c2csnn2)cc1 ZINC000019211974 856421465 /nfs/dbraw/zinc/42/14/65/856421465.db2.gz OKXDKRMWHYEUNX-KVPLUYHFSA-N 1 0 398.576 3.677 40 0 GHABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702583 856425053 /nfs/dbraw/zinc/42/50/53/856425053.db2.gz GHKJUBMWABNGJX-HNNXBMFYSA-N 1 0 397.548 3.779 40 0 GHABRO CC(C)c1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019712628 856426077 /nfs/dbraw/zinc/42/60/77/856426077.db2.gz DJHLJFRMNRMHAE-VWPQPMDRSA-N 1 0 378.520 3.627 40 0 GHABRO CCc1ncc(C[N@@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)cn1 ZINC000019713868 856428303 /nfs/dbraw/zinc/42/83/03/856428303.db2.gz BQMGBPURWWVIPI-RTWAWAEBSA-N 1 0 396.510 3.724 40 0 GHABRO COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000049111167 859024766 /nfs/dbraw/zinc/02/47/66/859024766.db2.gz FGJOAGVKQWXJAD-KRWDZBQOSA-N 1 0 378.488 3.550 40 0 GHABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](C[C@H]4CCOC4)C3)cc2n1 ZINC000248187797 870312721 /nfs/dbraw/zinc/31/27/21/870312721.db2.gz ILWKHFNFALMWTL-ZIAGYGMSSA-N 1 0 382.430 3.697 40 0 GHABRO COC(=O)c1cc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1Cl ZINC000225729493 222692821 /nfs/dbraw/zinc/69/28/21/222692821.db2.gz PYXSAZQSIVXRMX-KBPBESRZSA-N 1 0 397.972 3.781 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225729838 222693272 /nfs/dbraw/zinc/69/32/72/222693272.db2.gz PHDVJYUWFBRXRD-HZPDHXFCSA-N 1 0 377.554 3.518 40 0 GHABRO Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[NH2+]2 ZINC000257228236 222759401 /nfs/dbraw/zinc/75/94/01/222759401.db2.gz FSYVOFPNXANJSG-WGVRVLLMSA-N 1 0 382.533 3.649 40 0 GHABRO CC[C@@H]1[C@H](OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CC[NH+]1CC2 ZINC000001641784 212252550 /nfs/dbraw/zinc/25/25/50/212252550.db2.gz LGCQVJSQUJNJEC-FYYLOGMGSA-N 1 0 379.500 3.729 40 0 GHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)NCc1ccccc1 ZINC000008623584 221046766 /nfs/dbraw/zinc/04/67/66/221046766.db2.gz DTCLIFALMFUEOR-SFTDATJTSA-N 1 0 389.499 3.816 40 0 biogenic,in-vitro GHABRO COc1ncc(C[N@@H+]2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012085325 221148763 /nfs/dbraw/zinc/14/87/63/221148763.db2.gz DRDUKHPRXXCAAB-LESCRADOSA-N 1 0 393.409 3.936 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(Cl)cc1 ZINC000012329800 221182409 /nfs/dbraw/zinc/18/24/09/221182409.db2.gz FDLIAMLIJIYFHF-OALUTQOASA-N 1 0 391.870 3.863 40 0 GHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330209 221183137 /nfs/dbraw/zinc/18/31/37/221183137.db2.gz XEBGHOWCYQJQCG-DHIUTWEWSA-N 1 0 393.527 3.868 40 0 GHABRO CC(C)OCCC[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186386 221163939 /nfs/dbraw/zinc/16/39/39/221163939.db2.gz CKXCGIGFPJVJMS-UHFFFAOYSA-N 1 0 396.535 3.916 40 0 GHABRO OCCCn1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012240515 221172419 /nfs/dbraw/zinc/17/24/19/221172419.db2.gz VZEOUTRPKFUOOE-UHFFFAOYSA-N 1 0 382.479 3.646 40 0 GHABRO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000015936010 221352417 /nfs/dbraw/zinc/35/24/17/221352417.db2.gz GZAWMPYHXAUIHH-UHFFFAOYSA-N 1 0 385.895 3.694 40 0 GHABRO COc1ccc(CNC(=O)[C@H](C)[NH2+]CCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000016695387 221369399 /nfs/dbraw/zinc/36/93/99/221369399.db2.gz DKHVRXDMLXDFDN-KRWDZBQOSA-N 1 0 384.520 3.666 40 0 GHABRO CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2C[N@@H+](C)Cc2ccccc2)C1 ZINC000019016945 221393883 /nfs/dbraw/zinc/39/38/83/221393883.db2.gz YOCUUXZJXPRZLY-LJQANCHMSA-N 1 0 376.504 3.921 40 0 GHABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113945804 136192186 /nfs/dbraw/zinc/19/21/86/136192186.db2.gz GVYXSQPOGLRFNN-GOSISDBHSA-N 1 0 389.499 3.998 40 0 GHABRO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000031666965 221711345 /nfs/dbraw/zinc/71/13/45/221711345.db2.gz XCDBQPRZWHNLCS-HSZRJFAPSA-N 1 0 376.500 3.710 40 0 GHABRO Cc1nc2cc(C3CCOCC3)nn2c(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000072337432 222230042 /nfs/dbraw/zinc/23/00/42/222230042.db2.gz YIAJSPUVKYEVDQ-SFHVURJKSA-N 1 0 385.556 3.772 40 0 GHABRO Cc1nccn1-c1cccc(C2CC[NH+](CCOc3ccc(F)cc3)CC2)n1 ZINC000072376602 222245918 /nfs/dbraw/zinc/24/59/18/222245918.db2.gz XXLVEMDXIJFKTQ-UHFFFAOYSA-N 1 0 380.467 3.973 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)n2)CC1 ZINC000072384372 222247001 /nfs/dbraw/zinc/24/70/01/222247001.db2.gz XROROPFXYUFFSI-FQEVSTJZSA-N 1 0 384.455 3.556 40 0 GHABRO O=C(N1CCCC1)N1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000096078865 222376886 /nfs/dbraw/zinc/37/68/86/222376886.db2.gz SAEUYLPZWBLYHN-UHFFFAOYSA-N 1 0 376.504 3.651 40 0 GHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000039751189 534270142 /nfs/dbraw/zinc/27/01/42/534270142.db2.gz SQKNAIYWOVNJNW-UHFFFAOYSA-N 1 0 380.488 3.941 40 0 GHABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287260 570256270 /nfs/dbraw/zinc/25/62/70/570256270.db2.gz LQPZUDHKDXZZFE-SFGWALBWSA-N 1 0 379.516 3.873 40 0 GHABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)c(OC)c1 ZINC000585289264 570257204 /nfs/dbraw/zinc/25/72/04/570257204.db2.gz OYCHWWDWYDBZSF-QKNQBKEWSA-N 1 0 391.895 3.808 40 0 GHABRO CC(C)c1cc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)[NH+](C)C)CC2)[nH]n1 ZINC000100750235 570276508 /nfs/dbraw/zinc/27/65/08/570276508.db2.gz PBUXOSXRSYECEW-LLGFUMIMSA-N 1 0 383.540 3.767 40 0 GHABRO C[C@@H](O)C[NH2+]CCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022075030 570321140 /nfs/dbraw/zinc/32/11/40/570321140.db2.gz GYZCLJRPAIVFGV-CQSZACIVSA-N 1 0 383.319 3.632 40 0 GHABRO Cc1ccc(SCc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000022934629 570338300 /nfs/dbraw/zinc/33/83/00/570338300.db2.gz MHJWURXDRYVAGJ-UHFFFAOYSA-N 1 0 397.588 3.655 40 0 GHABRO C[C@H]1CCCC[C@@H]1[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000057698476 570365047 /nfs/dbraw/zinc/36/50/47/570365047.db2.gz SVSXLBRHFDFOOD-PXNSSMCTSA-N 1 0 378.582 3.869 40 0 GHABRO CC[NH+](CC)C[C@@H](OC)[C@H](COC)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004792378 570406087 /nfs/dbraw/zinc/40/60/87/570406087.db2.gz LZLUKZHCUAXOJV-YADHBBJMSA-N 1 0 399.531 3.734 40 0 GHABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000222715800 570422208 /nfs/dbraw/zinc/42/22/08/570422208.db2.gz VZERXMDJZGQQOJ-GOSISDBHSA-N 1 0 394.515 3.856 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223276647 570455234 /nfs/dbraw/zinc/45/52/34/570455234.db2.gz IEZTWTINSQGLHP-RTWAWAEBSA-N 1 0 397.592 3.922 40 0 GHABRO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224550793 570517850 /nfs/dbraw/zinc/51/78/50/570517850.db2.gz PTPWRNQBCKMCED-UHFFFAOYSA-N 1 0 390.886 3.886 40 0 GHABRO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224552451 570518266 /nfs/dbraw/zinc/51/82/66/570518266.db2.gz HVCXMWGLNTXTNZ-UHFFFAOYSA-N 1 0 390.886 3.886 40 0 GHABRO CSc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224823362 570532847 /nfs/dbraw/zinc/53/28/47/570532847.db2.gz ADBQFILEXUZDAZ-UHFFFAOYSA-N 1 0 390.574 3.873 40 0 GHABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C(C)(C)Br)cc2)C1 ZINC000225594446 570592341 /nfs/dbraw/zinc/59/23/41/570592341.db2.gz NSIVOPLCCOZMAP-CQSZACIVSA-N 1 0 383.330 3.909 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225729815 570610293 /nfs/dbraw/zinc/61/02/93/570610293.db2.gz PHDVJYUWFBRXRD-IYBDPMFKSA-N 1 0 377.554 3.518 40 0 GHABRO CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873151 570637699 /nfs/dbraw/zinc/63/76/99/570637699.db2.gz FHAOKRQUYABRAS-HXUWFJFHSA-N 1 0 382.504 3.765 40 0 GHABRO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872213 570637702 /nfs/dbraw/zinc/63/77/02/570637702.db2.gz DKFOCUYQOBXVNU-JOCHJYFZSA-N 1 0 382.504 3.765 40 0 GHABRO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253480220 570741873 /nfs/dbraw/zinc/74/18/73/570741873.db2.gz VNMRXZNXEDNUMN-RBPBXQJFSA-N 1 0 390.543 3.540 40 0 GHABRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(F)cc2)C2CCCC2)C1 ZINC000257209780 570761228 /nfs/dbraw/zinc/76/12/28/570761228.db2.gz BRWAEZHNZUEZQT-RTBURBONSA-N 1 0 378.488 3.551 40 0 GHABRO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)nc1C ZINC000257221774 570763150 /nfs/dbraw/zinc/76/31/50/570763150.db2.gz DQLHULWJYLQYQI-LJQANCHMSA-N 1 0 398.526 3.633 40 0 GHABRO CC(C)c1cc(C(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)[nH]n1 ZINC000257268820 570772831 /nfs/dbraw/zinc/77/28/31/570772831.db2.gz MNIGFSGNTRHOSF-CHSSDKTLSA-N 1 0 392.547 3.890 40 0 GHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccccn1)[C@@H]2Cc1ccccc1 ZINC000257321148 570781483 /nfs/dbraw/zinc/78/14/83/570781483.db2.gz WAGTZBDBVGOZGJ-WGNYYXNJSA-N 1 0 375.516 3.780 40 0 GHABRO CC(C)CCC[C@@]1(C)Oc2c(O)cccc2[C@H]2OC[C@]3(C[NH2+]CCO3)C[C@@H]21 ZINC000257324847 570781878 /nfs/dbraw/zinc/78/18/78/570781878.db2.gz WQLHDMNRNMQEAG-RGMHLJPOSA-N 1 0 375.509 3.806 40 0 GHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000010544112 570791805 /nfs/dbraw/zinc/79/18/05/570791805.db2.gz HOLGDQLYFNAQHI-OKILXGFUSA-N 1 0 393.380 3.781 40 0 GHABRO CCCC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502164 570927134 /nfs/dbraw/zinc/92/71/34/570927134.db2.gz HQHPYWFZAPQPGI-IBGZPJMESA-N 1 0 388.585 3.574 40 0 GHABRO Cc1nc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)s1 ZINC000585103667 570929225 /nfs/dbraw/zinc/92/92/25/570929225.db2.gz FHFOLQGTXVVVGM-HTAPYJJXSA-N 1 0 399.560 3.572 40 0 GHABRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 ZINC000585103978 570929618 /nfs/dbraw/zinc/92/96/18/570929618.db2.gz HTNOKFGHGKMTGV-XMMPIXPASA-N 1 0 378.516 3.555 40 0 GHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306129405 570938530 /nfs/dbraw/zinc/93/85/30/570938530.db2.gz ICDATFRAJWNURO-FQEVSTJZSA-N 1 0 385.471 3.789 40 0 GHABRO COc1cccc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306134577 570941608 /nfs/dbraw/zinc/94/16/08/570941608.db2.gz NSNAJGBSDAMFQW-XMMPIXPASA-N 1 0 386.499 3.649 40 0 GHABRO COc1c(C)cccc1C[NH+]1CCC([C@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019235925 570965903 /nfs/dbraw/zinc/96/59/03/570965903.db2.gz KOGBJVLSLOBOPB-QFIPXVFZSA-N 1 0 393.531 3.878 40 0 GHABRO Cc1ccn(C[C@@H](C)C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)n1 ZINC000019238004 570967209 /nfs/dbraw/zinc/96/72/09/570967209.db2.gz RGCTZDGGAQRDOD-MSYGRNIXSA-N 1 0 394.563 3.697 40 0 GHABRO Cc1ccnn1[C@@H](C)C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C ZINC000019238275 570967636 /nfs/dbraw/zinc/96/76/36/570967636.db2.gz GLXPYCVOSLIJCJ-MVWVFHAYSA-N 1 0 398.526 3.761 40 0 GHABRO COc1cccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 ZINC000019285172 570969223 /nfs/dbraw/zinc/96/92/23/570969223.db2.gz WQUFVJLSOHQKCE-NRFANRHFSA-N 1 0 388.471 3.642 40 0 GHABRO O=C(NCc1cccnc1)c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)no1 ZINC000019293804 570973216 /nfs/dbraw/zinc/97/32/16/570973216.db2.gz LWUVIAXTNJDUEN-UHFFFAOYSA-N 1 0 394.450 3.518 40 0 GHABRO O=C(c1ccccc1Cn1ccnc1)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019349794 570979206 /nfs/dbraw/zinc/97/92/06/570979206.db2.gz LOZZOSPQRZBOQJ-OAQYLSRUSA-N 1 0 380.536 3.802 40 0 GHABRO O=C1N[C@]2(COC3(C2)CC[NH+](Cc2ccc(Cl)cc2)CC3)Nc2ccccc21 ZINC000019374622 570981623 /nfs/dbraw/zinc/98/16/23/570981623.db2.gz XEMDNJYTPCRCCG-JOCHJYFZSA-N 1 0 397.906 3.647 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019374897 570982038 /nfs/dbraw/zinc/98/20/38/570982038.db2.gz QUDNUGSXUNYYOT-RTWAWAEBSA-N 1 0 396.462 3.691 40 0 GHABRO O=C(NCc1cccc(F)c1)c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019401685 570982890 /nfs/dbraw/zinc/98/28/90/570982890.db2.gz RMRSIAVSGZIJCA-KRWDZBQOSA-N 1 0 394.450 3.518 40 0 GHABRO O=C(C1CCC1)N1CCC(c2[nH]c3nccnc3c2C[NH+]2CCCCCC2)CC1 ZINC000019404247 570983313 /nfs/dbraw/zinc/98/33/13/570983313.db2.gz FQPRXHWZVDEHRL-UHFFFAOYSA-N 1 0 395.551 3.840 40 0 GHABRO CC(C)c1nccn1CCC(=O)N1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019454475 570986809 /nfs/dbraw/zinc/98/68/09/570986809.db2.gz BUDMVOVVYDKVTJ-MQSCRBSSSA-N 1 0 394.563 3.923 40 0 GHABRO COc1ccccc1CN(Cc1cnc(OC)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019461023 570988896 /nfs/dbraw/zinc/98/88/96/570988896.db2.gz GMIODBUVWKFBQC-UHFFFAOYSA-N 1 0 398.551 3.805 40 0 GHABRO CCc1nnsc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019521881 570994883 /nfs/dbraw/zinc/99/48/83/570994883.db2.gz ADUDPYMDOQKEEY-BHIYHBOVSA-N 1 0 384.549 3.583 40 0 GHABRO Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)C[NH+]2CCCCCC2)c1C ZINC000019558151 571004425 /nfs/dbraw/zinc/00/44/25/571004425.db2.gz FMSLTGODFGKPCV-LJQANCHMSA-N 1 0 399.539 3.622 40 0 GHABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCc1ccncc1 ZINC000019589140 571016277 /nfs/dbraw/zinc/01/62/77/571016277.db2.gz HBVOEVZSMFCQNZ-CQOQZXRMSA-N 1 0 377.532 3.883 40 0 GHABRO Cc1ccccc1[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1c1csnn1 ZINC000019237417 856421684 /nfs/dbraw/zinc/42/16/84/856421684.db2.gz WDZDTILSWMYKDN-YAJHFMINSA-N 1 0 398.576 3.534 40 0 GHABRO CCn1cc(C[N@@H+]2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)N3C(C)=O)cn1 ZINC000019712888 856427504 /nfs/dbraw/zinc/42/75/04/856427504.db2.gz OGLFXLSOGUQHTI-SMIHKQSGSA-N 1 0 394.563 3.880 40 0 GHABRO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](CC[C@@H](C)c2ccccc2)C3)C1 ZINC000247961523 880094830 /nfs/dbraw/zinc/09/48/30/880094830.db2.gz VMDYUJXHFVICHB-NQIIRXRSSA-N 1 0 392.547 3.754 40 0 GHABRO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](CC[C@H](C)c2ccccc2)C3)C1 ZINC000247961527 880095171 /nfs/dbraw/zinc/09/51/71/880095171.db2.gz VMDYUJXHFVICHB-RXVVDRJESA-N 1 0 392.547 3.754 40 0 GHABRO C[C@@]12CCCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)[C@H]1CCCC[NH2+]2 ZINC000257256127 222765041 /nfs/dbraw/zinc/76/50/41/222765041.db2.gz KKERGHYWOPTINF-JTHBVZDNSA-N 1 0 394.519 3.809 40 0 GHABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(c3ccc(F)cc3)CC1)C2 ZINC000035052919 212111582 /nfs/dbraw/zinc/11/15/82/212111582.db2.gz PCYLJSIICAVAJD-TUUKDFBESA-N 1 0 390.543 3.540 40 0 GHABRO CC[C@@H](C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C)[nH+]1 ZINC000328979160 212091163 /nfs/dbraw/zinc/09/11/63/212091163.db2.gz GDLHQHMEBRVNDF-GFCCVEGCSA-N 1 0 380.414 3.879 40 0 GHABRO CCNc1nc(N2CCc3ccc(Br)cc3C2)cc(C(C)C)[nH+]1 ZINC000328963460 212090375 /nfs/dbraw/zinc/09/03/75/212090375.db2.gz BOHGLAVEXYPRAN-UHFFFAOYSA-N 1 0 375.314 3.779 40 0 GHABRO CCc1nccn1Cc1cc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OC ZINC000012147706 221159919 /nfs/dbraw/zinc/15/99/19/221159919.db2.gz UXOMZKMNOWDCEQ-XMMPIXPASA-N 1 0 391.515 3.596 40 0 GHABRO Cc1cc(C)n(-c2cccc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)c2)n1 ZINC000012185709 221164033 /nfs/dbraw/zinc/16/40/33/221164033.db2.gz MRBNOKQYRMLVCE-GOSISDBHSA-N 1 0 393.487 3.601 40 0 GHABRO CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)C[NH+]2CCCCCC2)C1 ZINC000012221094 221168964 /nfs/dbraw/zinc/16/89/64/221168964.db2.gz UXJLDXJRIUVTPS-IBGZPJMESA-N 1 0 393.535 3.544 40 0 GHABRO C[NH+]1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2N)CC1 ZINC000072229310 136167698 /nfs/dbraw/zinc/16/76/98/136167698.db2.gz WZCMBZQHJYCGKL-UHFFFAOYSA-N 1 0 379.291 3.580 40 0 GHABRO CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000113970400 136192209 /nfs/dbraw/zinc/19/22/09/136192209.db2.gz BOFUGXLZKWGVGZ-QFIPXVFZSA-N 1 0 381.520 3.797 40 0 GHABRO COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(NCc3ccccc3)n1)CC2 ZINC000244210858 136192619 /nfs/dbraw/zinc/19/26/19/136192619.db2.gz VUDKSOFXTLOZSM-UHFFFAOYSA-N 1 0 390.487 3.977 40 0 GHABRO CCCc1ncc(C[N@@H+]2CCCC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)cn1 ZINC000072330663 222228372 /nfs/dbraw/zinc/22/83/72/222228372.db2.gz OLQHSJJRQYHTAW-VQTJNVASSA-N 1 0 398.576 3.546 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072348752 222234719 /nfs/dbraw/zinc/23/47/19/222234719.db2.gz VPARGJXYYQLIMX-LJQANCHMSA-N 1 0 381.520 3.805 40 0 GHABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349730 222236713 /nfs/dbraw/zinc/23/67/13/222236713.db2.gz GDNKPXBHCKTNTH-LJQANCHMSA-N 1 0 381.495 3.613 40 0 GHABRO COc1ccccc1Oc1nccnc1C1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000072362582 222241600 /nfs/dbraw/zinc/24/16/00/222241600.db2.gz KVVHDIAKSVRKOI-UHFFFAOYSA-N 1 0 393.491 3.699 40 0 GHABRO CC(C)CC(=O)N[C@H](c1nccs1)C1CCC(C[NH2+]C2CCOCC2)CC1 ZINC000072373172 222242274 /nfs/dbraw/zinc/24/22/74/222242274.db2.gz ZJSRVIIBLJLJOM-UHYCVJNDSA-N 1 0 393.597 3.922 40 0 GHABRO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)ncn1 ZINC000072377417 222244945 /nfs/dbraw/zinc/24/49/45/222244945.db2.gz UJHNGTNUTSNWLI-INIZCTEOSA-N 1 0 393.470 3.571 40 0 GHABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4cnc(C)nc4)C3)cc2n1 ZINC000072397141 222253258 /nfs/dbraw/zinc/25/32/58/222253258.db2.gz ZVJZETCGGDMJDI-OAHLLOKOSA-N 1 0 390.413 3.535 40 0 GHABRO C[C@H](O)C(=O)O[C@](CC[NH+]1CCCCC1)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000095871150 222360897 /nfs/dbraw/zinc/36/08/97/222360897.db2.gz ATZOURLUNRGDHW-FDHDAJFTSA-N 1 0 383.532 3.894 40 0 GHABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000096053034 222374312 /nfs/dbraw/zinc/37/43/12/222374312.db2.gz MUKUNRIWYKSAIE-FQEVSTJZSA-N 1 0 394.563 3.700 40 0 GHABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000096053033 222375078 /nfs/dbraw/zinc/37/50/78/222375078.db2.gz MUKUNRIWYKSAIE-HXUWFJFHSA-N 1 0 394.563 3.700 40 0 GHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053418 222375088 /nfs/dbraw/zinc/37/50/88/222375088.db2.gz GJFMQUOVVRBDQT-SFHVURJKSA-N 1 0 380.488 3.849 40 0 GHABRO O=C(c1ccncc1)N1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000096071009 222376690 /nfs/dbraw/zinc/37/66/90/222376690.db2.gz RKNFOFRWDLHSRW-UHFFFAOYSA-N 1 0 389.421 3.839 40 0 GHABRO CCc1nc(-c2cc(C(=O)N3CCC([NH+](C)C)CC3)c3ccccn23)cs1 ZINC000096154816 222390726 /nfs/dbraw/zinc/39/07/26/222390726.db2.gz TYSIMMNBCFNKDZ-UHFFFAOYSA-N 1 0 382.533 3.791 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](NC(=O)c4cccs4)CO3)CC2)cc1C ZINC000096221253 222398948 /nfs/dbraw/zinc/39/89/48/222398948.db2.gz FDZYUJSYTXGNBV-IBGZPJMESA-N 1 0 384.545 3.918 40 0 GHABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5ccc(Cl)cc5)ccc43)C2)CC1 ZINC000004237294 560197755 /nfs/dbraw/zinc/19/77/55/560197755.db2.gz HAEDNNBXWOZRJM-FUHWJXTLSA-N 1 0 397.950 3.682 40 0 biogenic,in-vitro GHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccncc2)n1 ZINC000329018340 570212666 /nfs/dbraw/zinc/21/26/66/570212666.db2.gz NPWMUCQQGWONCO-UHFFFAOYSA-N 1 0 390.535 3.975 40 0 GHABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](CCc2ccccc2)C1 ZINC000585262553 570230810 /nfs/dbraw/zinc/23/08/10/570230810.db2.gz SLDPIOOKMSRBQD-DEOSSOPVSA-N 1 0 389.499 3.565 40 0 GHABRO Clc1ccc2ncc(-c3cccc(C[C@@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585263439 570231622 /nfs/dbraw/zinc/23/16/22/570231622.db2.gz ZIPLQFUAXNEBHW-HNNXBMFYSA-N 1 0 382.895 3.751 40 0 GHABRO CCCC(CCC)[N@@H+]1CCN(C(C)=O)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281842 570248599 /nfs/dbraw/zinc/24/85/99/570248599.db2.gz CCOXICDMWQNKDF-QHCPKHFHSA-N 1 0 390.568 3.546 40 0 GHABRO COc1ccccc1CC[NH2+][C@H]1CCCN(C(C)=O)[C@H]1Cc1ccc(C)cc1 ZINC000585286731 570256083 /nfs/dbraw/zinc/25/60/83/570256083.db2.gz UKXPRZQEXMNILL-GOTSBHOMSA-N 1 0 380.532 3.758 40 0 GHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000100750239 570276526 /nfs/dbraw/zinc/27/65/26/570276526.db2.gz JHPBQUQFLRXRBS-LLGFUMIMSA-N 1 0 397.567 3.941 40 0 GHABRO OCCN1CC[NH+](CC/C=C2\c3ccccc3COc3ccc(Cl)cc32)CC1 ZINC000102036582 570286663 /nfs/dbraw/zinc/28/66/63/570286663.db2.gz RAAHIUIRJUOMAU-AERZKKPOSA-N 1 0 398.934 3.664 40 0 GHABRO [NH3+][C@@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@H]1CCCO1 ZINC000685938866 570398159 /nfs/dbraw/zinc/39/81/59/570398159.db2.gz PTBLQLIJUVBVLS-IAGOWNOFSA-N 1 0 391.265 3.686 40 0 GHABRO CN(CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000222602250 570416482 /nfs/dbraw/zinc/41/64/82/570416482.db2.gz KXEPBDRQHFOZAH-HXUWFJFHSA-N 1 0 383.511 3.680 40 0 GHABRO Cc1cc(Nc2ncc(-c3ccccc3)s2)nc(C2CC[NH+](CCO)CC2)n1 ZINC000143384958 570442132 /nfs/dbraw/zinc/44/21/32/570442132.db2.gz WRWXSTAFBJHFCZ-UHFFFAOYSA-N 1 0 395.532 3.824 40 0 GHABRO COc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039758083 570449546 /nfs/dbraw/zinc/44/95/46/570449546.db2.gz JIMIPWSFSHUUGX-IBGZPJMESA-N 1 0 396.531 3.799 40 0 GHABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000223211473 570450278 /nfs/dbraw/zinc/45/02/78/570450278.db2.gz IEIBHNQFCJPTHB-HZPDHXFCSA-N 1 0 380.970 3.721 40 0 GHABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223262244 570454310 /nfs/dbraw/zinc/45/43/10/570454310.db2.gz JNMCWNVWAMEORQ-UXHICEINSA-N 1 0 383.565 3.532 40 0 GHABRO Cc1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1F ZINC000224539896 570517281 /nfs/dbraw/zinc/51/72/81/570517281.db2.gz ASONJPVJWSKMAX-UHFFFAOYSA-N 1 0 376.497 3.599 40 0 GHABRO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224534760 570517399 /nfs/dbraw/zinc/51/73/99/570517399.db2.gz QCDHRBCQVVJBIX-UHFFFAOYSA-N 1 0 386.923 3.885 40 0 GHABRO O=C(COc1cccc2c1CCCC2)NCc1ccccc1C[NH+]1CCCC1 ZINC000224801495 570531291 /nfs/dbraw/zinc/53/12/91/570531291.db2.gz QSGFTUXGUMXGJI-UHFFFAOYSA-N 1 0 378.516 3.856 40 0 GHABRO CCOC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834595 570585962 /nfs/dbraw/zinc/58/59/62/570585962.db2.gz PXCAXGRELGJKCN-KRWDZBQOSA-N 1 0 384.451 3.853 40 0 GHABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000038836085 570587213 /nfs/dbraw/zinc/58/72/13/570587213.db2.gz ZJQAZGPIEQEGHC-UHFFFAOYSA-N 1 0 377.532 3.881 40 0 GHABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000225737183 570611089 /nfs/dbraw/zinc/61/10/89/570611089.db2.gz ZKSDQEOCVRZOPX-OAHLLOKOSA-N 1 0 377.554 3.580 40 0 GHABRO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260732986 570701117 /nfs/dbraw/zinc/70/11/17/570701117.db2.gz DMCRUJSQBMKEMA-ZDUSSCGKSA-N 1 0 383.945 3.535 40 0 GHABRO C[NH+](C)CCCN(Cc1ccco1)Cc1cc2c(cc1Br)OCO2 ZINC000057810859 570703930 /nfs/dbraw/zinc/70/39/30/570703930.db2.gz XELGIONTCMBSRR-UHFFFAOYSA-N 1 0 395.297 3.725 40 0 GHABRO COc1cccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000260846284 570710284 /nfs/dbraw/zinc/71/02/84/570710284.db2.gz JZNDVOWDHJLFQS-SFHVURJKSA-N 1 0 382.504 3.736 40 0 GHABRO CCOc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3[N@H+](C)CCC[C@@]32C)[nH]n1 ZINC000257204591 570760472 /nfs/dbraw/zinc/76/04/72/570760472.db2.gz AVJBLCMWNJVLNM-UNMCSNQZSA-N 1 0 382.508 3.564 40 0 GHABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCCC[C@H]2N(C(=O)c1ccccn1)[C@H]3Cc1ccccc1 ZINC000257214595 570762245 /nfs/dbraw/zinc/76/22/45/570762245.db2.gz CMOYVEQOQBBTBD-CHSSDKTLSA-N 1 0 375.516 3.828 40 0 GHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009062668 570773682 /nfs/dbraw/zinc/77/36/82/570773682.db2.gz QHBZNZDHBMBWLL-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO CC1(C)CC2(CO1)CCN(CC(=O)Nc1ccc(Br)cc1)CC2 ZINC000257274989 570774004 /nfs/dbraw/zinc/77/40/04/570774004.db2.gz NNMXSWXHFWBQDB-UHFFFAOYSA-N 1 0 381.314 3.669 40 0 GHABRO CNC(=O)c1sc2nc([C@H]3CCCC[N@@H+]3Cc3cccc(C)n3)ccc2c1N ZINC000257332359 570782873 /nfs/dbraw/zinc/78/28/73/570782873.db2.gz XWYOURDVUQZKPR-QGZVFWFLSA-N 1 0 395.532 3.669 40 0 GHABRO c1ccc2c3nc(-c4cccnc4)nn3c(SCC[NH+]3CCCCC3)nc2c1 ZINC000013640175 570863064 /nfs/dbraw/zinc/86/30/64/570863064.db2.gz MBVJCLUUEGZJEQ-UHFFFAOYSA-N 1 0 390.516 3.918 40 0 GHABRO COc1ccccc1CC(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)[NH+](C)C)CC1 ZINC000257330257 570909111 /nfs/dbraw/zinc/90/91/11/570909111.db2.gz XNPUCJFAWGCFNP-KHCICDEESA-N 1 0 395.547 3.858 40 0 GHABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](CC2CC(F)(F)C2)CC3)cs1 ZINC000585100822 570928540 /nfs/dbraw/zinc/92/85/40/570928540.db2.gz YBZUWWTUOOPJJI-GOSISDBHSA-N 1 0 383.508 3.844 40 0 GHABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)cc1 ZINC000585104890 570933935 /nfs/dbraw/zinc/93/39/35/570933935.db2.gz VYKKWUVXVNGLPY-QFIPXVFZSA-N 1 0 393.531 3.533 40 0 GHABRO Cc1ccsc1C[N@H+]1CCN(C)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306132583 570940457 /nfs/dbraw/zinc/94/04/57/570940457.db2.gz LMWJDDYVHPYUFZ-IBGZPJMESA-N 1 0 395.576 3.793 40 0 GHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306135884 570942010 /nfs/dbraw/zinc/94/20/10/570942010.db2.gz PDUYEIZEDZKVJX-FCHUYYIVSA-N 1 0 393.437 3.848 40 0 GHABRO Cc1ccnn1[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019238297 570967577 /nfs/dbraw/zinc/96/75/77/570967577.db2.gz HUMIKHADCGUQET-UVUJQTEASA-N 1 0 380.536 3.622 40 0 GHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3noc(-c4cnc(C)cn4)n3)C2)c(C)c1C ZINC000019239029 570968155 /nfs/dbraw/zinc/96/81/55/570968155.db2.gz KNBSSPPZWSWDTG-SFHVURJKSA-N 1 0 393.491 3.840 40 0 GHABRO O=C(c1ccccc1Br)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238907194 570981451 /nfs/dbraw/zinc/98/14/51/570981451.db2.gz RXTIGKLAJXZYQR-KRWDZBQOSA-N 1 0 385.305 3.722 40 0 GHABRO COc1cc(C[N@@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)ccc1OC(C)C ZINC000019450764 570985051 /nfs/dbraw/zinc/98/50/51/570985051.db2.gz QLSGQKAXCQXEJP-KRWDZBQOSA-N 1 0 395.507 3.539 40 0 GHABRO CCOc1ccc(CC(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1OCC ZINC000004580996 570992640 /nfs/dbraw/zinc/99/26/40/570992640.db2.gz XFWFVHSWQIAGAN-UHFFFAOYSA-N 1 0 376.541 3.794 40 0 GHABRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019533266 570999824 /nfs/dbraw/zinc/99/98/24/570999824.db2.gz BCTVJMDFHXEUTE-OAQYLSRUSA-N 1 0 390.487 3.958 40 0 GHABRO COc1cc(C)c(C[NH2+][C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)cc1C ZINC000019567396 571008714 /nfs/dbraw/zinc/00/87/14/571008714.db2.gz OSSDYXTUNFLIGT-OAQYLSRUSA-N 1 0 395.478 3.916 40 0 GHABRO Cc1occc1-c1cc2nc([C@H]3CCC[N@H+](Cc4ccncc4)C3)cc(N)n2n1 ZINC000019583122 571014089 /nfs/dbraw/zinc/01/40/89/571014089.db2.gz FPLOOQTZMQCXBH-KRWDZBQOSA-N 1 0 388.475 3.655 40 0 GHABRO CN(C)C(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)nc1 ZINC000019705892 571031864 /nfs/dbraw/zinc/03/18/64/571031864.db2.gz YKHBNGGICNCRMZ-LJQANCHMSA-N 1 0 393.531 3.877 40 0 GHABRO Fc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCNC5)C3)c2)cc1 ZINC000019710977 571034789 /nfs/dbraw/zinc/03/47/89/571034789.db2.gz VGHJERBIUBTKBB-FQEVSTJZSA-N 1 0 391.494 3.567 40 0 GHABRO Cc1cc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)ccc1Cl ZINC000328964064 571047718 /nfs/dbraw/zinc/04/77/18/571047718.db2.gz BSOQNFXNKDXZLI-UHFFFAOYSA-N 1 0 382.899 3.639 40 0 GHABRO COc1ccc(CCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063290 856410126 /nfs/dbraw/zinc/41/01/26/856410126.db2.gz UWYNTGHVEZQCKA-UHFFFAOYSA-N 1 0 386.923 3.920 40 0 GHABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019235944 856421296 /nfs/dbraw/zinc/42/12/96/856421296.db2.gz OEQRTXAFJKWUBA-DENIHFKCSA-N 1 0 393.531 3.878 40 0 GHABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](Cc2ccccc2)C1 ZINC000019703540 856424529 /nfs/dbraw/zinc/42/45/29/856424529.db2.gz DFUNVVZMWCSCAW-QHCPKHFHSA-N 1 0 375.472 3.522 40 0 GHABRO Cc1nc(C)c(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@H+]3C)o1 ZINC000019712899 856426792 /nfs/dbraw/zinc/42/67/92/856426792.db2.gz LBJAZMFEMYMOPH-NJYVYQBISA-N 1 0 381.520 3.992 40 0 GHABRO C[C@@]12C[C@H]3CN(C(=O)c4ccc(Cc5ccccc5)nc4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257311961 222775382 /nfs/dbraw/zinc/77/53/82/222775382.db2.gz ULTQWTHOMAVBAJ-YCSHWKNNSA-N 1 0 375.516 3.808 40 0 GHABRO Cc1cccc(C)c1NC(=O)C[N@H+](CC(C)C)C[C@@H](O)COc1ccccc1 ZINC000001668545 212254177 /nfs/dbraw/zinc/25/41/77/212254177.db2.gz MNXKPHJMSHXNDP-HXUWFJFHSA-N 1 0 384.520 3.640 40 0 GHABRO Cc1ccc(N2CC[NH+](CCCN3CCN(c4cccc(C)c4)CC3)CC2)cc1 ZINC000002022101 212261823 /nfs/dbraw/zinc/26/18/23/212261823.db2.gz KAIFYSPLOOIVRV-UHFFFAOYSA-N 1 0 392.591 3.638 40 0 GHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccn2)n1 ZINC000329045958 212095065 /nfs/dbraw/zinc/09/50/65/212095065.db2.gz TYNIGPAVALYKNO-UHFFFAOYSA-N 1 0 390.535 3.975 40 0 GHABRO O=C(C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1)N1CCCc2ccccc21 ZINC000012113976 221152049 /nfs/dbraw/zinc/15/20/49/221152049.db2.gz TZCFTTAHVUFWNV-UHFFFAOYSA-N 1 0 378.472 3.574 40 0 GHABRO CC(C)(C)c1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292275 221175801 /nfs/dbraw/zinc/17/58/01/221175801.db2.gz XLFUNISZKVMDKD-HXUWFJFHSA-N 1 0 397.515 3.730 40 0 GHABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012293728 221175921 /nfs/dbraw/zinc/17/59/21/221175921.db2.gz WAINOKZUJMAMQA-VQTJNVASSA-N 1 0 389.442 3.657 40 0 GHABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c1 ZINC000012330046 221182125 /nfs/dbraw/zinc/18/21/25/221182125.db2.gz OAHMNRCHVPFMQI-VXKWHMMOSA-N 1 0 397.515 3.696 40 0 GHABRO C[NH+](C)CCCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccs2)n1 ZINC000012325478 221182182 /nfs/dbraw/zinc/18/21/82/221182182.db2.gz OTIHXELUDVDPEH-UHFFFAOYSA-N 1 0 382.489 3.964 40 0 GHABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329902 221182990 /nfs/dbraw/zinc/18/29/90/221182990.db2.gz ZLQGCNQIYZJAPZ-YADHBBJMSA-N 1 0 397.515 3.696 40 0 GHABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@@H]32)cc1 ZINC000012188393 221165460 /nfs/dbraw/zinc/16/54/60/221165460.db2.gz COWRFWZWAZCGFB-OFNKIYASSA-N 1 0 394.515 3.831 40 0 GHABRO CCc1[nH]c2ccc(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)[NH+](C)C)cc2c1C ZINC000012203714 221168487 /nfs/dbraw/zinc/16/84/87/221168487.db2.gz HISSEDXBQZJDRK-FQEVSTJZSA-N 1 0 393.487 3.800 40 0 GHABRO Cc1cc(C)n2nc(C3=CC[N@H+](C[C@@H](O)c4ccc(Cl)cc4)CC3)cc2n1 ZINC000012233111 221171538 /nfs/dbraw/zinc/17/15/38/221171538.db2.gz HTZKZMYSQRFSTK-HXUWFJFHSA-N 1 0 382.895 3.822 40 0 GHABRO c1ccc2c(c1)cccc2C[N@H+](CCCN1CCOCC1)Cc1cccnc1 ZINC000013569038 221274349 /nfs/dbraw/zinc/27/43/49/221274349.db2.gz XPALUIURMKGPEY-UHFFFAOYSA-N 1 0 375.516 3.959 40 0 GHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1)N1CCCCC1 ZINC000015673693 221339030 /nfs/dbraw/zinc/33/90/30/221339030.db2.gz HPCWJTUCAYPSQC-PMACEKPBSA-N 1 0 387.568 3.968 40 0 biogenic,in-vitro GHABRO CC(=O)N(C)C1CCC2(CC1)C[N@H+](Cc1cccnc1)Cc1ccccc1O2 ZINC000019016366 221394330 /nfs/dbraw/zinc/39/43/30/221394330.db2.gz LCXBNOHCPCWQPS-UHFFFAOYSA-N 1 0 379.504 3.636 40 0 GHABRO C[NH+]1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2N)CC1 ZINC000072229222 136167686 /nfs/dbraw/zinc/16/76/86/136167686.db2.gz PSOBQVFBZLPBIL-UHFFFAOYSA-N 1 0 379.291 3.580 40 0 GHABRO c1cc(C[NH2+][C@H]2CC3(CCN(c4ncccn4)CC3)Oc3ccccc32)co1 ZINC000096079823 136183511 /nfs/dbraw/zinc/18/35/11/136183511.db2.gz FCXXHIAZFHNRMI-IBGZPJMESA-N 1 0 376.460 3.722 40 0 GHABRO O[C@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 ZINC000022408810 221559307 /nfs/dbraw/zinc/55/93/07/221559307.db2.gz JLFDEKIBQJZANC-QFIPXVFZSA-N 1 0 399.898 3.762 40 0 GHABRO CC(C)[N@@H+]1CC[C@H](CCc2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)[C@@H](C)C1 ZINC000072335294 222230017 /nfs/dbraw/zinc/23/00/17/222230017.db2.gz DVWOIZTWUADTDU-WMZOPIPTSA-N 1 0 382.508 3.734 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072348764 222235313 /nfs/dbraw/zinc/23/53/13/222235313.db2.gz ZZVZVEMVEHQRJS-IBGZPJMESA-N 1 0 383.511 3.859 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353263 222237629 /nfs/dbraw/zinc/23/76/29/222237629.db2.gz VBPUHLNUKFNTRN-GOSISDBHSA-N 1 0 381.524 3.576 40 0 GHABRO Nc1cc(-c2c[nH]nc2[C@H]2CCCC[N@@H+]2CCOCc2ccccc2)ccn1 ZINC000072357469 222239125 /nfs/dbraw/zinc/23/91/25/222239125.db2.gz LACCEMMZDYVVJB-HXUWFJFHSA-N 1 0 377.492 3.798 40 0 GHABRO OCc1ccc(-c2cncc([C@@H]3CCC[N@H+](CCOc4ccccc4)C3)n2)cc1 ZINC000072359620 222239257 /nfs/dbraw/zinc/23/92/57/222239257.db2.gz OYMPJZVIHICOCG-OAQYLSRUSA-N 1 0 389.499 3.894 40 0 GHABRO COc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4cnc(C)s4)C3)[nH]n2)cc1 ZINC000072371793 222242101 /nfs/dbraw/zinc/24/21/01/222242101.db2.gz GNVDWOXSRZLYPJ-INIZCTEOSA-N 1 0 398.532 3.794 40 0 GHABRO Cc1cnc(C(=O)N2CCC[C@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)cn1 ZINC000072374928 222243288 /nfs/dbraw/zinc/24/32/88/222243288.db2.gz GEDNWJCFVQABEN-KRWDZBQOSA-N 1 0 388.475 3.647 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072378009 222245384 /nfs/dbraw/zinc/24/53/84/222245384.db2.gz FPWUUVYMQHOCDN-FQEVSTJZSA-N 1 0 388.475 3.911 40 0 GHABRO Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)n1 ZINC000072384486 222247324 /nfs/dbraw/zinc/24/73/24/222247324.db2.gz BSWMBKKOFKSMFT-SFHVURJKSA-N 1 0 398.482 3.722 40 0 GHABRO COCCOc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000072395569 222251180 /nfs/dbraw/zinc/25/11/80/222251180.db2.gz VCSKHIYMEVJNFE-FCHUYYIVSA-N 1 0 395.478 3.957 40 0 GHABRO Cc1cc(Cl)cc(Cl)c1OCC(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642516 222271205 /nfs/dbraw/zinc/27/12/05/222271205.db2.gz RXJCCJYYANLYQU-UHFFFAOYSA-N 1 0 378.259 3.729 40 0 GHABRO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)o1 ZINC000096215900 222398674 /nfs/dbraw/zinc/39/86/74/222398674.db2.gz LVZBGWABXOXCSZ-QHCPKHFHSA-N 1 0 381.520 3.782 40 0 GHABRO CCNc1cc2c(cc1NCC)N(CC)[C@@H]1C=C(NCC)C(=[NH+]CC)C=C1N2 ZINC000100643750 535522529 /nfs/dbraw/zinc/52/25/29/535522529.db2.gz QEEUNSVZWHMOFB-OAQYLSRUSA-N 1 0 382.556 3.832 40 0 GHABRO C[C@@]1(O)CC[N@H+](CCCc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289922 560031463 /nfs/dbraw/zinc/03/14/63/560031463.db2.gz NKHFBCMKLMJUTF-SONWIMMPSA-N 1 0 392.543 3.712 40 0 biogenic,in-vitro GHABRO CC(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000514288731 560034148 /nfs/dbraw/zinc/03/41/48/560034148.db2.gz BDWSLUHUDZKLRX-IRFCIJBXSA-N 1 0 378.582 3.967 40 0 biogenic,in-vitro GHABRO COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC000019766515 570217795 /nfs/dbraw/zinc/21/77/95/570217795.db2.gz BVQYLCOSIRGZKM-OAQYLSRUSA-N 1 0 394.519 3.661 40 0 GHABRO Clc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244103 570223727 /nfs/dbraw/zinc/22/37/27/570223727.db2.gz CUTXCCRLRSDARH-NRFANRHFSA-N 1 0 384.911 3.626 40 0 GHABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 ZINC000585270164 570239245 /nfs/dbraw/zinc/23/92/45/570239245.db2.gz HJIIRNOLPDFLPA-QFIPXVFZSA-N 1 0 386.467 3.580 40 0 GHABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585286871 570256178 /nfs/dbraw/zinc/25/61/78/570256178.db2.gz JRLQAAIYCDRRCA-SFGWALBWSA-N 1 0 379.516 3.873 40 0 GHABRO COc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)[NH+](C)C)CC2)cc1 ZINC000100750210 570276444 /nfs/dbraw/zinc/27/64/44/570276444.db2.gz FWJSYLMVJZVMIJ-JXALWOEJSA-N 1 0 395.547 3.858 40 0 GHABRO COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750251 570276617 /nfs/dbraw/zinc/27/66/17/570276617.db2.gz ZFKFRZUOEWGLBT-MDOVXXIYSA-N 1 0 387.911 3.980 40 0 GHABRO CC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669651 570367154 /nfs/dbraw/zinc/36/71/54/570367154.db2.gz BCVQJQQTPWRCME-MRXNPFEDSA-N 1 0 376.936 3.663 40 0 GHABRO CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929875 570379475 /nfs/dbraw/zinc/37/94/75/570379475.db2.gz POTUVEWKKVJUPS-QFIPXVFZSA-N 1 0 396.583 3.563 40 0 GHABRO [NH3+][C@@H](C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)[C@@H]1CCCO1 ZINC000685938865 570398181 /nfs/dbraw/zinc/39/81/81/570398181.db2.gz PTBLQLIJUVBVLS-DLBZAZTESA-N 1 0 391.265 3.686 40 0 GHABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 ZINC000222732776 570422916 /nfs/dbraw/zinc/42/29/16/570422916.db2.gz XYRZQTRYZQZELE-VQIMIIECSA-N 1 0 398.478 3.686 40 0 GHABRO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000039772350 570446508 /nfs/dbraw/zinc/44/65/08/570446508.db2.gz KQAGZCNPZDJUTQ-UHFFFAOYSA-N 1 0 386.879 3.977 40 0 GHABRO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000039772779 570446536 /nfs/dbraw/zinc/44/65/36/570446536.db2.gz OTFDUSVILLVLFM-UHFFFAOYSA-N 1 0 396.531 3.583 40 0 GHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CSc1ccc(OC)c(OC)c1 ZINC000030864234 570499655 /nfs/dbraw/zinc/49/96/55/570499655.db2.gz JMRHYGWRXVFDAP-INIZCTEOSA-N 1 0 380.554 3.567 40 0 GHABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)CC1 ZINC000224243151 570505258 /nfs/dbraw/zinc/50/52/58/570505258.db2.gz GTPXLTQTOPRBNK-UHFFFAOYSA-N 1 0 390.487 3.657 40 0 GHABRO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000224531411 570516663 /nfs/dbraw/zinc/51/66/63/570516663.db2.gz QFONKWJIZMYPLS-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO COc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740467 570568643 /nfs/dbraw/zinc/56/86/43/570568643.db2.gz CCMOBFKUFVKDRW-UHFFFAOYSA-N 1 0 386.515 3.936 40 0 GHABRO CNc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740479 570568672 /nfs/dbraw/zinc/56/86/72/570568672.db2.gz YZYOSZORPLGGGA-UHFFFAOYSA-N 1 0 385.531 3.969 40 0 GHABRO C=Cn1cc[n+](C(=C(Cl)Cl)/C(=C2\Oc3cccc(C)c3N2O)[N+](=O)[O-])c1 ZINC000004475637 570627433 /nfs/dbraw/zinc/62/74/33/570627433.db2.gz QCTWYNJDNUCZMB-JQIJEIRASA-N 1 0 396.210 3.522 40 0 GHABRO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000044852901 570636100 /nfs/dbraw/zinc/63/61/00/570636100.db2.gz MNROALBUVQOBLU-SFHVURJKSA-N 1 0 384.495 3.930 40 0 GHABRO Cc1cc(C(=O)N2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)sc1C ZINC000248092807 570721025 /nfs/dbraw/zinc/72/10/25/570721025.db2.gz WAQCPIUIHVHIMI-SFHVURJKSA-N 1 0 376.566 3.576 40 0 GHABRO COc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)[nH]n1 ZINC000257222677 570763229 /nfs/dbraw/zinc/76/32/29/570763229.db2.gz DUGWKWFZTWCPNZ-UNMCSNQZSA-N 1 0 382.508 3.564 40 0 GHABRO COc1ncc(C[N@@H+]2CCC[C@@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 ZINC000257232520 570765748 /nfs/dbraw/zinc/76/57/48/570765748.db2.gz GLFSMMPXPINWHQ-GOSISDBHSA-N 1 0 379.464 3.532 40 0 GHABRO CC(=O)Nc1nc2nc(C3CC[NH+](Cc4scnc4C)CC3)ccc2s1 ZINC000257250040 570770116 /nfs/dbraw/zinc/77/01/16/570770116.db2.gz JKSUZZVUXCISIY-UHFFFAOYSA-N 1 0 387.534 3.794 40 0 GHABRO Cc1nn(C)cc1CN1CCO[C@@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 ZINC000257253395 570770568 /nfs/dbraw/zinc/77/05/68/570770568.db2.gz JYTOHCQXBAIPGO-HSZRJFAPSA-N 1 0 394.494 3.735 40 0 GHABRO CC(C)[NH+]1CCC(Cc2nccnc2N2C(=O)OC[C@@H]2Cc2ccccc2)CC1 ZINC000257261011 570771983 /nfs/dbraw/zinc/77/19/83/570771983.db2.gz LFKDJVNRVCAVKK-FQEVSTJZSA-N 1 0 394.519 3.707 40 0 GHABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cncs1 ZINC000257271071 570773408 /nfs/dbraw/zinc/77/34/08/570773408.db2.gz MWRBYSIOMSVQPC-QMXBJOJWSA-N 1 0 381.545 3.890 40 0 GHABRO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@H+](Cc3ccccc3C)C2)nc1C ZINC000257285090 570775375 /nfs/dbraw/zinc/77/53/75/570775375.db2.gz PFPNZPNCVHYGJJ-OAQYLSRUSA-N 1 0 394.563 3.802 40 0 GHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ncccn1)[C@H]2Cc1ccccc1 ZINC000257282643 570775559 /nfs/dbraw/zinc/77/55/59/570775559.db2.gz OUPWEONVOHWKMZ-ROLQDKDTSA-N 1 0 390.531 3.565 40 0 GHABRO CN(CCOc1ccccc1)C(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257283984 570775685 /nfs/dbraw/zinc/77/56/85/570775685.db2.gz PATVBECTHJHUHV-UHFFFAOYSA-N 1 0 389.499 3.961 40 0 GHABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3cnccn3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000257328899 570782521 /nfs/dbraw/zinc/78/25/21/570782521.db2.gz XHNGLIUBRRLRAS-NWSQWKLXSA-N 1 0 378.520 3.567 40 0 GHABRO CCc1[nH]nc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)c1C ZINC000257334078 570783470 /nfs/dbraw/zinc/78/34/70/570783470.db2.gz YEKVTXATLSYJMF-QIQSYULWSA-N 1 0 392.547 3.637 40 0 GHABRO O=C1CO[C@@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccccc1F)CC2 ZINC000257339928 570783871 /nfs/dbraw/zinc/78/38/71/570783871.db2.gz ZDTXZLZRNUISSF-DEOSSOPVSA-N 1 0 396.506 3.652 40 0 GHABRO CO[C@@H]1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@]12CCCO2 ZINC000257342948 570784412 /nfs/dbraw/zinc/78/44/12/570784412.db2.gz ZQSPALMKDWGTAN-GGAORHGYSA-N 1 0 396.487 3.687 40 0 GHABRO Cc1cccc(CN2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306139151 570943943 /nfs/dbraw/zinc/94/39/43/570943943.db2.gz SQOSNPRMTWUMNQ-JOCHJYFZSA-N 1 0 385.471 3.673 40 0 GHABRO Cc1c2cc(C)ccc2oc1C(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019220431 570962884 /nfs/dbraw/zinc/96/28/84/570962884.db2.gz FSEFAWSHDPGJDX-UHFFFAOYSA-N 1 0 390.487 3.505 40 0 GHABRO COc1ccc([C@@H]2CN(C(C)=O)[C@H]3CC[N@H+](Cc4cccc(C)c4)C[C@@H]23)cc1 ZINC000019235058 570965639 /nfs/dbraw/zinc/96/56/39/570965639.db2.gz COFMHRRGLJYITH-HJOGWXRNSA-N 1 0 378.516 3.840 40 0 GHABRO Cc1ccccc1C[NH+]1CCN(c2c(F)cccc2[C@@H](O)c2nccs2)CC1 ZINC000019237234 570966840 /nfs/dbraw/zinc/96/68/40/570966840.db2.gz PSSSXIWMAQTJKS-OAQYLSRUSA-N 1 0 397.519 3.995 40 0 GHABRO Cn1c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc2cc(Cl)ccc21 ZINC000019289774 570971480 /nfs/dbraw/zinc/97/14/80/570971480.db2.gz HVQJBSULEPSJOM-UHFFFAOYSA-N 1 0 382.895 3.621 40 0 GHABRO O=c1cc(C[C@H]([NH2+]Cc2cccnc2)c2ccc(F)cc2)nc(C2CCC2)[nH]1 ZINC000019339690 570977201 /nfs/dbraw/zinc/97/72/01/570977201.db2.gz IDJAGNMYSXUWBK-FQEVSTJZSA-N 1 0 378.451 3.645 40 0 GHABRO Fc1ccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1F ZINC000019344979 570977528 /nfs/dbraw/zinc/97/75/28/570977528.db2.gz LTMYJVFLTFCUAN-AWEZNQCLSA-N 1 0 375.448 3.592 40 0 GHABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1)N1CCCC1 ZINC000019347021 570978096 /nfs/dbraw/zinc/97/80/96/570978096.db2.gz WRSCDVSYIYSHDM-IBGZPJMESA-N 1 0 390.487 3.838 40 0 GHABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)no1)N1CCCC1 ZINC000019376079 570982285 /nfs/dbraw/zinc/98/22/85/570982285.db2.gz POQNSJPWSYDTEO-SFHVURJKSA-N 1 0 390.487 3.838 40 0 GHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccs1 ZINC000019400746 570982707 /nfs/dbraw/zinc/98/27/07/570982707.db2.gz BMSUIFSKDWZQQA-RXVVDRJESA-N 1 0 392.528 3.921 40 0 GHABRO CC(C)Oc1cccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 ZINC000019450822 570985475 /nfs/dbraw/zinc/98/54/75/570985475.db2.gz AGYZUKXYROATOO-SFHVURJKSA-N 1 0 390.487 3.609 40 0 GHABRO CNc1cc([C@H]2CCC[N@H+](Cc3ccc(OC)cc3)C2)nc(-c2cccnc2)n1 ZINC000019592204 571019045 /nfs/dbraw/zinc/01/90/45/571019045.db2.gz ZYCFQFQOYUALMS-IBGZPJMESA-N 1 0 389.503 3.969 40 0 GHABRO Fc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCNC5)C3)c2)cc1 ZINC000019710976 571034820 /nfs/dbraw/zinc/03/48/20/571034820.db2.gz VGHJERBIUBTKBB-HXUWFJFHSA-N 1 0 391.494 3.567 40 0 GHABRO C[C@@H]1CCCN(c2ncc(CN(Cc3ccccc3)C3CC[NH+](C)CC3)cn2)C1 ZINC000019715680 571037379 /nfs/dbraw/zinc/03/73/79/571037379.db2.gz QDZYTGBTPMEHHW-HXUWFJFHSA-N 1 0 393.579 3.809 40 0 GHABRO Cc1nc(C)c(S(=O)(=O)N[C@@H](CC[NH+]2CCCCC2)c2ccccc2)s1 ZINC000019715986 571037948 /nfs/dbraw/zinc/03/79/48/571037948.db2.gz UKLSMMQQKXZBRD-SFHVURJKSA-N 1 0 393.578 3.656 40 0 GHABRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000047753391 839125225 /nfs/dbraw/zinc/12/52/25/839125225.db2.gz CAIBBJVTRSISRT-UHFFFAOYSA-N 1 0 397.357 3.592 40 0 GHABRO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000009062577 856409959 /nfs/dbraw/zinc/40/99/59/856409959.db2.gz BDOWMNQMNYWJMM-UHFFFAOYSA-N 1 0 380.532 3.965 40 0 GHABRO CC(=O)Nc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCCCC(=O)N3)c1 ZINC000019022882 856420881 /nfs/dbraw/zinc/42/08/81/856420881.db2.gz ZDTFBWNEURSUBZ-LADGPHEKSA-N 1 0 391.515 3.673 40 0 GHABRO c1ccc(C[N@H+]2CC[C@@H](c3ccc4c(NCc5ccccn5)n[nH]c4n3)C2)cc1 ZINC000019704411 856424831 /nfs/dbraw/zinc/42/48/31/856424831.db2.gz ALTNUSHYSRFLDW-GOSISDBHSA-N 1 0 384.487 3.955 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)c1OC ZINC000019712615 856425855 /nfs/dbraw/zinc/42/58/55/856425855.db2.gz HKRJZBXHVNTADT-MZKRTTBSSA-N 1 0 394.515 3.731 40 0 GHABRO CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCC[N@H+]2Cc1cnn(C)c1C ZINC000019712934 856427317 /nfs/dbraw/zinc/42/73/17/856427317.db2.gz PDTUXGZFKQWLAP-SMIHKQSGSA-N 1 0 394.563 3.705 40 0 GHABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2C(=O)Cc1ccccn1 ZINC000019713441 856428246 /nfs/dbraw/zinc/42/82/46/856428246.db2.gz GYOIXQLNDXPPSO-GPXNEJASSA-N 1 0 377.532 3.759 40 0 GHABRO OCC[NH+]1CCC(c2cncc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000143346340 857240944 /nfs/dbraw/zinc/24/09/44/857240944.db2.gz IXMDHZWXSIXNPV-UHFFFAOYSA-N 1 0 381.505 3.515 40 0 GHABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218571776 895858426 /nfs/dbraw/zinc/85/84/26/895858426.db2.gz WSBPFZSUIWBSBP-UFYCRDLUSA-N 1 0 393.936 3.570 40 0 GHABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000225730120 222692824 /nfs/dbraw/zinc/69/28/24/222692824.db2.gz AXJDMNZIWBKERS-HZPDHXFCSA-N 1 0 391.581 3.826 40 0 GHABRO CCC(CC)C(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccco2)nc(C)n1 ZINC000015672570 291131576 /nfs/dbraw/zinc/13/15/76/291131576.db2.gz GXTOHSQVMJIERT-OTWHNJEPSA-N 1 0 396.535 3.775 40 0 biogenic,in-vitro GHABRO C[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000226259396 212114394 /nfs/dbraw/zinc/11/43/94/212114394.db2.gz VDLSVJJOQSRLFC-UHFFFAOYSA-N 1 0 379.291 3.580 40 0 GHABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(c3ccc(F)cc3)CC1)C2 ZINC000035052917 212111530 /nfs/dbraw/zinc/11/15/30/212111530.db2.gz PCYLJSIICAVAJD-UOAUAQBLSA-N 1 0 390.543 3.540 40 0 GHABRO COc1ccc(Cl)cc1NC(=[NH2+])Nc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 ZINC000010156490 221098888 /nfs/dbraw/zinc/09/88/88/221098888.db2.gz SAXYUIKZDCZESY-UHFFFAOYSA-N 1 0 397.866 3.790 40 0 GHABRO COc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000011715897 221123591 /nfs/dbraw/zinc/12/35/91/221123591.db2.gz HQJKWOGIKJYUAC-SFHVURJKSA-N 1 0 382.504 3.765 40 0 GHABRO Cc1ccccc1C1(O)CC[NH+](Cc2cn(CCCO)c3ccccc23)CC1 ZINC000012118287 221152660 /nfs/dbraw/zinc/15/26/60/221152660.db2.gz KFAMWNJDFGXLND-UHFFFAOYSA-N 1 0 378.516 3.816 40 0 GHABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)ccc21 ZINC000012326498 221182732 /nfs/dbraw/zinc/18/27/32/221182732.db2.gz XPAIBSGIZFUMQR-RUZDIDTESA-N 1 0 392.543 3.974 40 0 GHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCC2 ZINC000012330203 221182818 /nfs/dbraw/zinc/18/28/18/221182818.db2.gz AKXALPNEXAIYSV-VXKWHMMOSA-N 1 0 397.490 3.699 40 0 GHABRO COCCOc1cc(C[N@@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)ccc1OC ZINC000012222526 221169222 /nfs/dbraw/zinc/16/92/22/221169222.db2.gz RGOZZDYEWGSRGH-IBGZPJMESA-N 1 0 381.476 3.934 40 0 GHABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1Cn1cccn1 ZINC000012240446 221171910 /nfs/dbraw/zinc/17/19/10/221171910.db2.gz NYYFVDQTXYXAGU-UHFFFAOYSA-N 1 0 395.478 3.563 40 0 GHABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CN(C(C)=O)Cc3ccccc3O2)C1 ZINC000012235564 221172075 /nfs/dbraw/zinc/17/20/75/221172075.db2.gz VQOWNOUTBHBUHD-YKSBVNFPSA-N 1 0 394.515 3.717 40 0 GHABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000012239787 221172129 /nfs/dbraw/zinc/17/21/29/221172129.db2.gz WJFJNHZZGQCDPL-FQEVSTJZSA-N 1 0 382.552 3.721 40 0 GHABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000019083696 221396328 /nfs/dbraw/zinc/39/63/28/221396328.db2.gz AGUQXDPDBFXVOG-YVWKXTFCSA-N 1 0 384.499 3.549 40 0 GHABRO CC(C)(C)c1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)[nH]n1 ZINC000019083698 221397164 /nfs/dbraw/zinc/39/71/64/221397164.db2.gz LSEGBRKABOTSLH-DSKINZAPSA-N 1 0 398.526 3.987 40 0 GHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccncc2)C1)c1cccs1 ZINC000019400767 221412471 /nfs/dbraw/zinc/41/24/71/221412471.db2.gz OGCHUPSANHBIES-GHTZIAJQSA-N 1 0 392.528 3.921 40 0 GHABRO Cc1nn([C@H](C)CC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)c1Cl ZINC000019577536 221431611 /nfs/dbraw/zinc/43/16/11/221431611.db2.gz NYXOOTGPQFKGLB-CRAIPNDOSA-N 1 0 380.964 3.971 40 0 GHABRO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CC[NH+](C)CC1 ZINC000226329779 136192625 /nfs/dbraw/zinc/19/26/25/136192625.db2.gz QBCKESLAWQZKMP-UHFFFAOYSA-N 1 0 380.536 3.879 40 0 GHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSc1ccc(OC)c(OC)c1 ZINC000030864228 221706751 /nfs/dbraw/zinc/70/67/51/221706751.db2.gz JMRHYGWRXVFDAP-MRXNPFEDSA-N 1 0 380.554 3.567 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072348761 222234498 /nfs/dbraw/zinc/23/44/98/222234498.db2.gz XRZBREMUQKEWCU-LJQANCHMSA-N 1 0 383.511 3.859 40 0 GHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353264 222237767 /nfs/dbraw/zinc/23/77/67/222237767.db2.gz NNIDNCGOWCWSTK-SFHVURJKSA-N 1 0 381.524 3.576 40 0 GHABRO COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000072350381 222237817 /nfs/dbraw/zinc/23/78/17/222237817.db2.gz MDRIHJPDCNQFQB-LJQANCHMSA-N 1 0 393.531 3.805 40 0 GHABRO O=C(C[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1)N1CCCCC1 ZINC000072359366 222239275 /nfs/dbraw/zinc/23/92/75/222239275.db2.gz FKGQUUJEIUHOIP-UHFFFAOYSA-N 1 0 398.938 3.989 40 0 GHABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000072393204 222251017 /nfs/dbraw/zinc/25/10/17/222251017.db2.gz LOUJEJPEDPEJNE-SFHVURJKSA-N 1 0 390.487 3.610 40 0 GHABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CCc2cccc(Br)c2)C1 ZINC000089223568 222327792 /nfs/dbraw/zinc/32/77/92/222327792.db2.gz LFLCLGISMPCQMA-OAHLLOKOSA-N 1 0 383.330 3.838 40 0 GHABRO O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1C[NH+]1CCCCC1 ZINC000105282033 534465047 /nfs/dbraw/zinc/46/50/47/534465047.db2.gz WZZWPKCBMGBCHR-UHFFFAOYSA-N 1 0 380.488 3.650 40 0 GHABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113950426 536045322 /nfs/dbraw/zinc/04/53/22/536045322.db2.gz NTCUPOQSPGPBII-QFIPXVFZSA-N 1 0 381.520 3.851 40 0 GHABRO Cn1cc(C(=O)NC2CCCC2)c(CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000019756729 570216288 /nfs/dbraw/zinc/21/62/88/570216288.db2.gz PAGWTVWURRNCTO-LJQANCHMSA-N 1 0 384.568 3.703 40 0 GHABRO Cc1nc(NCC2CC2)nc2c1COC[C@]21CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000096244518 570224103 /nfs/dbraw/zinc/22/41/03/570224103.db2.gz QDKABLXMNNEUCL-JOCHJYFZSA-N 1 0 398.938 3.934 40 0 GHABRO C[NH+](C)[C@H]1CCN(C(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)C1 ZINC000096266714 570227352 /nfs/dbraw/zinc/22/73/52/570227352.db2.gz IXIDBWSYQZYVEZ-SFHVURJKSA-N 1 0 391.519 3.694 40 0 GHABRO CC1CCN(C(=O)C[NH+]2CCC(c3cccc(Nc4nccs4)n3)CC2)CC1 ZINC000585262634 570230787 /nfs/dbraw/zinc/23/07/87/570230787.db2.gz LOCDWQDEKGPPAV-UHFFFAOYSA-N 1 0 399.564 3.720 40 0 GHABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000585289689 570257309 /nfs/dbraw/zinc/25/73/09/570257309.db2.gz LWWAZAFXMAZUPK-RBZQAINGSA-N 1 0 398.522 3.741 40 0 GHABRO COc1cccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)c1 ZINC000585290035 570257615 /nfs/dbraw/zinc/25/76/15/570257615.db2.gz QBOPULUPNAHJQP-PWRODBHTSA-N 1 0 375.896 3.842 40 0 GHABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216465 570317417 /nfs/dbraw/zinc/31/74/17/570317417.db2.gz ZRJYWSBOHHBXKS-LJQANCHMSA-N 1 0 388.556 3.932 40 0 GHABRO C[NH+]1CCN(CCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 ZINC000022935049 570338377 /nfs/dbraw/zinc/33/83/77/570338377.db2.gz GWSRZKRKVUTRER-DYTRJAOYSA-N 1 0 397.950 3.634 40 0 GHABRO Cc1ccc(C)c(N2CCN([C@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1 ZINC000057669762 570367035 /nfs/dbraw/zinc/36/70/35/570367035.db2.gz UOHAVMIWPYWKBH-HXUWFJFHSA-N 1 0 384.572 3.954 40 0 GHABRO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000039757690 570449108 /nfs/dbraw/zinc/44/91/08/570449108.db2.gz BJCGCMMVSIUFMT-UHFFFAOYSA-N 1 0 393.531 3.986 40 0 GHABRO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000223343545 570460376 /nfs/dbraw/zinc/46/03/76/570460376.db2.gz VDRIPAXOBJZZBA-UHFFFAOYSA-N 1 0 376.551 3.809 40 0 GHABRO COc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000224331747 570509322 /nfs/dbraw/zinc/50/93/22/570509322.db2.gz GXKVEOGSMQJISH-UHFFFAOYSA-N 1 0 382.504 3.736 40 0 GHABRO COc1ccccc1OCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000224333869 570509456 /nfs/dbraw/zinc/50/94/56/570509456.db2.gz JXOMGCYUPBYBPW-GOSISDBHSA-N 1 0 382.504 3.736 40 0 GHABRO COc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000032461902 570510780 /nfs/dbraw/zinc/51/07/80/570510780.db2.gz FJVKFYRZIMAWMU-PKNBQFBNSA-N 1 0 380.488 3.629 40 0 GHABRO S=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225212888 570556661 /nfs/dbraw/zinc/55/66/61/570556661.db2.gz PWQXIISZSKXLBY-UHFFFAOYSA-N 1 0 388.364 3.923 40 0 GHABRO CN(C)c1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740462 570568774 /nfs/dbraw/zinc/56/87/74/570568774.db2.gz WUPZYAVYNGQZNT-UHFFFAOYSA-N 1 0 399.558 3.993 40 0 GHABRO Cc1nccn1Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000038831781 570584654 /nfs/dbraw/zinc/58/46/54/570584654.db2.gz FGCNUJVQZBFGKX-UHFFFAOYSA-N 1 0 388.515 3.766 40 0 GHABRO COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038851861 570588278 /nfs/dbraw/zinc/58/82/78/570588278.db2.gz MDULKIRJYZNTNK-SFHVURJKSA-N 1 0 384.451 3.771 40 0 GHABRO COC(=O)c1cc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000225737000 570611201 /nfs/dbraw/zinc/61/12/01/570611201.db2.gz YIARAPCHLMYEFN-CYBMUJFWSA-N 1 0 383.945 3.535 40 0 GHABRO COc1cc(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)cc2c1OCO2 ZINC000043277853 570627288 /nfs/dbraw/zinc/62/72/88/570627288.db2.gz DXLWVXIFSACCHQ-UHFFFAOYSA-N 1 0 397.450 3.852 40 0 GHABRO COc1ccc(CSCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044857218 570637145 /nfs/dbraw/zinc/63/71/45/570637145.db2.gz CHCWDCPKDZBISH-UHFFFAOYSA-N 1 0 384.545 3.841 40 0 GHABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cncs1 ZINC000257271072 570773637 /nfs/dbraw/zinc/77/36/37/570773637.db2.gz MWRBYSIOMSVQPC-QTKAYYCXSA-N 1 0 381.545 3.890 40 0 GHABRO Cc1nc2cc([C@@H]3CCC[N@H+]3C(C)C)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257280305 570774874 /nfs/dbraw/zinc/77/48/74/570774874.db2.gz OKIQTRPSKWQHTE-NRFANRHFSA-N 1 0 397.567 3.883 40 0 GHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(-c3ccccc3F)no1)C2 ZINC000257278499 570775063 /nfs/dbraw/zinc/77/50/63/570775063.db2.gz OCMHDALPVNAZIM-SHXMKPCDSA-N 1 0 383.467 3.958 40 0 GHABRO Cn1ccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257289269 570776394 /nfs/dbraw/zinc/77/63/94/570776394.db2.gz PXWJLFBITRHSSX-NABGWTBKSA-N 1 0 392.547 3.509 40 0 GHABRO CCc1nccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257307028 570778904 /nfs/dbraw/zinc/77/89/04/570778904.db2.gz SWYBPHYOBIDPCR-IBGZPJMESA-N 1 0 396.466 3.917 40 0 GHABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnco1 ZINC000257310006 570779794 /nfs/dbraw/zinc/77/97/94/570779794.db2.gz UDHZZGSAXZHBDL-SLIDZQALSA-N 1 0 379.504 3.763 40 0 GHABRO C[N@@H+]1CCN(C(=O)CCC2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257333746 570783511 /nfs/dbraw/zinc/78/35/11/570783511.db2.gz YCXJNYKGJPCBAE-LJQANCHMSA-N 1 0 380.536 3.533 40 0 GHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2F)CC1 ZINC000257202138 570887744 /nfs/dbraw/zinc/88/77/44/570887744.db2.gz AKQJVCYMGPJCCQ-BSRJHKFKSA-N 1 0 383.511 3.989 40 0 GHABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1C[C@H]1CCCO1 ZINC000585099818 570925896 /nfs/dbraw/zinc/92/58/96/570925896.db2.gz CLQKNKRDZVNVIB-VWNXMTODSA-N 1 0 382.548 3.701 40 0 GHABRO Cc1ccc2ncc(C[NH+]3CCC4(CC(NC(=O)OCC(C)C)C4)CC3)n2c1 ZINC000585103499 570932258 /nfs/dbraw/zinc/93/22/58/570932258.db2.gz PGMFFQBYSABQRH-UHFFFAOYSA-N 1 0 384.524 3.770 40 0 GHABRO Cc1ccccc1C[N@H+]1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104818 570934046 /nfs/dbraw/zinc/93/40/46/570934046.db2.gz ULILCLOYLJCCFZ-RDPSFJRHSA-N 1 0 378.516 3.807 40 0 GHABRO O=C(CCc1ccccc1)N1CCC2(C[C@H](C[NH+]3CCC(F)(F)CC3)O2)CC1 ZINC000306126101 570936739 /nfs/dbraw/zinc/93/67/39/570936739.db2.gz DMYLXEFNEIRWQB-LJQANCHMSA-N 1 0 392.490 3.500 40 0 GHABRO CN1CC[N@H+](Cc2cccs2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306127780 570938056 /nfs/dbraw/zinc/93/80/56/570938056.db2.gz GHLKVRSRGMBQGU-NRFANRHFSA-N 1 0 389.528 3.947 40 0 GHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306131492 570939895 /nfs/dbraw/zinc/93/98/95/570939895.db2.gz KGKATXHBRWBYCU-IBGZPJMESA-N 1 0 391.519 3.718 40 0 GHABRO Fc1ccccc1-c1ccc2nnc(C3CC[NH+](Cc4ccoc4)CC3)n2n1 ZINC000306132930 570940563 /nfs/dbraw/zinc/94/05/63/570940563.db2.gz LWQHBFOEIKLQLL-UHFFFAOYSA-N 1 0 377.423 3.903 40 0 GHABRO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccs2)c1 ZINC000306139699 570944308 /nfs/dbraw/zinc/94/43/08/570944308.db2.gz TXYROJXOXSRKAE-LEWJYISDSA-N 1 0 393.512 3.640 40 0 GHABRO c1csc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306141202 570945314 /nfs/dbraw/zinc/94/53/14/570945314.db2.gz VOGLCUFDWGMXHA-NRFANRHFSA-N 1 0 395.484 3.515 40 0 GHABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ncccc2C)c(OC)c1 ZINC000019237690 570967534 /nfs/dbraw/zinc/96/75/34/570967534.db2.gz NCJRGAYLHHSTFT-LIMIJEPZSA-N 1 0 382.504 3.527 40 0 GHABRO Cc1nccn1C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019287741 570970474 /nfs/dbraw/zinc/97/04/74/570970474.db2.gz RYGJOUONLVUSTM-MSYGRNIXSA-N 1 0 394.563 3.697 40 0 GHABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)cc1 ZINC000019554944 571002892 /nfs/dbraw/zinc/00/28/92/571002892.db2.gz FENXDSZYDKATNN-HSZRJFAPSA-N 1 0 393.531 3.960 40 0 GHABRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cc(F)ccc2OC)cc1OC ZINC000019559137 571004928 /nfs/dbraw/zinc/00/49/28/571004928.db2.gz GIGZBXOXQFJCKF-QZTJIDSGSA-N 1 0 375.440 3.722 40 0 GHABRO CN1CC[N@H+](Cc2cccnc2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019589484 571017440 /nfs/dbraw/zinc/01/74/40/571017440.db2.gz UCBMCBINWADIHK-NRFANRHFSA-N 1 0 391.540 3.943 40 0 GHABRO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019689535 571028672 /nfs/dbraw/zinc/02/86/72/571028672.db2.gz HZSJIJIQZZKRTA-FQEVSTJZSA-N 1 0 376.508 3.589 40 0 GHABRO Fc1cccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCNC5)C3)cc2)c1 ZINC000019711041 571035229 /nfs/dbraw/zinc/03/52/29/571035229.db2.gz GAYRYCUUGIHFEM-FQEVSTJZSA-N 1 0 391.494 3.567 40 0 GHABRO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CC(=O)Nc2ccccc21 ZINC000009063256 856410239 /nfs/dbraw/zinc/41/02/39/856410239.db2.gz MHVDBLFPKCPNEX-UHFFFAOYSA-N 1 0 383.879 3.537 40 0 GHABRO COc1ccc(CN2CC[C@@H]3[NH2+]CCCCC[C@H]32)cc1Cc1c(C)noc1C ZINC000019712499 856425881 /nfs/dbraw/zinc/42/58/81/856425881.db2.gz FJDIORYBZFOOAN-FCHUYYIVSA-N 1 0 383.536 3.997 40 0 GHABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000242701916 863022173 /nfs/dbraw/zinc/02/21/73/863022173.db2.gz WSBPFZSUIWBSBP-VAMGGRTRSA-N 1 0 393.936 3.570 40 0 GHABRO O=C(CCc1ccc2c(c1)OCCO2)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224695536 222661784 /nfs/dbraw/zinc/66/17/84/222661784.db2.gz KIIZOXJGUHJSQG-UHFFFAOYSA-N 1 0 394.515 3.693 40 0 GHABRO Cc1nc(C2CC[NH+](C(C)C)CC2)cc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1 ZINC000257311460 222774067 /nfs/dbraw/zinc/77/40/67/222774067.db2.gz UJOBBABCGPYLSE-FQEVSTJZSA-N 1 0 394.519 3.941 40 0 GHABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccs3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306124228 222793221 /nfs/dbraw/zinc/79/32/21/222793221.db2.gz BJVXEPXYYFNYCE-UGKGYDQZSA-N 1 0 398.576 3.754 40 0 GHABRO CC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635473 291130143 /nfs/dbraw/zinc/13/01/43/291130143.db2.gz SNEFWFVDGZYPMK-NNWRFLSQSA-N 1 0 388.515 3.554 40 0 biogenic,in-vitro GHABRO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@@H+](C3CCCCC3)CCN21 ZINC000253396089 212136318 /nfs/dbraw/zinc/13/63/18/212136318.db2.gz CZUDMPHTFVVCML-FQEVSTJZSA-N 1 0 389.971 3.893 40 0 biogenic,in-vitro GHABRO Cc1cc(N2CCCCC2)nc(N2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)[nH+]1 ZINC000013561577 212116888 /nfs/dbraw/zinc/11/68/88/212116888.db2.gz LWCCEVPIEREIJB-DETIRCLXSA-N 1 0 396.510 3.933 40 0 GHABRO CC[C@@H](C)Nc1nc(N2CCc3ccc(Br)cc3C2)cc(C)[nH+]1 ZINC000329025697 212094030 /nfs/dbraw/zinc/09/40/30/212094030.db2.gz PHWIDYNPEDUAJI-GFCCVEGCSA-N 1 0 375.314 3.743 40 0 GHABRO CC[NH+](CC)C[C@H](OC)[C@@H](COC)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004792375 220766881 /nfs/dbraw/zinc/76/68/81/220766881.db2.gz LZLUKZHCUAXOJV-FCHUYYIVSA-N 1 0 399.531 3.734 40 0 GHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000010544056 221104808 /nfs/dbraw/zinc/10/48/08/221104808.db2.gz NVIOCQOGJZGUAS-BETUJISGSA-N 1 0 379.353 3.640 40 0 GHABRO C=Cn1ncc(C[NH+]2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)c1C ZINC000012123203 221155747 /nfs/dbraw/zinc/15/57/47/221155747.db2.gz GSAHVALBFHUVGP-UHFFFAOYSA-N 1 0 393.539 3.594 40 0 GHABRO COc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc1Cn1cccn1 ZINC000012292802 221176022 /nfs/dbraw/zinc/17/60/22/221176022.db2.gz FXCZFWXPRHADDL-UHFFFAOYSA-N 1 0 391.515 3.732 40 0 GHABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012292473 221176359 /nfs/dbraw/zinc/17/63/59/221176359.db2.gz SBNWZUGLFDAPCK-IBGZPJMESA-N 1 0 395.421 3.731 40 0 GHABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000012329905 221182268 /nfs/dbraw/zinc/18/22/68/221182268.db2.gz ZLQGCNQIYZJAPZ-FGZHOGPDSA-N 1 0 397.515 3.696 40 0 GHABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c1 ZINC000012330038 221182597 /nfs/dbraw/zinc/18/25/97/221182597.db2.gz OAHMNRCHVPFMQI-YADHBBJMSA-N 1 0 397.515 3.696 40 0 GHABRO CCn1c2ccc(C[N@@H+](Cc3ccc(C)s3)C[C@H](C)O)cc2n(CC)c1=O ZINC000012185888 221164212 /nfs/dbraw/zinc/16/42/12/221164212.db2.gz XLYFEQMMVSBHCI-HNNXBMFYSA-N 1 0 387.549 3.596 40 0 GHABRO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000012201727 221166477 /nfs/dbraw/zinc/16/64/77/221166477.db2.gz YQBSTLBFNOHDKS-HXUWFJFHSA-N 1 0 388.870 3.563 40 0 GHABRO COCCOc1cc(C[N@@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)ccc1OC ZINC000012222525 221168951 /nfs/dbraw/zinc/16/89/51/221168951.db2.gz RGOZZDYEWGSRGH-LJQANCHMSA-N 1 0 381.476 3.934 40 0 GHABRO COc1ncc(C[N@@H+]2[C@@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012408040 221189898 /nfs/dbraw/zinc/18/98/98/221189898.db2.gz DRDUKHPRXXCAAB-YXJHDRRASA-N 1 0 393.409 3.936 40 0 GHABRO CCn1c2ccc(-c3cncn3CCC[NH+]3CCCCC3)cc2n(CC)c1=O ZINC000019719657 221446678 /nfs/dbraw/zinc/44/66/78/221446678.db2.gz XXJVABQDFDRVGR-UHFFFAOYSA-N 1 0 381.524 3.582 40 0 GHABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000057762053 222036637 /nfs/dbraw/zinc/03/66/37/222036637.db2.gz QRMFOXCNQJVINU-INIZCTEOSA-N 1 0 383.492 3.567 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)CC1 ZINC000072350396 222237230 /nfs/dbraw/zinc/23/72/30/222237230.db2.gz DSCOFTZNBXSECW-FQEVSTJZSA-N 1 0 395.522 3.859 40 0 GHABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)CC1 ZINC000072350376 222238216 /nfs/dbraw/zinc/23/82/16/222238216.db2.gz KMGRUOIYCFMLDD-SFHVURJKSA-N 1 0 381.495 3.936 40 0 GHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 ZINC000072363011 222240967 /nfs/dbraw/zinc/24/09/67/222240967.db2.gz ZNFQJHFWODEQLN-LJQANCHMSA-N 1 0 394.519 3.768 40 0 GHABRO Cc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000072363246 222241170 /nfs/dbraw/zinc/24/11/70/222241170.db2.gz YUCMQQILWXIEBR-LJQANCHMSA-N 1 0 394.519 3.625 40 0 GHABRO CC(C)c1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccnn4C)C3)[nH]n2)cc1 ZINC000072371591 222242148 /nfs/dbraw/zinc/24/21/48/222242148.db2.gz WEXMRYIFFWXAJA-LJQANCHMSA-N 1 0 393.535 3.878 40 0 GHABRO Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000072377102 222245435 /nfs/dbraw/zinc/24/54/35/222245435.db2.gz HEUDZAVUMAAHJG-GOSISDBHSA-N 1 0 399.926 3.529 40 0 GHABRO O=c1cc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392714 222249517 /nfs/dbraw/zinc/24/95/17/222249517.db2.gz JIUDIFHIOZZWER-UHFFFAOYSA-N 1 0 382.414 3.902 40 0 GHABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)s1 ZINC000096051626 222374167 /nfs/dbraw/zinc/37/41/67/222374167.db2.gz QLQPNPZNOFMORC-IBGZPJMESA-N 1 0 390.574 3.780 40 0 GHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)[C@H](C)c3ccccc3)n(C)n2)CC1 ZINC000100687697 222461558 /nfs/dbraw/zinc/46/15/58/222461558.db2.gz ZRPGULSCSIITAH-GGPKGHCWSA-N 1 0 382.552 3.675 40 0 GHABRO CC[C@@H](C)Nc1nc(NCc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328965970 529357627 /nfs/dbraw/zinc/35/76/27/529357627.db2.gz CHOKCPVPUGWSIY-GFCCVEGCSA-N 1 0 375.314 3.783 40 0 GHABRO CCC[NH+]1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn42)CCCC3)CC1 ZINC000004980624 534930703 /nfs/dbraw/zinc/93/07/03/534930703.db2.gz VQJBQLBRLOZCLH-UHFFFAOYSA-N 1 0 393.510 3.946 40 0 GHABRO CC(C)CC[NH2+][C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(C(C)C)cc3)CO[C@H]12 ZINC000004236504 560197644 /nfs/dbraw/zinc/19/76/44/560197644.db2.gz OFZIELQSRWGIKD-MTQWCTHYSA-N 1 0 376.497 3.529 40 0 biogenic,in-vitro GHABRO O=c1c(-c2cncnc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc3ccccc3o2)C1 ZINC000004237336 560197744 /nfs/dbraw/zinc/19/77/44/560197744.db2.gz PVIZBZXWJRIXFX-FUHWJXTLSA-N 1 0 398.466 3.671 40 0 biogenic,in-vitro GHABRO OCC[NH+]1CCC(c2cccc(Nc3ncc(CC(F)(F)F)s3)n2)CC1 ZINC000585263101 570231756 /nfs/dbraw/zinc/23/17/56/570231756.db2.gz KANMUQOSHAGVQG-UHFFFAOYSA-N 1 0 386.443 3.558 40 0 GHABRO O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021973045 570300791 /nfs/dbraw/zinc/30/07/91/570300791.db2.gz PRGXNFHIIGLOLG-UHFFFAOYSA-N 1 0 380.488 3.650 40 0 GHABRO Clc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000107248569 570309009 /nfs/dbraw/zinc/30/90/09/570309009.db2.gz ANNRKDDJFRFZTF-QFIPXVFZSA-N 1 0 392.890 3.866 40 0 GHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)C1 ZINC000219239710 570350527 /nfs/dbraw/zinc/35/05/27/570350527.db2.gz LLCOUXMZNXWMAF-QGZVFWFLSA-N 1 0 390.487 3.899 40 0 GHABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000222717395 570422228 /nfs/dbraw/zinc/42/22/28/570422228.db2.gz UWLIPSNJFACVHB-MRXNPFEDSA-N 1 0 398.478 3.686 40 0 GHABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1C(=O)c1ccccc1 ZINC000005681726 570451283 /nfs/dbraw/zinc/45/12/83/570451283.db2.gz NRVVTWYCFPNSTQ-SIKLNZKXSA-N 1 0 376.500 3.912 40 0 GHABRO O=C(NCCC[NH+]1CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223371817 570462250 /nfs/dbraw/zinc/46/22/50/570462250.db2.gz FUFABEVDAKYOTB-JZJYNLBNSA-N 1 0 397.544 3.511 40 0 GHABRO O=S(=O)(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000224664017 570523154 /nfs/dbraw/zinc/52/31/54/570523154.db2.gz QXHWNSHKIPQEIW-UHFFFAOYSA-N 1 0 378.925 3.804 40 0 GHABRO C[NH2+]CCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008376993 570530113 /nfs/dbraw/zinc/53/01/13/570530113.db2.gz GSYAKLLWLWVVSC-UHFFFAOYSA-N 1 0 381.289 3.866 40 0 GHABRO Cc1nccn1Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224804531 570531328 /nfs/dbraw/zinc/53/13/28/570531328.db2.gz PKOVENBAUJONMG-UHFFFAOYSA-N 1 0 388.515 3.766 40 0 GHABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000225055414 570545798 /nfs/dbraw/zinc/54/57/98/570545798.db2.gz HEABMAJLEZGJSB-UHFFFAOYSA-N 1 0 395.528 3.759 40 0 GHABRO COC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1C ZINC000038858177 570588516 /nfs/dbraw/zinc/58/85/16/570588516.db2.gz KYSMFNSKBCOEME-KRWDZBQOSA-N 1 0 384.451 3.771 40 0 GHABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@H]2CCOCc1ccncc1 ZINC000248067002 570720536 /nfs/dbraw/zinc/72/05/36/570720536.db2.gz XIKRTKUQVMPESL-LJQANCHMSA-N 1 0 387.549 3.825 40 0 GHABRO COc1ncc(C[NH+]2CCC(c3ccnc(-c4c(C)noc4C)c3)CC2)cn1 ZINC000257206633 570760522 /nfs/dbraw/zinc/76/05/22/570760522.db2.gz BEHDWBZFHVQJES-UHFFFAOYSA-N 1 0 379.464 3.532 40 0 GHABRO CCOc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)[nH]n1 ZINC000257236005 570767088 /nfs/dbraw/zinc/76/70/88/570767088.db2.gz HAKYLIDYPIJJTQ-GMAHTHKFSA-N 1 0 396.535 3.954 40 0 GHABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cccnc2NC)C1 ZINC000257245098 570769427 /nfs/dbraw/zinc/76/94/27/570769427.db2.gz IOBMWTIKOJVVCP-AWEZNQCLSA-N 1 0 380.517 3.687 40 0 GHABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccno1 ZINC000257255822 570770944 /nfs/dbraw/zinc/77/09/44/570770944.db2.gz KIZXXTADNOKYRW-SLIDZQALSA-N 1 0 379.504 3.763 40 0 GHABRO COc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)[N@@H+]4C)on2)cc1 ZINC000257312994 570779781 /nfs/dbraw/zinc/77/97/81/570779781.db2.gz UQOKEZDWHVZOJB-GCUYEVCFSA-N 1 0 395.503 3.828 40 0 GHABRO CCc1ccc([C@@H]2OCC[C@@]3(NC(C)=O)[C@H]2C[C@@H]2C[C@H]3[C@@H](C)[NH2+]C2(C)C)cc1 ZINC000257330652 570782987 /nfs/dbraw/zinc/78/29/87/570782987.db2.gz XPIGRECWXHTRPQ-KREBNATDSA-N 1 0 384.564 3.998 40 0 GHABRO COc1cccc(C(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)[NH+](C)C)CC2)c1 ZINC000257260592 570896893 /nfs/dbraw/zinc/89/68/93/570896893.db2.gz LDMWXTFTKNUZFH-JBYIUTFZSA-N 1 0 381.520 3.929 40 0 GHABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@@H]2CCOCc1cccnc1 ZINC000585103959 570929595 /nfs/dbraw/zinc/92/95/95/570929595.db2.gz FCDGUGNOKUFNOA-IBGZPJMESA-N 1 0 387.549 3.825 40 0 GHABRO COC[C@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](CC1CCCC1)CC2 ZINC000585103302 570932072 /nfs/dbraw/zinc/93/20/72/570932072.db2.gz OCLZTPPCGRCBPL-LJQANCHMSA-N 1 0 376.566 3.739 40 0 GHABRO O=C1C[C@H]2[C@H](CC[N@@H+]2CC2CCCCC2)N1Cc1ccc(-n2cccn2)cc1 ZINC000585109004 570941105 /nfs/dbraw/zinc/94/11/05/570941105.db2.gz MKCIZBYJYMRYBK-VXKWHMMOSA-N 1 0 378.520 3.628 40 0 GHABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306135117 570941459 /nfs/dbraw/zinc/94/14/59/570941459.db2.gz OIKUSWBVSHVTNI-NRFANRHFSA-N 1 0 381.501 3.795 40 0 GHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306135887 570942204 /nfs/dbraw/zinc/94/22/04/570942204.db2.gz PDUYEIZEDZKVJX-YADHBBJMSA-N 1 0 393.437 3.848 40 0 GHABRO Cc1cccc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306135958 570942808 /nfs/dbraw/zinc/94/28/08/570942808.db2.gz PFEDJRCSXJHMFF-QFIPXVFZSA-N 1 0 389.547 3.732 40 0 GHABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)c1 ZINC000306139701 570944325 /nfs/dbraw/zinc/94/43/25/570944325.db2.gz TXYROJXOXSRKAE-RTWAWAEBSA-N 1 0 393.512 3.640 40 0 GHABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc1 ZINC000306139799 570944349 /nfs/dbraw/zinc/94/43/49/570944349.db2.gz UAWYEGHIEVFEAC-GOSISDBHSA-N 1 0 379.483 3.848 40 0 GHABRO CCOc1ccc(C[NH+]2CCC(c3nnc4ncc(C5CC5)cn43)CC2)cc1 ZINC000306140469 570944688 /nfs/dbraw/zinc/94/46/88/570944688.db2.gz UULRGZYZYOQTSH-UHFFFAOYSA-N 1 0 377.492 3.780 40 0 GHABRO [NH3+]CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)SCc1ccccc1 ZINC000004535925 570950178 /nfs/dbraw/zinc/95/01/78/570950178.db2.gz FIWAQJRIROPAEC-LJQANCHMSA-N 1 0 386.517 3.870 40 0 GHABRO COCc1ccc(OC)c(C[NH+]2CCC(c3cc4ncc(C)nc4[nH]3)CC2)c1 ZINC000019239388 570968889 /nfs/dbraw/zinc/96/88/89/570968889.db2.gz SBISZRAJHLIPHR-UHFFFAOYSA-N 1 0 380.492 3.801 40 0 GHABRO Cc1nccn1C[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019287740 570970612 /nfs/dbraw/zinc/97/06/12/570970612.db2.gz RYGJOUONLVUSTM-IITNATTFSA-N 1 0 394.563 3.697 40 0 GHABRO O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019401682 570982881 /nfs/dbraw/zinc/98/28/81/570982881.db2.gz RMRSIAVSGZIJCA-QGZVFWFLSA-N 1 0 394.450 3.518 40 0 GHABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019503693 570993405 /nfs/dbraw/zinc/99/34/05/570993405.db2.gz MUEBAMAWGUGYHH-SFHVURJKSA-N 1 0 378.476 3.742 40 0 GHABRO CCOC(=O)C1(C[C@@H]2CC(c3ccccc3C)=NO2)CC[NH+](CC2CC2)CC1 ZINC000019530193 570998773 /nfs/dbraw/zinc/99/87/73/570998773.db2.gz JFRGYYZTCTWUGI-IBGZPJMESA-N 1 0 384.520 3.933 40 0 GHABRO CCOc1cc(C[NH+]2CCC([C@H](NC(C)=O)c3ccccn3)CC2)ccc1OC ZINC000019531930 570999317 /nfs/dbraw/zinc/99/93/17/570999317.db2.gz UMVPAKHPSSSIQO-QHCPKHFHSA-N 1 0 397.519 3.578 40 0 GHABRO COc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)[nH]n2)c1 ZINC000019566575 571008140 /nfs/dbraw/zinc/00/81/40/571008140.db2.gz RCWMXLRHWCWDMK-GOSISDBHSA-N 1 0 382.508 3.566 40 0 GHABRO COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CC1 ZINC000019570546 571009726 /nfs/dbraw/zinc/00/97/26/571009726.db2.gz GRQHMHMIQCTZAU-ACRUOGEOSA-N 1 0 396.556 3.983 40 0 GHABRO COc1ccccc1C[NH+]1CCC([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019570090 571009769 /nfs/dbraw/zinc/00/97/69/571009769.db2.gz TXCFIMYIWUMDIH-JOCHJYFZSA-N 1 0 379.504 3.570 40 0 GHABRO CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1ccc2c(c1)OCCO2 ZINC000019589288 571016699 /nfs/dbraw/zinc/01/66/99/571016699.db2.gz PLENEFXMLXMQOH-TXTKFYIRSA-N 1 0 382.479 3.659 40 0 GHABRO CNc1cc(CN(C)Cc2ccccc2OCC(C)C)nc(C2CC[NH2+]CC2)n1 ZINC000019710173 571034214 /nfs/dbraw/zinc/03/42/14/571034214.db2.gz GBUGNJAJMHVFNZ-UHFFFAOYSA-N 1 0 397.567 3.652 40 0 GHABRO Cc1nc2c(C)cccn2c1C(=O)Nc1cc(C)ccc1OCC[NH+]1CCCC1 ZINC000019716780 571038612 /nfs/dbraw/zinc/03/86/12/571038612.db2.gz XMWSVJRVCNZKDB-UHFFFAOYSA-N 1 0 392.503 3.986 40 0 GHABRO