smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)C[N@H+](C)C[C@H]2c1ccc(F)c(F)c1 ZINC000095564213 185010414 /nfs/dbraw/zinc/01/04/14/185010414.db2.gz WUPUWAHXLJUMFK-HNNXBMFYSA-N 1 0 273.326 3.851 1 0 CHAFRO CCCC[N@H+](CCC)[C@H]1CCc2c(O)cccc2C1 ZINC000169329499 188659021 /nfs/dbraw/zinc/65/90/21/188659021.db2.gz DYWAGRSIZYRAAF-HNNXBMFYSA-N 1 0 261.409 3.762 1 0 CHAFRO c1c2ccccc2sc1C[C@H]1C[NH+]2CCC1CC2 ZINC000003992149 169927476 /nfs/dbraw/zinc/92/74/76/169927476.db2.gz ZOGYPQAMAFELAL-AWEZNQCLSA-N 1 0 257.402 3.786 1 0 CHAFRO CC[C@@H]1C[C@@H]2CC[N@@H+]1[C@H]([C@@H](O)c1ccnc3ccccc31)C2 ZINC000005138669 170070032 /nfs/dbraw/zinc/07/00/32/170070032.db2.gz YGSPYMMGHMAUNZ-FTUNRGFVSA-N 1 0 296.414 3.531 1 0 CHAFRO Clc1ccc2c(c1)C[C@H]1C[N+]3=C(CCCCC3)C1=C2 ZINC000006010133 170168424 /nfs/dbraw/zinc/16/84/24/170168424.db2.gz UGIIMKYLUXQQKZ-AWEZNQCLSA-N 1 0 272.799 3.937 1 0 CHAFRO CCC[N@@H+]1C[C@H](C)C[C@@H]2c3cc(O)ccc3CC[C@H]21 ZINC000028010181 171544455 /nfs/dbraw/zinc/54/44/55/171544455.db2.gz UNYMVKLXEJXUAW-CSMYWGQOSA-N 1 0 259.393 3.542 1 0 CHAFRO Cn1cc[n+](C)c1/C=C/c1ccc(-c2ccccc2Cl)o1 ZINC000038818144 174156451 /nfs/dbraw/zinc/15/64/51/174156451.db2.gz YJUINIRWLLUPKA-CSKARUKUSA-N 1 0 299.781 3.933 1 0 CHAFRO Cn1cc[n+](C)c1/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000040395491 174252844 /nfs/dbraw/zinc/25/28/44/174252844.db2.gz LHLYGUGRTOCWHM-CSKARUKUSA-N 1 0 299.781 3.933 1 0 CHAFRO Cc1ccc(N)cc1Nc1[nH]cc(-c2ccccc2)[nH+]1 ZINC000040423166 174258474 /nfs/dbraw/zinc/25/84/74/174258474.db2.gz POKQWGFGJYFGQG-UHFFFAOYSA-N 1 0 264.332 3.711 1 0 CHAFRO C[NH2+]CCN(c1ccccc1)c1ccc2[nH]ccc2c1 ZINC000042921005 174916616 /nfs/dbraw/zinc/91/66/16/174916616.db2.gz RIMYGAIUGCFOTN-UHFFFAOYSA-N 1 0 265.360 3.525 1 0 CHAFRO Cc1ccc(Oc2ncccc2C2CC[NH2+]CC2)c(F)c1 ZINC000045367275 175363363 /nfs/dbraw/zinc/36/33/63/175363363.db2.gz QNOVJSGRCXZVAL-UHFFFAOYSA-N 1 0 286.350 3.788 1 0 CHAFRO NC(=[NH2+])Nc1ccc(SCc2ccc(Cl)cc2)cc1 ZINC000071332819 176126006 /nfs/dbraw/zinc/12/60/06/176126006.db2.gz NUYDBTJXXYSMCF-UHFFFAOYSA-N 1 0 291.807 3.938 1 0 CHAFRO CCCc1[nH]c2cc(Br)ccc2c1CC[NH2+]C ZINC000072127763 176321365 /nfs/dbraw/zinc/32/13/65/176321365.db2.gz SBLGIAMJLYZPGF-UHFFFAOYSA-N 1 0 295.224 3.645 1 0 CHAFRO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H]2C)co1 ZINC000072182028 176335022 /nfs/dbraw/zinc/33/50/22/176335022.db2.gz IXARLFTZARDRFD-CYBMUJFWSA-N 1 0 256.349 3.634 1 0 CHAFRO CC(C)=CC[N@@H+]1[C@H](C)c2cccc3[nH]c(=O)n(c32)[C@@H](C)[C@H]1C ZINC000049112813 519430780 /nfs/dbraw/zinc/43/07/80/519430780.db2.gz WCYMGZLIZILJBZ-HZSPNIEDSA-N 1 0 299.418 3.622 1 0 CHAFRO C[n+]1cc2c(c3ccccc31)Nc1ccc(O)cc1S2 ZINC000064446782 525397442 /nfs/dbraw/zinc/39/74/42/525397442.db2.gz XMHUNTLJGBCRFC-UHFFFAOYSA-O 1 0 281.360 3.578 1 0 CHAFRO CC[NH+](CC)CCCCOc1cccc2ncccc21 ZINC000095597333 185015100 /nfs/dbraw/zinc/01/51/00/185015100.db2.gz KKLRHICUUCLDLY-UHFFFAOYSA-N 1 0 272.392 3.736 1 0 CHAFRO COC[C@H](c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000096914807 185129336 /nfs/dbraw/zinc/12/93/36/185129336.db2.gz WPCVCSGUWPHUIG-SFHVURJKSA-N 1 0 269.388 3.569 1 0 CHAFRO CC[NH2+][C@@H](C)c1cc2c(cc1OC)OC(C)(C)C=C2 ZINC000096932075 185132343 /nfs/dbraw/zinc/13/23/43/185132343.db2.gz XQFPFHVZDSXBPM-NSHDSACASA-N 1 0 261.365 3.550 1 0 CHAFRO CC[NH+](CC)C[C@@H](O)c1cc(Cl)cc2c(C)ccnc21 ZINC000169338291 188659504 /nfs/dbraw/zinc/65/95/04/188659504.db2.gz ICUHVCQMRSIHEY-OAHLLOKOSA-N 1 0 292.810 3.572 1 0 CHAFRO Cc1[nH]c2ccc(Cl)cc2c1SC1CC[NH2+]CC1 ZINC000000006050 169505070 /nfs/dbraw/zinc/50/50/70/169505070.db2.gz UZZWEFYPDDPBSJ-UHFFFAOYSA-N 1 0 280.824 3.974 1 0 CHAFRO CSC(=Cc1c2ccccc2cc[n+]1C)SC ZINC000005764926 170138574 /nfs/dbraw/zinc/13/85/74/170138574.db2.gz AQBKKWPYMGJKNZ-UHFFFAOYSA-N 1 0 262.423 3.689 1 0 CHAFRO C[N@@H+]1CC[C@@H]2c3ccccc3C(c3ccccc3)=C2C1 ZINC000005966641 170163530 /nfs/dbraw/zinc/16/35/30/170163530.db2.gz BLHVBCNLGBEOEO-MRXNPFEDSA-N 1 0 261.368 3.921 1 0 CHAFRO COc1ccc([C@H]2[C@H](C)C3=[NH+]c4ccccc4CN32)cc1 ZINC000006019746 170168969 /nfs/dbraw/zinc/16/89/69/170168969.db2.gz BFXLMRQSCUXJMN-YVEFUNNKSA-N 1 0 278.355 3.932 1 0 CHAFRO C[NH+](C)CCC[C@@]12CCCCC1=Nc1ccccc12 ZINC000006371957 170195769 /nfs/dbraw/zinc/19/57/69/170195769.db2.gz HVKJPXSPPGSOPY-QGZVFWFLSA-N 1 0 256.393 3.926 1 0 CHAFRO C[C@@H]([NH3+])Cc1ccc(CCCc2ccccc2)cc1 ZINC000013809622 170596601 /nfs/dbraw/zinc/59/66/01/170596601.db2.gz OIVQZTSVUCKKLN-OAHLLOKOSA-N 1 0 253.389 3.752 1 0 CHAFRO C[NH+](C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccccc3[C@H]2O1 ZINC000026663888 171495510 /nfs/dbraw/zinc/49/55/10/171495510.db2.gz KUCRPWOVGMMXDP-IYJAJMOOSA-N 1 0 295.382 3.968 1 0 CHAFRO c1ccc(C2=C[C@H]3CC[C@H](C3)[C@@H]2[NH2+]C[C@H]2CCCO2)cc1 ZINC000027657112 171527581 /nfs/dbraw/zinc/52/75/81/171527581.db2.gz GEUMZBWVDJFEDI-WFEDQXDTSA-N 1 0 283.415 3.637 1 0 CHAFRO CCCC[C@H]1[C@@H](OC(C)=O)CCC[C@@]12CCCC[N@@H+]2C ZINC000027996406 171543152 /nfs/dbraw/zinc/54/31/52/171543152.db2.gz OJSSCPOHINXUMF-ULQDDVLXSA-N 1 0 281.440 3.763 1 0 CHAFRO [NH3+]C[C@H](c1ccccc1)c1ccc(O)c2ccccc21 ZINC000028654186 171569649 /nfs/dbraw/zinc/56/96/49/171569649.db2.gz JAKBGUOYOXGRPU-QGZVFWFLSA-N 1 0 263.340 3.636 1 0 CHAFRO c1ccc(COc2ccc(C[n+]3ccccc3)cc2)cc1 ZINC000029413430 171598062 /nfs/dbraw/zinc/59/80/62/171598062.db2.gz HJELDWCCYPFYNQ-UHFFFAOYSA-N 1 0 276.359 3.601 1 0 CHAFRO C[n+]1ccc(/C=C\c2ccccc2F)c2ccccc21 ZINC000033248930 171775669 /nfs/dbraw/zinc/77/56/69/171775669.db2.gz OQNJPNLTJAXZJC-KHPPLWFESA-N 1 0 264.323 3.974 1 0 CHAFRO Cc1ccc([C@H](O)C[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC000072104837 176316013 /nfs/dbraw/zinc/31/60/13/176316013.db2.gz MMJRHSLJFLGUJR-ZWKOTPCHSA-N 1 0 267.372 3.605 1 0 CHAFRO Cc1cccc(Nc2[nH]cc(-c3ccncc3)[nH+]2)c1 ZINC000072112961 176317906 /nfs/dbraw/zinc/31/79/06/176317906.db2.gz KYSHCZXFMUGDMU-UHFFFAOYSA-N 1 0 250.305 3.524 1 0 CHAFRO CC(C)[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(F)c1 ZINC000072117088 176318688 /nfs/dbraw/zinc/31/86/88/176318688.db2.gz RIFCBDVWULPSFJ-KRWDZBQOSA-N 1 0 297.377 3.880 1 0 CHAFRO Oc1ccc(-c2nc(C[NH2+]C3CCCCCC3)co2)cc1 ZINC000072185877 176335785 /nfs/dbraw/zinc/33/57/85/176335785.db2.gz FNQLNCPWYCBFMW-UHFFFAOYSA-N 1 0 286.375 3.860 1 0 CHAFRO c1ccc(C[NH2+]CC[C@H]2CCO[C@@H](c3ccccc3)O2)cc1 ZINC000095553845 185008402 /nfs/dbraw/zinc/00/84/02/185008402.db2.gz JLNLKCUPVSEAMW-RBUKOAKNSA-N 1 0 297.398 3.671 1 0 CHAFRO Nc1cc(C=Cc2n[nH]c3ccccc23)[nH+]c2ccccc12 ZINC000096914087 185129355 /nfs/dbraw/zinc/12/93/55/185129355.db2.gz AQNXTMYXUNPSGN-MDZDMXLPSA-N 1 0 286.338 3.864 1 0 CHAFRO COc1ccc(-c2cccc(F)c2)cc1[C@H]1C[C@@H]1C[NH3+] ZINC000084619867 178905551 /nfs/dbraw/zinc/90/55/51/178905551.db2.gz ZKONDBQKLLTLSZ-HIFRSBDPSA-N 1 0 271.335 3.564 1 0 CHAFRO Cc1ccnc(Nc2cccc(-c3cccc(C[NH3+])c3)n2)c1 ZINC000084904192 178931413 /nfs/dbraw/zinc/93/14/13/178931413.db2.gz FMUUQPDZIIERCN-UHFFFAOYSA-N 1 0 290.370 3.654 1 0 CHAFRO C[NH+](C)CCC[C@]12CCCCC1=Nc1ccccc12 ZINC000005539100 170110779 /nfs/dbraw/zinc/11/07/79/170110779.db2.gz HVKJPXSPPGSOPY-KRWDZBQOSA-N 1 0 256.393 3.926 1 0 CHAFRO C[N@@H+]1CCCC[C@H]1CCC1(C)SCCCS1 ZINC000013554205 170561266 /nfs/dbraw/zinc/56/12/66/170561266.db2.gz ZJGMEXGDMRYOHD-LBPRGKRZSA-N 1 0 259.484 3.837 1 0 CHAFRO CCC[NH+](CCC)[C@@H]1CCc2c(C)ccc(OC)c2C1 ZINC000026174485 171474840 /nfs/dbraw/zinc/47/48/40/171474840.db2.gz ALBKVCFLVIPHKO-OAHLLOKOSA-N 1 0 275.436 3.983 1 0 CHAFRO C[N@H+]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1 ZINC000038600044 174149332 /nfs/dbraw/zinc/14/93/32/174149332.db2.gz UIVAIANIXTWVHO-MRXNPFEDSA-N 1 0 257.764 3.917 1 0 CHAFRO C[NH+](C)Cc1ccc(-c2ccc3ccnc(N)c3c2)cc1 ZINC000045210686 175328837 /nfs/dbraw/zinc/32/88/37/175328837.db2.gz XNCOVYSVGGCBHI-UHFFFAOYSA-N 1 0 277.371 3.546 1 0 CHAFRO Cc1ccc(C(=O)[C@@H](C)[NH2+]C(C)(C)C)cc1Cl ZINC000045246038 175336414 /nfs/dbraw/zinc/33/64/14/175336414.db2.gz ABPSWEJOHYDZDP-SNVBAGLBSA-N 1 0 253.773 3.608 1 0 in-vitro CHAFRO CCCC[N@H+](CC)Cc1coc(-c2cccc(OC)c2)n1 ZINC000072173279 176333551 /nfs/dbraw/zinc/33/35/51/176333551.db2.gz POQNPUUQYZBKFE-UHFFFAOYSA-N 1 0 288.391 3.972 1 0 CHAFRO [NH3+][C@H]1CCc2ccccc2[C@@H](CCCc2ccccc2)C1=O ZINC000095564770 185010169 /nfs/dbraw/zinc/01/01/69/185010169.db2.gz FBZYIXFVAPITOW-MOPGFXCFSA-N 1 0 293.410 3.636 1 0 CHAFRO Cc1ccccc1O[C@H](c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000095590141 185014213 /nfs/dbraw/zinc/01/42/13/185014213.db2.gz YHCLEHAMAKETBI-SJLPKXTDSA-N 1 0 267.372 3.725 1 0 CHAFRO CC[NH2+][C@H](C)c1cc2c(cc1OC)OC(C)(C)C=C2 ZINC000096932077 185132425 /nfs/dbraw/zinc/13/24/25/185132425.db2.gz XQFPFHVZDSXBPM-LLVKDONJSA-N 1 0 261.365 3.550 1 0 CHAFRO CC[C@@](C[C@@H]1CCC[NH2+]C1)(OC)c1ccc(Cl)cc1 ZINC000169335239 188659403 /nfs/dbraw/zinc/65/94/03/188659403.db2.gz RUJUMHOSPAQFMM-BBRMVZONSA-N 1 0 281.827 3.981 1 0 CHAFRO Fc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3)cc1 ZINC000000245488 169585658 /nfs/dbraw/zinc/58/56/58/169585658.db2.gz MFRRORUSZSSNMD-UHFFFAOYSA-N 1 0 297.378 3.677 1 0 CHAFRO C[NH2+]CCC[C@H]1Cc2ccccc2N(c2ccccc2)C1=O ZINC000013978110 134497389 /nfs/dbraw/zinc/49/73/89/134497389.db2.gz KIDMMWCQWSLXGQ-INIZCTEOSA-N 1 0 294.398 3.523 1 0 CHAFRO C[NH2+][C@@H](c1ccccc1)[C@H]1c2cccc3cccc(c23)[C@@H]1O ZINC000005719810 170132948 /nfs/dbraw/zinc/13/29/48/170132948.db2.gz SLVDRYPCLUHEDO-AABGKKOBSA-N 1 0 289.378 3.931 1 0 CHAFRO CC(C)=CC[N@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C(C)C ZINC000006486997 170205547 /nfs/dbraw/zinc/20/55/47/170205547.db2.gz VXGOAJJEESHRSD-MRXNPFEDSA-N 1 0 299.418 3.548 1 0 CHAFRO C[C@@H]([NH2+]C1CCCCC1)[C@@H](O)c1cccc(Cl)c1 ZINC000027657607 171527576 /nfs/dbraw/zinc/52/75/76/171527576.db2.gz AKMRTCNTHXWQAM-IAQYHMDHSA-N 1 0 267.800 3.684 1 0 CHAFRO COc1cccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3ccccc32)c1 ZINC000029236276 171591426 /nfs/dbraw/zinc/59/14/26/171591426.db2.gz OEPKGOMILUXZKW-RBUKOAKNSA-N 1 0 279.383 3.978 1 0 CHAFRO CCC[NH+](CCC)[C@@H]1Cc2cccc(O)c2C[C@H]1C ZINC000040466536 174275125 /nfs/dbraw/zinc/27/51/25/174275125.db2.gz RGZPLWVASVRKAR-CZUORRHYSA-N 1 0 261.409 3.618 1 0 CHAFRO CCC(C)(C)[NH2+][C@@H](C)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000045192856 175326631 /nfs/dbraw/zinc/32/66/31/175326631.db2.gz SZXMVRRDNBTGDP-GWCFXTLKSA-N 1 0 289.341 3.906 1 0 CHAFRO Cc1ccccc1Oc1ncccc1C1CC[NH2+]CC1 ZINC000045358127 175362199 /nfs/dbraw/zinc/36/21/99/175362199.db2.gz BLKKGRNFYMEBJN-UHFFFAOYSA-N 1 0 268.360 3.649 1 0 in-vivo CHAFRO COc1ccc2c(c1)CC[N@@H+](C)[C@@H]2Cc1ccccc1C ZINC000045354091 175362219 /nfs/dbraw/zinc/36/22/19/175362219.db2.gz JVAVTGGGYFPSIB-LJQANCHMSA-N 1 0 281.399 3.775 1 0 CHAFRO CCC[C@H]1[C@@H]2C[NH2+]C[C@]12c1ccc(Cl)c(Cl)c1 ZINC000045374362 175365842 /nfs/dbraw/zinc/36/58/42/175365842.db2.gz VXAKZDFZAIJNGP-MJVIPROJSA-N 1 0 270.203 3.881 1 0 CHAFRO Fc1cccc(-c2nc(C[NH2+][C@H]3C[C@H]4CC[C@@H]3C4)co2)c1 ZINC000072180658 176334629 /nfs/dbraw/zinc/33/46/29/176334629.db2.gz MMZBZXRXPVLCGE-OZVIIMIRSA-N 1 0 286.350 3.759 1 0 CHAFRO CC(C)[N@H+](C)Cc1coc(-c2ccccc2Cl)n1 ZINC000072179858 176334727 /nfs/dbraw/zinc/33/47/27/176334727.db2.gz XEZSFMIUPRCZFQ-UHFFFAOYSA-N 1 0 264.756 3.835 1 0 CHAFRO Fc1cc([C@H](Oc2ccccc2)C2C[NH2+]C2)ccc1Cl ZINC000095556498 185008950 /nfs/dbraw/zinc/00/89/50/185008950.db2.gz YUIKKWHANRFPSX-INIZCTEOSA-N 1 0 291.753 3.819 1 0 CHAFRO c1ccc(-c2cncc(C3=C[C@@H]4C[NH2+]C[C@H](C3)C4)c2)cc1 ZINC000095575637 185011537 /nfs/dbraw/zinc/01/15/37/185011537.db2.gz KEJDQVGYGBHLMC-CABCVRRESA-N 1 0 276.383 3.761 1 0 CHAFRO CC[C@@]12CCC[N@@H+]3CC[C@H]4c5ccccc5N(C(=O)CC1)[C@]432 ZINC000096905608 185127943 /nfs/dbraw/zinc/12/79/43/185127943.db2.gz BUDRLZGHZYGRIQ-IPELMVKDSA-N 1 0 296.414 3.503 1 0 CHAFRO CCn1c2ccccc2c2c1[C@](C)(CC[NH2+]C)CCC2 ZINC000002032832 169770123 /nfs/dbraw/zinc/77/01/23/169770123.db2.gz HGPRHCBOYKHAPC-SFHVURJKSA-N 1 0 270.420 3.865 1 0 CHAFRO Cc1c2c(c(C)c(O)c1C)[C@H](C[NH2+]C(C)C)C(C)(C)O2 ZINC000003798022 169912704 /nfs/dbraw/zinc/91/27/04/169912704.db2.gz NFOPCSLNACCFSX-ZDUSSCGKSA-N 1 0 277.408 3.570 1 0 CHAFRO O[C@H]1CCCC[C@@H]1[N@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2 ZINC000013766687 170591002 /nfs/dbraw/zinc/59/10/02/170591002.db2.gz LITALOXXZWFTOC-JEQQUTEPSA-N 1 0 285.431 3.701 1 0 CHAFRO CCC[C@@H]([NH2+]C(C)(C)C)[C@H](O)c1cccc(Cl)c1 ZINC000027655469 171527373 /nfs/dbraw/zinc/52/73/73/171527373.db2.gz RAPRJBLYHCHUSV-ZIAGYGMSSA-N 1 0 269.816 3.930 1 0 CHAFRO Oc1cc2c(cc1Cl)CC[NH+]=C(C1CCCCC1)N2 ZINC000045245675 175336254 /nfs/dbraw/zinc/33/62/54/175336254.db2.gz CUAIOSWHEKBCHU-UHFFFAOYSA-N 1 0 278.783 3.992 1 0 CHAFRO Cc1ccc(C[C@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1 ZINC000045336973 175360937 /nfs/dbraw/zinc/36/09/37/175360937.db2.gz JJXNDADNDFDRKV-WMZOPIPTSA-N 1 0 251.373 3.718 1 0 CHAFRO COc1ccc2c(ccc3c2[C@H](C[NH3+])c2ccccc2C3)c1 ZINC000045364078 175362444 /nfs/dbraw/zinc/36/24/44/175362444.db2.gz OKSDPUBPIUWZPV-LJQANCHMSA-N 1 0 289.378 3.843 1 0 CHAFRO C[N@@H+]1Cc2ccccc2[C@@H]1C[C@H](O)c1ccc(Cl)cc1 ZINC000072104683 176315951 /nfs/dbraw/zinc/31/59/51/176315951.db2.gz BMLQELLYLGOYHU-IRXDYDNUSA-N 1 0 287.790 3.950 1 0 CHAFRO Nc1[nH+]cc(Cc2ccccc2)n1CCCc1ccccc1 ZINC000072105524 176316555 /nfs/dbraw/zinc/31/65/55/176316555.db2.gz JKVACNZFMAIZKP-UHFFFAOYSA-N 1 0 291.398 3.689 1 0 CHAFRO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]2C)co1 ZINC000072182027 176335136 /nfs/dbraw/zinc/33/51/36/176335136.db2.gz IXARLFTZARDRFD-ZDUSSCGKSA-N 1 0 256.349 3.634 1 0 CHAFRO Nc1cccc(C(c2cccc(N)c2)=C2C=CC(=[NH2+])C=C2)c1 ZINC000004030321 560193203 /nfs/dbraw/zinc/19/32/03/560193203.db2.gz JPCZXSYRGFYXTF-UHFFFAOYSA-N 1 0 287.366 3.799 1 0 in-vitro CHAFRO CC[C@@]12CCC[N@@H+]3CC[C@]4(c5ccccc5N[C@@H]4CC1)[C@H]32 ZINC000038190826 571753199 /nfs/dbraw/zinc/75/31/99/571753199.db2.gz YAAIPCQYJYPITK-NCXUSEDFSA-N 1 0 282.431 3.777 1 0 endogenous,in-man CHAFRO Cc1c2cc(c(C)[n+]1C1=NCC=N1)CCCCCCCCC2 ZINC000095553902 185008175 /nfs/dbraw/zinc/00/81/75/185008175.db2.gz ZEVGSHGRHMXZEV-UHFFFAOYSA-N 1 0 298.454 3.709 1 0 CHAFRO C[N@@H+]1CC=CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000095580836 185011445 /nfs/dbraw/zinc/01/14/45/185011445.db2.gz NTSBDQLGAZMMFC-LLVKDONJSA-N 1 0 256.176 3.969 1 0 CHAFRO Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000096927492 185131039 /nfs/dbraw/zinc/13/10/39/185131039.db2.gz ABZSBKWRBWLSFQ-KRWDZBQOSA-N 1 0 286.419 3.731 1 0 CHAFRO [NH3+][C@H]1C2C[C@H]3C[C@@H](C2)CC1(Cc1ccc(F)cc1)C3 ZINC000096931446 185132356 /nfs/dbraw/zinc/13/23/56/185132356.db2.gz XLZPQHWGPYPOAN-ZBAHALTISA-N 1 0 259.368 3.522 1 0 CHAFRO C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CC[N@@H+]2C ZINC000003610383 169901802 /nfs/dbraw/zinc/90/18/02/169901802.db2.gz AUNUENZTLHCVBC-UAOJZALGSA-N 1 0 293.410 3.575 1 0 CHAFRO c1ccc(-c2cccc(N3CC[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000003956144 169926271 /nfs/dbraw/zinc/92/62/71/169926271.db2.gz GMBJJMHTWIGFPH-HXUWFJFHSA-N 1 0 292.426 3.934 1 0 CHAFRO O[C@@]1(c2ccc(C(F)(F)F)cc2)CC[N@@H+]2CCCC[C@@H]2C1 ZINC000006093237 170175583 /nfs/dbraw/zinc/17/55/83/170175583.db2.gz SEWOUMHWEWDIHT-CABCVRRESA-N 1 0 299.336 3.541 1 0 CHAFRO C[NH+](C)C[C@@H]1Cn2c3c(c4cccc1c42)CCCCC3 ZINC000028085715 171547089 /nfs/dbraw/zinc/54/70/89/171547089.db2.gz USFNZFWKULMNQB-CYBMUJFWSA-N 1 0 268.404 3.569 1 0 CHAFRO C[NH+](C)C[C@H]1Cc2cccc3c4c(n1c23)CCCCCC4 ZINC000028096732 171547511 /nfs/dbraw/zinc/54/75/11/171547511.db2.gz BZAVMHGPNDQKOS-OAHLLOKOSA-N 1 0 282.431 3.959 1 0 CHAFRO C[NH+](C)CC[C@H]1CCc2cccc3c4c(n1c32)CCCC4 ZINC000028103470 171548300 /nfs/dbraw/zinc/54/83/00/171548300.db2.gz JITIMZBCVSEQAH-OAHLLOKOSA-N 1 0 282.431 3.959 1 0 CHAFRO C[C@@H](C[NH2+]C1CCCCC1)Oc1cccc2ccc(N)nc21 ZINC000028390386 171557571 /nfs/dbraw/zinc/55/75/71/171557571.db2.gz KJMMGWGVGWDIMP-ZDUSSCGKSA-N 1 0 299.418 3.507 1 0 CHAFRO Cc1ccc([C@H]2C[N@@H+](C)Cc3ccccc32)cc1F ZINC000038393014 174140862 /nfs/dbraw/zinc/14/08/62/174140862.db2.gz LZYIBOJIMRPXNJ-MRXNPFEDSA-N 1 0 255.336 3.711 1 0 CHAFRO CCC[NH+](CCC)[C@H]1Cc2c(cccc2OC)C[C@H]1C ZINC000040466684 174275080 /nfs/dbraw/zinc/27/50/80/174275080.db2.gz AZDGZXLKMPUEPR-PBHICJAKSA-N 1 0 275.436 3.921 1 0 CHAFRO Cc1ccc(C(=O)[C@H](C)[NH2+]C(C)(C)C)cc1Cl ZINC000045246039 175336381 /nfs/dbraw/zinc/33/63/81/175336381.db2.gz ABPSWEJOHYDZDP-JTQLQIEISA-N 1 0 253.773 3.608 1 0 in-vitro CHAFRO C[N@H+]([C@@H]1CC(=O)c2ccccc21)[C@@H]1CCc2ccccc2C1 ZINC000045314825 175357454 /nfs/dbraw/zinc/35/74/54/175357454.db2.gz JDSSYTXEXBCUIC-VQIMIIECSA-N 1 0 291.394 3.803 1 0 CHAFRO Cc1cccc(C)c1-c1ccc2c(c1)OC[C@H]([NH+](C)C)C2 ZINC000045337654 175360624 /nfs/dbraw/zinc/36/06/24/175360624.db2.gz IGHWTHSZUYPPRK-QGZVFWFLSA-N 1 0 281.399 3.836 1 0 CHAFRO CCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1C ZINC000096927488 185131071 /nfs/dbraw/zinc/13/10/71/185131071.db2.gz ZVJMDVXJOBEMJR-MRXNPFEDSA-N 1 0 274.408 3.588 1 0 CHAFRO NC(=[NH2+])N1[C@H](Sc2ccccc2)CC[C@@H]1c1ccccc1 ZINC000169313496 188656927 /nfs/dbraw/zinc/65/69/27/188656927.db2.gz VNCLKZZACGETJU-HZPDHXFCSA-N 1 0 297.427 3.835 1 0 CHAFRO Nc1ccc([C@H]2C[N@@H+]3CCC[C@H]3c3ccccc32)cc1 ZINC000005162725 170072617 /nfs/dbraw/zinc/07/26/17/170072617.db2.gz YFRXDBYFLJJYEW-MSOLQXFVSA-N 1 0 264.372 3.551 1 0 CHAFRO CCC[N@@H+]1C[C@H](CSC)C[C@H](c2cccc(O)c2)C1 ZINC000005834006 170145662 /nfs/dbraw/zinc/14/56/62/170145662.db2.gz SPUJNUMTARGTRY-HIFRSBDPSA-N 1 0 279.449 3.571 1 0 CHAFRO C[NH+](C)CCOc1ccc(/C=C/c2ccccc2)cc1 ZINC000038340468 174140376 /nfs/dbraw/zinc/14/03/76/174140376.db2.gz WGJPQRLFYGWXOB-CMDGGOBGSA-N 1 0 267.372 3.797 1 0 CHAFRO CSc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2)cc1 ZINC000040390762 174252442 /nfs/dbraw/zinc/25/24/42/174252442.db2.gz YKEZWIDKIJLAIA-CYBMUJFWSA-N 1 0 287.428 3.835 1 0 CHAFRO [NH3+]Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1O ZINC000040762707 174397147 /nfs/dbraw/zinc/39/71/47/174397147.db2.gz CRJWRSGWRQETHS-UHFFFAOYSA-N 1 0 284.142 3.950 1 0 CHAFRO Clc1ccc2c(c1)N[C@H]1C=CC=C3C=C[NH+]=C2[C@H]31 ZINC000043019541 174944720 /nfs/dbraw/zinc/94/47/20/174944720.db2.gz UGORTOHODXXIKW-GXTWGEPZSA-N 1 0 254.720 3.563 1 0 CHAFRO CCCC[C@H]1[NH2+]CCc2cc(Cl)c(OC)cc21 ZINC000045285910 175353542 /nfs/dbraw/zinc/35/35/42/175353542.db2.gz XYKYEUZINFOQBW-CYBMUJFWSA-N 1 0 253.773 3.726 1 0 CHAFRO Cc1cccc(C)c1-c1ccc2c(c1)OC[C@@H]([NH+](C)C)C2 ZINC000045337656 175360834 /nfs/dbraw/zinc/36/08/34/175360834.db2.gz IGHWTHSZUYPPRK-KRWDZBQOSA-N 1 0 281.399 3.836 1 0 CHAFRO CCc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cccc(O)c1 ZINC000071294897 176112227 /nfs/dbraw/zinc/11/22/27/176112227.db2.gz AYXNDTUKYAJWFL-SFHVURJKSA-N 1 0 292.382 3.671 1 0 CHAFRO C[NH2+]C[C@H]1CCC[C@@]12C[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@]1(O)C2 ZINC000085547620 560072346 /nfs/dbraw/zinc/07/23/46/560072346.db2.gz JTRLWXAWNJBEAZ-WVXCVLBUSA-N 1 0 291.479 3.734 1 0 biogenic,in-vitro CHAFRO Cc1ccc2c(c1)C[N@H+](C)C[C@H]2c1cc(F)cc(F)c1 ZINC000095558513 185009221 /nfs/dbraw/zinc/00/92/21/185009221.db2.gz TWJQHLGFNXDIDH-KRWDZBQOSA-N 1 0 273.326 3.851 1 0 CHAFRO Fc1ccccc1O[C@H](c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000095587915 185012670 /nfs/dbraw/zinc/01/26/70/185012670.db2.gz NCBYCBRHLYXVNZ-RHSMWYFYSA-N 1 0 271.335 3.555 1 0 CHAFRO Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000096927493 185131599 /nfs/dbraw/zinc/13/15/99/185131599.db2.gz ABZSBKWRBWLSFQ-QGZVFWFLSA-N 1 0 286.419 3.731 1 0 CHAFRO CC(C)[NH2+]Cc1cccc2[nH]c3cc(O)ccc3c21 ZINC000103255944 185821633 /nfs/dbraw/zinc/82/16/33/185821633.db2.gz GKPBCVPXONGCPA-UHFFFAOYSA-N 1 0 254.333 3.525 1 0 CHAFRO CC(C)c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC000000007395 169505208 /nfs/dbraw/zinc/50/52/08/169505208.db2.gz BCHGFZYQLYUXBO-UHFFFAOYSA-N 1 0 256.393 3.930 1 0 in-vivo CHAFRO CNc1ccc2c(c1)[C@@]1(C)c3ccccc3[C@@H](C2)[N@@H+]1C ZINC000005596353 170117657 /nfs/dbraw/zinc/11/76/57/170117657.db2.gz HSNWLFCNURQKRT-QZTJIDSGSA-N 1 0 264.372 3.534 1 0 CHAFRO CC[NH+](CC)C[C@@H](O)c1ccc(Cl)c2ccccc21 ZINC000006382475 170196635 /nfs/dbraw/zinc/19/66/35/170196635.db2.gz VQUPYKTUOFPFLZ-MRXNPFEDSA-N 1 0 277.795 3.868 1 0 CHAFRO C[N@@H+]1CC[C@]2(C)c3c(O)cccc3C[C@@H]3CCC[C@@H]1[C@]32C ZINC000006482516 170204892 /nfs/dbraw/zinc/20/48/92/170204892.db2.gz MSJWJAZPACSQKQ-WLWJZTKJSA-N 1 0 285.431 3.717 1 0 CHAFRO Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000006567524 170214382 /nfs/dbraw/zinc/21/43/82/170214382.db2.gz NLBUEDSBXVNAPB-MISYRCLQSA-N 1 0 297.442 3.861 1 0 in-vitro CHAFRO Cc1nc2cc(C[N@@H+]3CCC[C@H]3c3ccccn3)ccc2[nH]1 ZINC000020637957 171268514 /nfs/dbraw/zinc/26/85/14/171268514.db2.gz ZIFHWDBIXBPEEX-SFHVURJKSA-N 1 0 292.386 3.603 1 0 CHAFRO CCCC[NH2+][C@H](C)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000027706387 171529067 /nfs/dbraw/zinc/52/90/67/171529067.db2.gz AFDZRFCVDILUFZ-ZWNOBZJWSA-N 1 0 275.314 3.517 1 0 CHAFRO CCC(=O)N(c1ccc(C)cc1)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000028243508 171553740 /nfs/dbraw/zinc/55/37/40/171553740.db2.gz XLHDIPVJAPIWOD-IRXDYDNUSA-N 1 0 288.435 3.611 1 0 CHAFRO C[NH+](C)CCc1cc2cccc3c2n1-c1ccccc1OC3 ZINC000033826859 171822051 /nfs/dbraw/zinc/82/20/51/171822051.db2.gz IVVWUGOOCYHTFI-UHFFFAOYSA-N 1 0 292.382 3.627 1 0 CHAFRO c1[nH]c2ccccc2c1[C@]1(Cc2ccccc2)CC[NH2+]C1 ZINC000040393411 174252152 /nfs/dbraw/zinc/25/21/52/174252152.db2.gz DUCJOVLKXCHFKO-IBGZPJMESA-N 1 0 276.383 3.642 1 0 CHAFRO CCc1cc(=O)[nH]nc1-c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000040466904 174275140 /nfs/dbraw/zinc/27/51/40/174275140.db2.gz ONVPPBIVDBUPHR-UHFFFAOYSA-N 1 0 292.342 3.550 1 0 CHAFRO Cc1ccc(C[C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1 ZINC000045336971 175360587 /nfs/dbraw/zinc/36/05/87/175360587.db2.gz JJXNDADNDFDRKV-AEFFLSMTSA-N 1 0 251.373 3.718 1 0 CHAFRO Cc1ccc(C[C@H]2Cc3ccccc3[C@@H]2[NH3+])c(C)c1 ZINC000045336969 175360769 /nfs/dbraw/zinc/36/07/69/175360769.db2.gz JJXNDADNDFDRKV-FUHWJXTLSA-N 1 0 251.373 3.718 1 0 CHAFRO C[N@@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2/C=C/c1ccccc1 ZINC000045336454 175361002 /nfs/dbraw/zinc/36/10/02/175361002.db2.gz IESQFAFNQAYROM-SZNDVJGKSA-N 1 0 290.410 3.965 1 0 CHAFRO COc1ccc2c(c1)CC[N@@H+](C)[C@H]2Cc1ccccc1C ZINC000045354094 175361952 /nfs/dbraw/zinc/36/19/52/175361952.db2.gz JVAVTGGGYFPSIB-IBGZPJMESA-N 1 0 281.399 3.775 1 0 CHAFRO CC[NH+](CC)C12C[C@H]3CC(C[C@@H](C1)c1ccccc13)O2 ZINC000045372369 175364849 /nfs/dbraw/zinc/36/48/49/175364849.db2.gz ARZLQJIBNHYLNB-FLOBVVSRSA-N 1 0 271.404 3.878 1 0 CHAFRO CCCC[C@@H]1C[NH2+]CCN1CCc1cccc2ccccc21 ZINC000061711150 521115124 /nfs/dbraw/zinc/11/51/24/521115124.db2.gz JJSOBWTWTRCBJL-LJQANCHMSA-N 1 0 296.458 3.846 3 0 CHAFRO C[N@@H+]1CCc2ccccc2Cc2c[nH]c3cccc(c23)C1 ZINC000049110451 524002690 /nfs/dbraw/zinc/00/26/90/524002690.db2.gz IIKPRPQRMUVZMA-UHFFFAOYSA-N 1 0 276.383 3.747 1 0 CHAFRO C[n+]1cc2c(c3ccccc31)Nc1c(O)cccc1S2 ZINC000064271718 525397183 /nfs/dbraw/zinc/39/71/83/525397183.db2.gz VKRATHAVYNBSSZ-UHFFFAOYSA-O 1 0 281.360 3.578 1 0 CHAFRO Cc1ccc2[nH+]c3c(c(N)c2c1)CCN3Cc1ccccc1 ZINC000002476613 567146172 /nfs/dbraw/zinc/14/61/72/567146172.db2.gz WEHILCIOIIDQMB-UHFFFAOYSA-N 1 0 289.382 3.688 1 0 CHAFRO CC(C)C[NH+]1CCC(Nc2cccc3cnccc32)CC1 ZINC000028641176 581097100 /nfs/dbraw/zinc/09/71/00/581097100.db2.gz YOASCIYACSMSGW-UHFFFAOYSA-N 1 0 283.419 3.767 1 0 CHAFRO COc1ccc2c(c1)C[N@@H+](C)C[C@H]2c1cccc(C)c1 ZINC000095562506 185009234 /nfs/dbraw/zinc/00/92/34/185009234.db2.gz KYUYTLMYZDCTDV-SFHVURJKSA-N 1 0 267.372 3.581 1 0 CHAFRO CCOc1ccc2c(c1)C[N@@H+](C)C[C@H]2c1ccccc1 ZINC000095559573 185009238 /nfs/dbraw/zinc/00/92/38/185009238.db2.gz PUZGOXIAHPOFIX-SFHVURJKSA-N 1 0 267.372 3.663 1 0 CHAFRO O=c1cc(C[NH+]2CCCCCCC2)c2ccccc2o1 ZINC000095566390 185010494 /nfs/dbraw/zinc/01/04/94/185010494.db2.gz POHUEXBPVMGTIA-UHFFFAOYSA-N 1 0 271.360 3.559 3 0 CHAFRO C[NH+](C)CC/C=C1/c2ccccc2COc2ccc(O)cc21 ZINC000095618589 256744486 /nfs/dbraw/zinc/74/44/86/256744486.db2.gz GRQPGTWGEQWMMM-IUXPMGMMSA-N 1 0 295.382 3.668 1 0 world CHAFRO C[NH2+]CCC1=Cc2ccccc2N(C)c2ccccc21 ZINC000003627189 169904429 /nfs/dbraw/zinc/90/44/29/169904429.db2.gz MHBXHCOUWYQAFZ-UHFFFAOYSA-N 1 0 264.372 3.918 1 0 in-man CHAFRO CCCCC1=Cc2cc3c(cc2[C@@H]1[NH+](C)C)OCO3 ZINC000005351536 170088598 /nfs/dbraw/zinc/08/85/98/170088598.db2.gz GDMBWXQVZUIAPI-MRXNPFEDSA-N 1 0 259.349 3.605 1 0 CHAFRO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(c1ccccc1)CC[N@@H+]2C ZINC000005752354 170137134 /nfs/dbraw/zinc/13/71/34/170137134.db2.gz AUNUENZTLHCVBC-VHKYSDTDSA-N 1 0 293.410 3.575 1 0 CHAFRO [NH2+]=C(/C=C/c1ccccc1)NCCc1ccccc1 ZINC000013487833 170555435 /nfs/dbraw/zinc/55/54/35/170555435.db2.gz IAZTYLMUSGYFAU-VAWYXSNFSA-N 1 0 250.345 3.509 1 0 CHAFRO Cc1ccc(C[C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000026675196 171496028 /nfs/dbraw/zinc/49/60/28/171496028.db2.gz XTLGBEYQQVWUQK-GOSISDBHSA-N 1 0 276.383 3.906 1 0 CHAFRO COc1ccc2ccccc2c1CC[C@H]1CC[C@H](CC[NH3+])O1 ZINC000040393512 174252232 /nfs/dbraw/zinc/25/22/32/174252232.db2.gz DSDLGRNFGNGRFT-HZPDHXFCSA-N 1 0 299.414 3.677 1 0 CHAFRO c1ccc2c(c1)[nH]c1c2cc[n+]2c1C[C@@H]1CCCC[C@@H]1C2 ZINC000040639268 174363755 /nfs/dbraw/zinc/36/37/55/174363755.db2.gz DMZFHYNTTBDYHR-UONOGXRCSA-O 1 0 277.391 3.971 1 0 CHAFRO Clc1ccc2c(c1)N[C@@H]1C=CC=C3C=C[NH+]=C2[C@@H]31 ZINC000043019535 174945094 /nfs/dbraw/zinc/94/50/94/174945094.db2.gz UGORTOHODXXIKW-OCCSQVGLSA-N 1 0 254.720 3.563 1 0 CHAFRO CCC(C)(C)[NH2+][C@H](C)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000045192865 175326871 /nfs/dbraw/zinc/32/68/71/175326871.db2.gz SZXMVRRDNBTGDP-ZWNOBZJWSA-N 1 0 289.341 3.906 1 0 CHAFRO O=C1c2ccccc2[N+](=O)C1c1ccc(Cl)c(Cl)c1 ZINC000045258429 175337234 /nfs/dbraw/zinc/33/72/34/175337234.db2.gz HWVJECPAIUGBNE-UHFFFAOYSA-N 1 0 292.121 3.821 1 0 CHAFRO C[NH+](C)Cc1cccc(-c2ccc3ccnc(N)c3c2)c1 ZINC000045323869 175359546 /nfs/dbraw/zinc/35/95/46/175359546.db2.gz GXUGQUGTZCIKFA-UHFFFAOYSA-N 1 0 277.371 3.546 1 0 CHAFRO COc1ccc2c(c1)CCC[N@@H+](C)Cc1ccccc1C2 ZINC000045348487 175361687 /nfs/dbraw/zinc/36/16/87/175361687.db2.gz SDRGVAOUBSYRSJ-UHFFFAOYSA-N 1 0 281.399 3.664 1 0 CHAFRO CC(C)(C)[N@H+](CCC(=O)c1ccncc1)Cc1ccccc1 ZINC000045384417 175371019 /nfs/dbraw/zinc/37/10/19/175371019.db2.gz FFONSRJINLSXHG-UHFFFAOYSA-N 1 0 296.414 3.955 1 0 CHAFRO C[N@@H+]1Cc2ccccc2[C@H]1C[C@H](O)c1ccc(Cl)cc1 ZINC000072105020 176316066 /nfs/dbraw/zinc/31/60/66/176316066.db2.gz BMLQELLYLGOYHU-SJORKVTESA-N 1 0 287.790 3.950 1 0 CHAFRO C[N@@H+]1Cc2ccccc2[C@@H]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000072105148 176316353 /nfs/dbraw/zinc/31/63/53/176316353.db2.gz BMLQELLYLGOYHU-DLBZAZTESA-N 1 0 287.790 3.950 1 0 CHAFRO COC[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914814 185129091 /nfs/dbraw/zinc/12/90/91/185129091.db2.gz GDFYRFGZPIJLGQ-LBPRGKRZSA-N 1 0 288.218 3.723 1 0 CHAFRO CC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914801 185129536 /nfs/dbraw/zinc/12/95/36/185129536.db2.gz LMBRJLRGBKDCQE-AWEZNQCLSA-N 1 0 286.202 3.666 1 0 CHAFRO Fc1cccc(O[C@@H](c2ccccc2)C2CC[NH2+]CC2)c1 ZINC000000025765 169507896 /nfs/dbraw/zinc/50/78/96/169507896.db2.gz FDHPZDXAAGIHFC-SFHVURJKSA-N 1 0 285.362 3.945 1 0 CHAFRO C[N@@H+]1CC[C@]2(C)c3ccc(O)cc3C[C@@H]3CCC[C@@H]1[C@]32C ZINC000006482521 170204989 /nfs/dbraw/zinc/20/49/89/170204989.db2.gz JOMWFIDLECFQFC-PIKADFDJSA-N 1 0 285.431 3.717 1 0 CHAFRO [NH2+]=C(NCc1cccc(Cl)c1)c1ccccc1F ZINC000013487843 170555464 /nfs/dbraw/zinc/55/54/64/170555464.db2.gz JLWXLBYWIQZISW-UHFFFAOYSA-N 1 0 262.715 3.594 1 0 CHAFRO CNc1ccccc1C[C@H]([NH2+]C)c1sccc1C ZINC000013738497 170584753 /nfs/dbraw/zinc/58/47/53/170584753.db2.gz FWXZDAWKUSCCII-AWEZNQCLSA-N 1 0 260.406 3.601 1 0 CHAFRO O=C1C[C@@H]2CC[C@H]1[C@@H]([NH+]1CCCCC1)[C@@H]2c1ccccc1 ZINC000027312442 171512847 /nfs/dbraw/zinc/51/28/47/171512847.db2.gz TWEOXNBABJCSDU-QFHJOOASSA-N 1 0 283.415 3.624 1 0 CHAFRO C[NH+](C)C[C@@H]1Cc2cccc3c4c(n1c23)CCCCC4 ZINC000028096718 171547629 /nfs/dbraw/zinc/54/76/29/171547629.db2.gz YQLLRDZDOTYLCH-AWEZNQCLSA-N 1 0 268.404 3.569 1 0 CHAFRO CCC(=O)N(c1cccc(C)c1)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000028243547 171553735 /nfs/dbraw/zinc/55/37/35/171553735.db2.gz ROTHUOPHBZPFPX-SJORKVTESA-N 1 0 288.435 3.611 1 0 CHAFRO c1ccc(CCCCN2CC[NH+]=C2Nc2ccccc2)cc1 ZINC000036386658 172628559 /nfs/dbraw/zinc/62/85/59/172628559.db2.gz VRPYMJLUUYUNFD-UHFFFAOYSA-N 1 0 293.414 3.793 3 0 CHAFRO COc1ccc([C@H]2C[N@H+](C)Cc3sc(C)cc32)cc1 ZINC000038157532 174134633 /nfs/dbraw/zinc/13/46/33/174134633.db2.gz IBPZZHHNDGKYBF-OAHLLOKOSA-N 1 0 273.401 3.642 1 0 CHAFRO Fc1cc2c3c([nH]c2c(F)c1)CC[C@H]([NH+]1CCCCC1)C3 ZINC000039214045 174166476 /nfs/dbraw/zinc/16/64/76/174166476.db2.gz BFNKSCNYWIAFMF-LBPRGKRZSA-N 1 0 290.357 3.789 1 0 CHAFRO C[NH2+]C[C@@H]1CCc2ccccc2[C@@H]1Oc1ccccc1C ZINC000040428745 174259166 /nfs/dbraw/zinc/25/91/66/174259166.db2.gz CBIWVBLPTDWHKB-QFBILLFUSA-N 1 0 281.399 3.897 1 0 CHAFRO CCC[NH+](CCC)[C@H]1Cc2c(cccc2OC)C[C@@H]1C ZINC000040465751 174274339 /nfs/dbraw/zinc/27/43/39/174274339.db2.gz AZDGZXLKMPUEPR-YOEHRIQHSA-N 1 0 275.436 3.921 1 0 CHAFRO Cc1cccc(F)c1Oc1ncccc1C1CC[NH2+]CC1 ZINC000043206559 174983538 /nfs/dbraw/zinc/98/35/38/174983538.db2.gz MNKYSXOLQYNYNU-UHFFFAOYSA-N 1 0 286.350 3.788 1 0 CHAFRO NC(=[NH2+])CCN(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000045231225 175335232 /nfs/dbraw/zinc/33/52/32/175335232.db2.gz YJWBYUIHLCZRRU-UHFFFAOYSA-N 1 0 287.794 3.673 1 0 CHAFRO C[NH+](C)Cc1cc2c(ccc(Cc3ccccc3)c2O)o1 ZINC000045302002 175355212 /nfs/dbraw/zinc/35/52/12/175355212.db2.gz VUHYIOAILSJKCP-UHFFFAOYSA-N 1 0 281.355 3.791 1 0 CHAFRO CCc1cc(OC)ccc1[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000045350007 175361779 /nfs/dbraw/zinc/36/17/79/175361779.db2.gz KTAAQEHLGMUIRW-IBGZPJMESA-N 1 0 281.399 3.987 1 0 CHAFRO c1ccc(COc2ccc([C@@H]3C[NH2+]CCS3)cc2)cc1 ZINC000045357826 175361941 /nfs/dbraw/zinc/36/19/41/175361941.db2.gz JTMKALFHDSWYGH-KRWDZBQOSA-N 1 0 285.412 3.643 1 0 in-vivo CHAFRO C[NH2+][C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000066058844 522505995 /nfs/dbraw/zinc/50/59/95/522505995.db2.gz UYTHYGZZXKWLPU-GFEQUFNTSA-N 1 0 285.431 3.836 1 0 CHAFRO CCOc1ccc2c(c1)C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC000095559572 185009228 /nfs/dbraw/zinc/00/92/28/185009228.db2.gz PUZGOXIAHPOFIX-GOSISDBHSA-N 1 0 267.372 3.663 1 0 CHAFRO CCC[NH+]1CCC(c2cn(C)c3cc(F)ccc23)CC1 ZINC000095559467 185009685 /nfs/dbraw/zinc/00/96/85/185009685.db2.gz SKSNWJPZQYVOQU-UHFFFAOYSA-N 1 0 274.383 3.907 1 0 CHAFRO Cn1c2ccccc2c2c1[C@@](C)(CC[NH+](C)C)CCC2 ZINC000002032839 169770069 /nfs/dbraw/zinc/77/00/69/169770069.db2.gz ACTALQKTNGCXJT-GOSISDBHSA-N 1 0 270.420 3.724 1 0 CHAFRO C[C@H]([NH2+]C(C)(C)C)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000027650121 171526871 /nfs/dbraw/zinc/52/68/71/171526871.db2.gz SLCPABTZXAOSIU-QPUJVOFHSA-N 1 0 276.207 3.803 1 0 CHAFRO COc1ccc2c(c1)[C@H]1CCC[N@H+]1C[C@H]2c1ccccc1 ZINC000029231235 171590450 /nfs/dbraw/zinc/59/04/50/171590450.db2.gz YDMNMWIUPFFTAH-RBUKOAKNSA-N 1 0 279.383 3.978 1 0 CHAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2ccccc21 ZINC000034058655 171830295 /nfs/dbraw/zinc/83/02/95/171830295.db2.gz CGVBIXZVEMXIQU-IBGZPJMESA-N 1 0 299.389 3.941 1 0 CHAFRO COc1ccc([C@@H]2C[N@H+](C)Cc3sc(C)cc32)cc1 ZINC000038157533 174134491 /nfs/dbraw/zinc/13/44/91/174134491.db2.gz IBPZZHHNDGKYBF-HNNXBMFYSA-N 1 0 273.401 3.642 1 0 CHAFRO Cc1ccc([C@@H]2C[N@@H+](C)Cc3ccccc32)cc1F ZINC000038393013 174141103 /nfs/dbraw/zinc/14/11/03/174141103.db2.gz LZYIBOJIMRPXNJ-INIZCTEOSA-N 1 0 255.336 3.711 1 0 CHAFRO CC[NH2+]CCCCNc1ccnc2cc(Cl)ccc21 ZINC000040410340 174254593 /nfs/dbraw/zinc/25/45/93/174254593.db2.gz AFQBCKMNPWLDPU-UHFFFAOYSA-N 1 0 277.799 3.690 1 0 CHAFRO CCc1ccccc1O[C@H]1c2ccccc2OC[C@H]1C[NH2+]C ZINC000040424352 174258452 /nfs/dbraw/zinc/25/84/52/174258452.db2.gz VVQIWKYSMSGPNS-DNVCBOLYSA-N 1 0 297.398 3.597 1 0 CHAFRO CCCC[C@@H]1c2cc(O)c(Cl)cc2CC[N@H+]1C ZINC000045284822 175353630 /nfs/dbraw/zinc/35/36/30/175353630.db2.gz HEPGAIWFPSKHHV-CYBMUJFWSA-N 1 0 253.773 3.765 1 0 CHAFRO COc1ccc(-c2sc3ccccc3c2C[NH3+])c(N)c1 ZINC000045339953 175361399 /nfs/dbraw/zinc/36/13/99/175361399.db2.gz KQJSJXLNXWWOSG-UHFFFAOYSA-N 1 0 284.384 3.618 1 0 CHAFRO NC(=[NH2+])c1cc2cc(-c3ccccc3)ccc2s1 ZINC000045367319 175362885 /nfs/dbraw/zinc/36/28/85/175362885.db2.gz RSJHKRMNCZGVCO-UHFFFAOYSA-N 1 0 252.342 3.852 1 0 CHAFRO CCCCCCc1c[nH+]c(N)n1Cc1ccccc1 ZINC000072104733 176315949 /nfs/dbraw/zinc/31/59/49/176315949.db2.gz XVJKJZBHYPDKGC-UHFFFAOYSA-N 1 0 257.381 3.636 1 0 CHAFRO CCCCc1ccc(-c2nc(C[NH2+]CC)co2)cc1 ZINC000072179959 176334741 /nfs/dbraw/zinc/33/47/41/176334741.db2.gz MKLKKWNFPRDKQP-UHFFFAOYSA-N 1 0 258.365 3.794 1 0 CHAFRO C[C@@H]([NH2+]Cc1coc(-c2ccc(O)cc2)n1)C(C)(C)C ZINC000072183064 176335176 /nfs/dbraw/zinc/33/51/76/176335176.db2.gz GYFAQQVCDJRJGM-LLVKDONJSA-N 1 0 274.364 3.571 1 0 CHAFRO Clc1ccc([C@H](Oc2ccccc2)C2C[NH2+]C2)cc1 ZINC000095556603 185008813 /nfs/dbraw/zinc/00/88/13/185008813.db2.gz NCKCPBMYSKVDRC-INIZCTEOSA-N 1 0 273.763 3.680 1 0 CHAFRO Cc1ccc2c(c1)C[N@H+](C)C[C@H]2c1ccc(F)cc1 ZINC000095562475 185009740 /nfs/dbraw/zinc/00/97/40/185009740.db2.gz APTVKHQLUJFYAC-KRWDZBQOSA-N 1 0 255.336 3.711 1 0 CHAFRO c1ccc(-c2ccc(C3=C[C@@H]4C[NH2+]C[C@H](C3)C4)cn2)cc1 ZINC000095580254 185011292 /nfs/dbraw/zinc/01/12/92/185011292.db2.gz ULUVSICUEWOINW-CABCVRRESA-N 1 0 276.383 3.761 1 0 CHAFRO C[NH2+][C@@H](c1ccccc1)[C@@H]1c2cccc3cccc(c23)[C@@H]1O ZINC000005719809 170132903 /nfs/dbraw/zinc/13/29/03/170132903.db2.gz SLVDRYPCLUHEDO-UFYCRDLUSA-N 1 0 289.378 3.931 1 0 CHAFRO O=Cc1c[nH]c2ccc3c(c12)C[C@H]([NH+]1CCCCCC1)CC3 ZINC000013741772 170585798 /nfs/dbraw/zinc/58/57/98/170585798.db2.gz DDSJSYAJAKFVHY-MRXNPFEDSA-N 1 0 296.414 3.714 1 0 CHAFRO COc1ccc2c(c1)[C@@H]1CC[C@@H]3CC[C@@]14[C@@H]3CC[N@@H+](C)[C@H]4C2 ZINC000026495264 171488176 /nfs/dbraw/zinc/48/81/76/171488176.db2.gz IMEXKGXGQAXHNG-DFYPAZAZSA-N 1 0 297.442 3.845 1 0 CHAFRO CN(C)C1=[NH+][C@@H](c2ccccc2Cl)c2ccccc2C1 ZINC000026575419 171492462 /nfs/dbraw/zinc/49/24/62/171492462.db2.gz JXLCRQVEJMUPOE-QGZVFWFLSA-N 1 0 284.790 3.946 1 0 CHAFRO O=C1C[C@H]2CC[C@@H]1[C@@H]([NH+]1CCCCC1)[C@@H]2c1ccccc1 ZINC000027312438 171512693 /nfs/dbraw/zinc/51/26/93/171512693.db2.gz TWEOXNBABJCSDU-UKBAYJJMSA-N 1 0 283.415 3.624 1 0 CHAFRO Cc1ccc(-c2cc3cc(C)ccc3c(NCC[NH3+])n2)cc1 ZINC000027517658 171518341 /nfs/dbraw/zinc/51/83/41/171518341.db2.gz WFPYXOJLOOIVTB-UHFFFAOYSA-N 1 0 291.398 3.889 1 0 CHAFRO C[NH+](C)C[C@@H]1Cn2c3c(c4cccc1c42)CCCCCC3 ZINC000028098719 171547689 /nfs/dbraw/zinc/54/76/89/171547689.db2.gz UELQWLLIYJBLIJ-CQSZACIVSA-N 1 0 282.431 3.959 1 0 CHAFRO Cc1ccc2c(c1)C[N@H+](C)C[C@H]2c1cccc(F)c1 ZINC000038393010 174141024 /nfs/dbraw/zinc/14/10/24/174141024.db2.gz QREUWDKINMWLMS-KRWDZBQOSA-N 1 0 255.336 3.711 1 0 CHAFRO Fc1ccc(C[C@@]2(c3ccc4[nH]ccc4c3)CC[NH2+]C2)cc1 ZINC000040379600 174250427 /nfs/dbraw/zinc/25/04/27/174250427.db2.gz RBNFIIOAQFISLC-IBGZPJMESA-N 1 0 294.373 3.781 1 0 in-vivo CHAFRO CCCCOc1ccc2cc(C[C@@H](C)[NH3+])ccc2c1 ZINC000040834661 174417803 /nfs/dbraw/zinc/41/78/03/174417803.db2.gz HQJXBGMWVQCDJS-CYBMUJFWSA-N 1 0 257.377 3.908 1 0 in-vivo CHAFRO C[N@@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1N2/C=C/c1ccccc1 ZINC000045336451 175360892 /nfs/dbraw/zinc/36/08/92/175360892.db2.gz IESQFAFNQAYROM-OUBQQWGRSA-N 1 0 290.410 3.965 1 0 CHAFRO CC(C)([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000072118093 176319062 /nfs/dbraw/zinc/31/90/62/176319062.db2.gz HZQJGEVPEZEWGG-UHFFFAOYSA-N 1 0 299.805 3.932 1 0 CHAFRO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000073225020 176462808 /nfs/dbraw/zinc/46/28/08/176462808.db2.gz PAXGPAVOMLKKDQ-XKQJLSEDSA-N 1 0 295.382 3.665 1 0 CHAFRO Fc1cccc(F)c1O[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000095586653 185012627 /nfs/dbraw/zinc/01/26/27/185012627.db2.gz RSAGNBIVUSOUTP-BBRMVZONSA-N 1 0 289.325 3.694 1 0 CHAFRO CC[NH+](CC)CCCCOc1cccc2cccnc21 ZINC000095597447 185015673 /nfs/dbraw/zinc/01/56/73/185015673.db2.gz OZBWZIJCYMGEAI-UHFFFAOYSA-N 1 0 272.392 3.736 1 0 CHAFRO CCn1c(C)c(C2=CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096910234 185129175 /nfs/dbraw/zinc/12/91/75/185129175.db2.gz JGQGBOCRZHHYSW-UHFFFAOYSA-N 1 0 274.795 4.000 1 0 CHAFRO Cc1c(C2=CC[NH2+]CC2)c2cc(Cl)ccc2n1C ZINC000096910233 185129177 /nfs/dbraw/zinc/12/91/77/185129177.db2.gz QIJBAUKYBCNXQM-UHFFFAOYSA-N 1 0 260.768 3.517 1 0 CHAFRO NC(=[NH2+])N1[C@@H](c2ccccc2)CC[C@@H]1Sc1ccccc1 ZINC000103262158 185823139 /nfs/dbraw/zinc/82/31/39/185823139.db2.gz VNCLKZZACGETJU-CVEARBPZSA-N 1 0 297.427 3.835 1 0 CHAFRO Cc1ccc([C@@H]2c3ccccc3[C@H]3[NH2+]CCC[C@@H]23)cc1N ZINC000002017635 169767770 /nfs/dbraw/zinc/76/77/70/169767770.db2.gz OALOQDOGDUFPCR-QXAKKESOSA-N 1 0 278.399 3.763 1 0 CHAFRO CCCn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCC(C)(C)C ZINC000013743260 170585938 /nfs/dbraw/zinc/58/59/38/170585938.db2.gz QTHBPAVNIXYBBG-HNNXBMFYSA-N 1 0 290.451 3.662 1 0 CHAFRO CCC[NH+](CCC)[C@@H]1CCc2ccc(O)cc2[C@H]1C ZINC000029485510 171600970 /nfs/dbraw/zinc/60/09/70/171600970.db2.gz MNYFSKLFBNOUGJ-CXAGYDPISA-N 1 0 261.409 3.933 1 0 CHAFRO C[NH2+]C[C@H]1OCc2ccccc2[C@H]1Oc1cccc(C)c1C ZINC000040424304 174258393 /nfs/dbraw/zinc/25/83/93/174258393.db2.gz JMYADEOPJFRDDM-RTBURBONSA-N 1 0 297.398 3.542 1 0 CHAFRO C[N@@H+]1CCCC[C@H]1C[C@@H]1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000040488570 174290097 /nfs/dbraw/zinc/29/00/97/174290097.db2.gz NOWNNISXKFTZKN-AYMQEEERSA-N 1 0 263.425 3.502 1 0 CHAFRO COc1ccc2c(c1)[C@@]13CC[C@@H](C)[C@H](C)[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC000040690571 174376829 /nfs/dbraw/zinc/37/68/29/174376829.db2.gz UVAMKQKDNCTETB-ALUGONPKSA-N 1 0 299.458 3.875 1 0 CHAFRO Cc1ccc(Oc2cc(F)ccc2C[NH+](C)C)c(N)c1 ZINC000045351318 175361695 /nfs/dbraw/zinc/36/16/95/175361695.db2.gz BWXOLUJTEOFJOY-UHFFFAOYSA-N 1 0 274.339 3.570 1 0 CHAFRO Fc1cccc(CC[NH+]2C3CC4CC(C3)CC2C4)c1 ZINC000072104797 176315929 /nfs/dbraw/zinc/31/59/29/176315929.db2.gz KUJBWVNSRACVRQ-UHFFFAOYSA-N 1 0 259.368 3.631 1 0 CHAFRO Oc1ccc2cc[n+](CCc3cccc(Cl)c3)cc2c1 ZINC000072104834 176315938 /nfs/dbraw/zinc/31/59/38/176315938.db2.gz GHQKVZJZJJZWHS-UHFFFAOYSA-O 1 0 284.766 3.729 1 0 CHAFRO C[N@@H+]1Cc2ccccc2[C@H]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000072104790 176316100 /nfs/dbraw/zinc/31/61/00/176316100.db2.gz BMLQELLYLGOYHU-IAGOWNOFSA-N 1 0 287.790 3.950 1 0 CHAFRO c1cc([C@H]2CCCO2)ccc1OCCC[NH+]1CCCCC1 ZINC000072178752 176334471 /nfs/dbraw/zinc/33/44/71/176334471.db2.gz HRANJBOYBLKELU-GOSISDBHSA-N 1 0 289.419 3.793 1 0 CHAFRO CC(C)(C)CC[C@@]1(C(=O)c2ccc3n[nH]cc3c2)CCC[NH2+]1 ZINC000062225354 518659100 /nfs/dbraw/zinc/65/91/00/518659100.db2.gz WMONHIUXMOXBDS-GOSISDBHSA-N 1 0 299.418 3.694 1 0 CHAFRO CSc1ccc(O[C@]2(C)CC[N@H+](CC3CC3)C2)cc1 ZINC000230472418 581091090 /nfs/dbraw/zinc/09/10/90/581091090.db2.gz NBLYVOKOJMLIRY-MRXNPFEDSA-N 1 0 277.433 3.662 1 0 in-vitro CHAFRO CCCO[C@@H](c1ccc2ccccc2c1)C1C[NH2+]C1 ZINC000095554193 185007806 /nfs/dbraw/zinc/00/78/06/185007806.db2.gz DWXUZONDTARNBN-KRWDZBQOSA-N 1 0 255.361 3.527 1 0 CHAFRO CC(C)(C)c1ccc(-c2cccc(CNC(N)=[NH2+])c2)cc1 ZINC000095573971 185010167 /nfs/dbraw/zinc/01/01/67/185010167.db2.gz IJMFAQGRFMHTGK-UHFFFAOYSA-N 1 0 281.403 3.634 1 0 CHAFRO c1ccc(Oc2cncc(C3=C[C@H]4C[NH2+]C[C@@H](C3)C4)c2)cc1 ZINC000095577959 185011257 /nfs/dbraw/zinc/01/12/57/185011257.db2.gz GTVWKLSULFFQST-LSDHHAIUSA-N 1 0 292.382 3.887 1 0 CHAFRO c1ccc(-c2cncc(C3=C[C@H]4C[NH2+]C[C@@H](C3)C4)c2)cc1 ZINC000095575638 185011364 /nfs/dbraw/zinc/01/13/64/185011364.db2.gz KEJDQVGYGBHLMC-LSDHHAIUSA-N 1 0 276.383 3.761 1 0 CHAFRO COc1c(C)cnc(CNc2ccc3[nH]c(C)[nH+]c3c2)c1C ZINC000095590655 185013731 /nfs/dbraw/zinc/01/37/31/185013731.db2.gz JXJOHCBKUZJHGY-UHFFFAOYSA-N 1 0 296.374 3.504 1 0 CHAFRO COc1cccc(-c2cccc([C@]3(C)NC(=[NH2+])CS3)c2)c1 ZINC000096906032 185128028 /nfs/dbraw/zinc/12/80/28/185128028.db2.gz HQOFZPLMGHLAJL-QGZVFWFLSA-N 1 0 298.411 3.639 1 0 CHAFRO Cc1cc(C)cc(SC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000084689950 178915759 /nfs/dbraw/zinc/91/57/59/178915759.db2.gz NHCUSGUUEUJVQA-MRXNPFEDSA-N 1 0 293.476 3.632 1 0 CHAFRO C[C@@H](Cc1ccccc1-c1ccccc1)C1=[NH+]CCN1 ZINC000090733550 180033278 /nfs/dbraw/zinc/03/32/78/180033278.db2.gz VKOXICYFEFRTQW-AWEZNQCLSA-N 1 0 264.372 3.534 1 0 CHAFRO Brc1ccc(-c2c[n+]3ccccc3s2)cc1 ZINC000169318475 188657487 /nfs/dbraw/zinc/65/74/87/188657487.db2.gz MGWMZQJIAMUDQJ-UHFFFAOYSA-N 1 0 291.193 3.916 1 0 CHAFRO CC(C)C[NH2+]C[C@H]1CCc2ccc3ccccc3c2O1 ZINC000169333269 188659269 /nfs/dbraw/zinc/65/92/69/188659269.db2.gz WBVGRSGYMYRCNU-MRXNPFEDSA-N 1 0 269.388 3.779 1 0 CHAFRO CCC[NH+](CCC)[C@H]1Cc2c[nH]c3ccc(C(C)=O)c(c23)C1 ZINC000000005320 169504507 /nfs/dbraw/zinc/50/45/07/169504507.db2.gz CKYZLYQSDNLGPT-HNNXBMFYSA-N 1 0 298.430 3.960 1 0 in-vitro CHAFRO CCC[NH+](CCC)[C@@H]1CCc2c(OC)ccc(OC)c2C1 ZINC000005832965 170144934 /nfs/dbraw/zinc/14/49/34/170144934.db2.gz OGYDMHQMRVUGRF-CQSZACIVSA-N 1 0 291.435 3.683 1 0 CHAFRO CCCCCSc1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000013641748 170571689 /nfs/dbraw/zinc/57/16/89/170571689.db2.gz QJIMRIAYMMVZRY-LBPRGKRZSA-N 1 0 297.464 3.876 1 0 CHAFRO COc1c2c(c(C)cc1C)C[C@](C)(c1ccccc1)[C@H]2[NH3+] ZINC000026153245 171473256 /nfs/dbraw/zinc/47/32/56/171473256.db2.gz KTBULPPJPKQNMJ-RBUKOAKNSA-N 1 0 281.399 3.826 1 0 CHAFRO COc1ccc([C@@H]2C3CCC(CC3)[C@H]2C[NH+](C)C)cc1 ZINC000028000515 171543557 /nfs/dbraw/zinc/54/35/57/171543557.db2.gz LSNHNHXRKOSNAG-PCHAPFSGSA-N 1 0 273.420 3.777 1 0 CHAFRO C[NH+](C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 ZINC000028245892 171553834 /nfs/dbraw/zinc/55/38/34/171553834.db2.gz GVOLYPPAXQIHQQ-JQIJEIRASA-N 1 0 276.383 3.971 1 0 CHAFRO Cc1ccc2c(c1C)C[N@H+](C)C[C@@H]2c1ccccc1 ZINC000038392918 174140723 /nfs/dbraw/zinc/14/07/23/174140723.db2.gz KJSYAMNHDJSTMY-GOSISDBHSA-N 1 0 251.373 3.881 1 0 CHAFRO CSc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)cc2)cc1 ZINC000040390759 174252353 /nfs/dbraw/zinc/25/23/53/174252353.db2.gz YKEZWIDKIJLAIA-ZDUSSCGKSA-N 1 0 287.428 3.835 1 0 CHAFRO C[NH2+][C@@H]1Cc2ccccc2[C@@H](Oc2ccccc2C)C1 ZINC000040423907 174258504 /nfs/dbraw/zinc/25/85/04/174258504.db2.gz FDBFTQAPQQWDDD-QAPCUYQASA-N 1 0 267.372 3.649 1 0 CHAFRO CC[NH+](CC)CCNc1ccnc2[nH]c3ccc(C)cc3c21 ZINC000045167123 175319416 /nfs/dbraw/zinc/31/94/16/175319416.db2.gz HPQIHPPGWRCPIY-UHFFFAOYSA-N 1 0 296.418 3.778 1 0 CHAFRO Fc1ccccc1COc1ccccc1C1CC[NH2+]CC1 ZINC000045261913 175337111 /nfs/dbraw/zinc/33/71/11/175337111.db2.gz CDVPUDLPRZVZHB-UHFFFAOYSA-N 1 0 285.362 3.872 1 0 in-vivo CHAFRO COc1ccc2c(c1)CCC[N@H+]1Cc3ccccc3[C@H]21 ZINC000045348977 175361600 /nfs/dbraw/zinc/36/16/00/175361600.db2.gz JATYIIXSEHMITM-GOSISDBHSA-N 1 0 265.356 3.546 1 0 CHAFRO COc1ccc2c(c1)CCC[N@H+]1Cc3ccccc3[C@@H]21 ZINC000045348980 175361814 /nfs/dbraw/zinc/36/18/14/175361814.db2.gz JATYIIXSEHMITM-SFHVURJKSA-N 1 0 265.356 3.546 1 0 CHAFRO COc1ccc2cc3c(cc2c1)[C@H](C[NH3+])c1ccccc1C3 ZINC000045371907 175364256 /nfs/dbraw/zinc/36/42/56/175364256.db2.gz YCFWTCQCXNKWLE-HXUWFJFHSA-N 1 0 289.378 3.843 1 0 CHAFRO Cc1ccccc1-c1nc(C[NH+]2CCCCC2)co1 ZINC000072103740 176316143 /nfs/dbraw/zinc/31/61/43/176316143.db2.gz ALBWAFCXFCXGEH-UHFFFAOYSA-N 1 0 256.349 3.636 1 0 CHAFRO Cn1cc[n+](C)c1/C=C/c1cc(-c2ccccc2)cs1 ZINC000049799609 527333155 /nfs/dbraw/zinc/33/31/55/527333155.db2.gz RHJKAYJUSBTERU-CMDGGOBGSA-N 1 0 281.404 3.749 1 0 CHAFRO CC(=O)CCCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H](C)[NH2+]1 ZINC000095910038 560059260 /nfs/dbraw/zinc/05/92/60/560059260.db2.gz QPRMGHKASRLPJP-KZNAEPCWSA-N 1 0 297.483 3.978 1 0 biogenic,in-vitro CHAFRO Cc1cccc2c1C[N@H+](C)C[C@H]2c1ccc(F)c(F)c1 ZINC000095563392 185010407 /nfs/dbraw/zinc/01/04/07/185010407.db2.gz RUBLHLUAVCRNAN-HNNXBMFYSA-N 1 0 273.326 3.851 1 0 CHAFRO CSc1ccc2[nH]c(C)c(C3=CC[NH2+]CC3)c2c1 ZINC000096910227 185129100 /nfs/dbraw/zinc/12/91/00/185129100.db2.gz PYXFRMLACHDGND-UHFFFAOYSA-N 1 0 258.390 3.575 1 0 CHAFRO CC(C)=CC[N@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C ZINC000000020242 169507048 /nfs/dbraw/zinc/50/70/48/169507048.db2.gz VOKSWYLNZZRQPF-NIKGAXFTSA-N 1 0 285.431 3.883 3 0 CHAFRO C[n+]1c(/C=C/c2ccc(O)cc2)ccc2ccccc21 ZINC000005258883 170080906 /nfs/dbraw/zinc/08/09/06/170080906.db2.gz MHXPBDRJBLYRCN-UHFFFAOYSA-O 1 0 262.332 3.540 3 0 CHAFRO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000006596796 170217918 /nfs/dbraw/zinc/21/79/18/170217918.db2.gz QVNLIYAOGCQYRT-JZXOWHBKSA-N 1 0 273.420 3.621 1 0 CHAFRO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000026827230 171500546 /nfs/dbraw/zinc/50/05/46/171500546.db2.gz NLOSPVRQRDAXEJ-ROUUACIJSA-N 1 0 251.373 3.695 1 0 CHAFRO C[N@@H+]1Cc2ccc(O)cc2[C@@]12CCCCc1ccccc12 ZINC000027655519 171527902 /nfs/dbraw/zinc/52/79/02/171527902.db2.gz LYZOARALFKSOKJ-IBGZPJMESA-N 1 0 279.383 3.808 1 0 CHAFRO [NH3+]C[C@@H](c1ccccc1)c1ccc(O)c2ccccc21 ZINC000028654182 171569879 /nfs/dbraw/zinc/56/98/79/171569879.db2.gz JAKBGUOYOXGRPU-KRWDZBQOSA-N 1 0 263.340 3.636 1 0 CHAFRO Fc1ccc(-c2nc(C3CCCC3)nc3c2C[NH2+]CC3)cc1 ZINC000029126541 171586941 /nfs/dbraw/zinc/58/69/41/171586941.db2.gz JHWYCTGSHIXUNV-UHFFFAOYSA-N 1 0 297.377 3.586 1 0 CHAFRO C[C@@H]1[NH+]=C(NCCC2CCCCC2)Nc2ccccc21 ZINC000029130829 171587587 /nfs/dbraw/zinc/58/75/87/171587587.db2.gz LDIHEPKCCPFSSQ-ZDUSSCGKSA-N 1 0 271.408 3.898 1 0 CHAFRO C[C@H](C1=C(CC[NH+](C)C)Cc2ccccc21)c1cnccn1 ZINC000035804438 172422231 /nfs/dbraw/zinc/42/22/31/172422231.db2.gz AYEYSXMZCARQKR-AWEZNQCLSA-N 1 0 293.414 3.542 1 0 CHAFRO Cc1ccc2c(c1C)C[N@H+](C)C[C@H]2c1ccccc1 ZINC000038392919 174140692 /nfs/dbraw/zinc/14/06/92/174140692.db2.gz KJSYAMNHDJSTMY-SFHVURJKSA-N 1 0 251.373 3.881 1 0 CHAFRO c1ccc2c(c1)[nH]c1c2cc[n+]2c1C[C@@H]1CCCC[C@H]1C2 ZINC000040639272 174363833 /nfs/dbraw/zinc/36/38/33/174363833.db2.gz DMZFHYNTTBDYHR-KBPBESRZSA-O 1 0 277.391 3.971 1 0 CHAFRO c1ccc2c(c1)[nH]c1c2CCN2Cc3ccccc3[NH+]=C12 ZINC000049552067 526512432 /nfs/dbraw/zinc/51/24/32/526512432.db2.gz TZGQRNCWGBGNCJ-UHFFFAOYSA-N 1 0 273.339 3.618 1 0 CHAFRO c1ccc(Oc2cncc(C3=C[C@@H]4C[NH2+]C[C@H](C3)C4)c2)cc1 ZINC000095577958 185010843 /nfs/dbraw/zinc/01/08/43/185010843.db2.gz GTVWKLSULFFQST-CABCVRRESA-N 1 0 292.382 3.887 1 0 CHAFRO CCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1C ZINC000096927489 185130690 /nfs/dbraw/zinc/13/06/90/185130690.db2.gz ZVJMDVXJOBEMJR-INIZCTEOSA-N 1 0 274.408 3.588 1 0 CHAFRO Cn1c2ccccc2c2cc[n+](Cc3ccccc3)cc21 ZINC000096922756 185131274 /nfs/dbraw/zinc/13/12/74/185131274.db2.gz SFZUEPDEQSCYPZ-UHFFFAOYSA-N 1 0 273.359 3.667 1 0 CHAFRO CC(C)[NH2+]CCCc1ccc2c(c1)C=CC(C)(C)O2 ZINC000103221086 185817165 /nfs/dbraw/zinc/81/71/65/185817165.db2.gz JDEZKAFPFPACJN-UHFFFAOYSA-N 1 0 259.393 3.801 1 0 CHAFRO CSc1ccc(-c2c[n+]3ccccc3s2)cc1 ZINC000169318494 188657292 /nfs/dbraw/zinc/65/72/92/188657292.db2.gz HIZNDBCVIDLIHN-UHFFFAOYSA-N 1 0 258.391 3.876 1 0 CHAFRO CC[NH+](CC)CCCOc1ccnc2cc(Cl)ccc21 ZINC000040828465 184550357 /nfs/dbraw/zinc/55/03/57/184550357.db2.gz QVPCFVMMDHTXJS-UHFFFAOYSA-N 1 0 292.810 3.999 1 0 CHAFRO COc1cc(C[C@@H](C)[NH3+])ccc1CCCc1ccccc1 ZINC000013809611 170596614 /nfs/dbraw/zinc/59/66/14/170596614.db2.gz AKYIEPLSCWRCPO-OAHLLOKOSA-N 1 0 283.415 3.760 1 0 CHAFRO CC(C)=CC[NH2+][C@@H](C)Cn1c(=S)[nH]c2ccccc21 ZINC000027630009 171524813 /nfs/dbraw/zinc/52/48/13/171524813.db2.gz ZWEYTKILZXURNB-LBPRGKRZSA-N 1 0 275.421 3.643 1 0 CHAFRO C[NH+](C)C[C@H]1CCc2cccc3c4c(n1c32)CCCC4 ZINC000028105910 171547979 /nfs/dbraw/zinc/54/79/79/171547979.db2.gz RYXIFIYFXTWNOJ-CQSZACIVSA-N 1 0 268.404 3.569 1 0 CHAFRO c1ccc(C2=CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000040422686 174258558 /nfs/dbraw/zinc/25/85/58/174258558.db2.gz AWYPHZMWGAOGIC-UHFFFAOYSA-N 1 0 277.367 3.633 1 0 in-vivo CHAFRO c1cc2ccc([C@@]3(Cc4ccccc4)CC[NH2+]C3)cc2[nH]1 ZINC000040864298 174426198 /nfs/dbraw/zinc/42/61/98/174426198.db2.gz VHOZFHYPZOTVKS-LJQANCHMSA-N 1 0 276.383 3.642 1 0 CHAFRO CC[NH2+]Cc1cccc(-c2ccc3ccnc(N)c3c2)c1 ZINC000045187972 175326218 /nfs/dbraw/zinc/32/62/18/175326218.db2.gz BXUAPKAQVAGTRR-UHFFFAOYSA-N 1 0 277.371 3.594 1 0 CHAFRO Fc1ccc(COc2ccccc2C2CC[NH2+]CC2)cc1 ZINC000045287918 175353876 /nfs/dbraw/zinc/35/38/76/175353876.db2.gz QJRQNVRAJVCSDH-UHFFFAOYSA-N 1 0 285.362 3.872 1 0 in-vivo CHAFRO Fc1cccc(OCc2ccccc2)c1C1CC[NH2+]CC1 ZINC000045289533 175353905 /nfs/dbraw/zinc/35/39/05/175353905.db2.gz WEBWNOZIRPUGTR-UHFFFAOYSA-N 1 0 285.362 3.872 1 0 in-vivo CHAFRO C[N@@H+]1[C@@H](Cc2ccccc2)CC[C@H]1Cc1ccccc1 ZINC000045317308 175358026 /nfs/dbraw/zinc/35/80/26/175358026.db2.gz FSPNFPLGHOHBGT-KDURUIRLSA-N 1 0 265.400 3.935 1 0 CHAFRO NC(=[NH2+])Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000071334113 176126621 /nfs/dbraw/zinc/12/66/21/176126621.db2.gz LBEHTGGQWGRASI-UHFFFAOYSA-N 1 0 291.807 3.938 1 0 CHAFRO Cc1ccc([C@@H](O)C[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC000072105436 176316464 /nfs/dbraw/zinc/31/64/64/176316464.db2.gz MMJRHSLJFLGUJR-ROUUACIJSA-N 1 0 267.372 3.605 1 0 CHAFRO Cc1c(C)c(C)c(C[N+]2=CN3CCCC[C@@H]3C2)c(C)c1C ZINC000072120529 176319700 /nfs/dbraw/zinc/31/97/00/176319700.db2.gz QHDGXTUZPPTAIZ-GOSISDBHSA-N 1 0 285.455 3.638 1 0 CHAFRO c1cc([C@@H]2CCCO2)ccc1OCCC[NH+]1CCCCC1 ZINC000072178751 176334702 /nfs/dbraw/zinc/33/47/02/176334702.db2.gz HRANJBOYBLKELU-SFHVURJKSA-N 1 0 289.419 3.793 1 0 CHAFRO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C)C2)co1 ZINC000072179856 176334883 /nfs/dbraw/zinc/33/48/83/176334883.db2.gz HXDAUKUQUQAQIU-ZDUSSCGKSA-N 1 0 270.376 3.882 1 0 CHAFRO C[C@H]([NH2+]Cc1coc(-c2ccc(O)cc2)n1)C(C)(C)C ZINC000072183063 176335192 /nfs/dbraw/zinc/33/51/92/176335192.db2.gz GYFAQQVCDJRJGM-NSHDSACASA-N 1 0 274.364 3.571 1 0 CHAFRO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000073225018 176462835 /nfs/dbraw/zinc/46/28/35/176462835.db2.gz PAXGPAVOMLKKDQ-IAOVAPTHSA-N 1 0 295.382 3.665 1 0 CHAFRO c1ccc2c(c1)NC13CCC4(CCC[N@@H+]5CC[C@@]21[C@H]54)CC3 ZINC000013373731 560215341 /nfs/dbraw/zinc/21/53/41/560215341.db2.gz BIBZWCCWSCCFBB-UGXKVIGPSA-N 1 0 280.415 3.531 1 0 biogenic,in-vitro CHAFRO CC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914800 185129352 /nfs/dbraw/zinc/12/93/52/185129352.db2.gz LMBRJLRGBKDCQE-CQSZACIVSA-N 1 0 286.202 3.666 1 0 CHAFRO COc1ccc(-c2cccc(C)c2)cc1[C@H]1C[C@@H]1C[NH3+] ZINC000084616525 178904641 /nfs/dbraw/zinc/90/46/41/178904641.db2.gz CZJVDPYUZWPMDA-CVEARBPZSA-N 1 0 267.372 3.733 1 0 CHAFRO C[C@H](O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)[NH2+]1 ZINC000014921131 290873319 /nfs/dbraw/zinc/87/33/19/290873319.db2.gz LWYXLXAMDLNBFQ-XWTMOSNGSA-N 1 0 299.499 3.770 1 0 biogenic,in-vitro CHAFRO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)[N@@H+]2C ZINC000005818688 170143437 /nfs/dbraw/zinc/14/34/37/170143437.db2.gz PZEAJTAVRYLBTK-LHHMISFZSA-N 1 0 271.404 3.540 1 0 CHAFRO CCC[NH+](CCC)[C@@H]1CCc2ccc3c(C=O)c[nH]c3c2C1 ZINC000013738700 170585159 /nfs/dbraw/zinc/58/51/59/170585159.db2.gz QKAOUELTNSQJKI-MRXNPFEDSA-N 1 0 298.430 3.960 1 0 CHAFRO C[C@@H]([NH3+])CC(c1cccc(F)c1)c1cccc(F)c1 ZINC000026478942 171486902 /nfs/dbraw/zinc/48/69/02/171486902.db2.gz MUQMLGUUEJSAQI-LLVKDONJSA-N 1 0 261.315 3.834 1 0 CHAFRO C[NH+](C)CCCCOc1ccccc1Cc1ccccc1O ZINC000029246307 171591543 /nfs/dbraw/zinc/59/15/43/171591543.db2.gz OXNOAXKULWAQMI-UHFFFAOYSA-N 1 0 299.414 3.704 1 0 CHAFRO COc1ccc(Oc2ccccc2C[NH+](C)C)cc1 ZINC000040414177 174254861 /nfs/dbraw/zinc/25/48/61/174254861.db2.gz YZSUSCODCJEDGG-UHFFFAOYSA-N 1 0 257.333 3.549 1 0 CHAFRO C[C@H](C[NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1 ZINC000045245764 175336441 /nfs/dbraw/zinc/33/64/41/175336441.db2.gz SYMAJWVHHBJSJV-SNVBAGLBSA-N 1 0 253.773 3.547 1 0 in-vitro CHAFRO Cc1cc(C(=O)[C@H](C)[NH2+]C(C)(C)C)ccc1Br ZINC000045246041 175336480 /nfs/dbraw/zinc/33/64/80/175336480.db2.gz PFEJBPNFLAFPKN-JTQLQIEISA-N 1 0 298.224 3.717 1 0 in-vitro CHAFRO COc1ccc(C=Cc2cc(N)c3ccccc3[nH+]2)cc1 ZINC000045303134 175355408 /nfs/dbraw/zinc/35/54/08/175355408.db2.gz DZLKNXJRIUHAEY-RMKNXTFCSA-N 1 0 276.339 3.826 1 0 CHAFRO COc1ccc2c(ccc3c2[C@@H](C[NH3+])c2ccccc2C3)c1 ZINC000045364082 175362629 /nfs/dbraw/zinc/36/26/29/175362629.db2.gz OKSDPUBPIUWZPV-IBGZPJMESA-N 1 0 289.378 3.843 1 0 CHAFRO C[N@H+](Cc1coc(-c2ccco2)n1)C1CCCCC1 ZINC000072103100 176315701 /nfs/dbraw/zinc/31/57/01/176315701.db2.gz CVBBRSMEHAMUAE-UHFFFAOYSA-N 1 0 260.337 3.699 1 0 CHAFRO c1ncc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)o1 ZINC000072179668 176334783 /nfs/dbraw/zinc/33/47/83/176334783.db2.gz BRGURMHCXCHXFJ-UHFFFAOYSA-N 1 0 286.375 3.596 1 0 CHAFRO C[NH2+][C@@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000058668807 522397912 /nfs/dbraw/zinc/39/79/12/522397912.db2.gz UYTHYGZZXKWLPU-FQBWVUSXSA-N 1 0 285.431 3.836 1 0 CHAFRO COc1ccc(-c2ccc3c(c2)[C@H]2C[C@@H]3CC[NH2+]2)cc1 ZINC000061942465 523140576 /nfs/dbraw/zinc/14/05/76/523140576.db2.gz GZBXRKDEAZGMBQ-KBXCAEBGSA-N 1 0 265.356 3.884 1 0 CHAFRO C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)C/C=C\c1ccccc1 ZINC000011678336 560211438 /nfs/dbraw/zinc/21/14/38/560211438.db2.gz YMJMZFPZRVMNCH-UADXBAOUSA-N 1 0 281.399 3.754 1 0 in-vitro CHAFRO CCCO[C@H](c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000095555920 185008066 /nfs/dbraw/zinc/00/80/66/185008066.db2.gz KGWCLBPCJLUGQJ-CYBMUJFWSA-N 1 0 274.191 3.681 1 0 CHAFRO Oc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c2cccnc12 ZINC000095565535 185010228 /nfs/dbraw/zinc/01/02/28/185010228.db2.gz DINRXEVRIACUOW-LSDHHAIUSA-N 1 0 296.414 3.953 1 0 CHAFRO Cc1cccc2c1C[N@H+](C)C[C@@H]2c1ccc(F)c(F)c1 ZINC000095563391 185010396 /nfs/dbraw/zinc/01/03/96/185010396.db2.gz RUBLHLUAVCRNAN-OAHLLOKOSA-N 1 0 273.326 3.851 1 0 CHAFRO Cc1cc([C@H]2C[N@@H+](C)Cc3ccccc32)ccc1F ZINC000095563357 185010775 /nfs/dbraw/zinc/01/07/75/185010775.db2.gz OBNBMYWZKYYXNS-MRXNPFEDSA-N 1 0 255.336 3.711 1 0 CHAFRO CC[NH+](CC)CCCCOc1ccc2ncccc2c1 ZINC000095594375 185014580 /nfs/dbraw/zinc/01/45/80/185014580.db2.gz WDPACGFXFYHNNP-UHFFFAOYSA-N 1 0 272.392 3.736 1 0 CHAFRO Cc1[nH]c2ccc(Br)cc2c1C1=CC[NH2+]CC1 ZINC000096910224 185129585 /nfs/dbraw/zinc/12/95/85/185129585.db2.gz CYOVOZKUTSWUJD-UHFFFAOYSA-N 1 0 291.192 3.616 1 0 CHAFRO CCCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1C ZINC000096927490 185131230 /nfs/dbraw/zinc/13/12/30/185131230.db2.gz MYBPVOLTQKMVJS-QGZVFWFLSA-N 1 0 288.435 3.978 1 0 CHAFRO CC[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2[NH3+] ZINC000169332808 188659434 /nfs/dbraw/zinc/65/94/34/188659434.db2.gz FTXWTLYPLJEHHI-RRQGHBQHSA-N 1 0 259.393 3.504 1 0 CHAFRO c1ccc([C@@H]2SCC3=[NH+]c4ccccc4CN32)cc1 ZINC000006003078 170167404 /nfs/dbraw/zinc/16/74/04/170167404.db2.gz UIJBIPJELNWLPG-INIZCTEOSA-N 1 0 266.369 3.978 1 0 CHAFRO C[NH+](C)[C@H]1Cc2ccccc2[C@@](C)(c2ccccc2)C1 ZINC000026827642 171500420 /nfs/dbraw/zinc/50/04/20/171500420.db2.gz CXLAYHSKSLEWPR-PKOBYXMFSA-N 1 0 265.400 3.869 1 0 CHAFRO C[NH+](C)[C@H]1Cc2ccccc2[C@@H](c2ccc(F)cc2)C1 ZINC000026827226 171500624 /nfs/dbraw/zinc/50/06/24/171500624.db2.gz BENDTRBVBYXEFO-FUHWJXTLSA-N 1 0 269.363 3.834 1 0 CHAFRO Cc1cc(C)c(-n2ccc(CC[NH+](C)C)c2)c(C)c1 ZINC000028821757 171576562 /nfs/dbraw/zinc/57/65/62/171576562.db2.gz MPNGKNUZSMHWPT-UHFFFAOYSA-N 1 0 256.393 3.507 1 0 CHAFRO C[NH+](C)[C@H]1C[C@H](c2ccccc2)N(c2ccccc2)C1 ZINC000033506727 171808599 /nfs/dbraw/zinc/80/85/99/171808599.db2.gz XSHXQKNIJVTSLI-ZWKOTPCHSA-N 1 0 266.388 3.568 1 0 CHAFRO C[NH2+]C[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C ZINC000040380339 174249867 /nfs/dbraw/zinc/24/98/67/174249867.db2.gz OQRZMLVFIJAOKO-MAUKXSAKSA-N 1 0 267.372 3.507 1 0 CHAFRO C[N@H+](Cc1ccccc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000040401768 174253251 /nfs/dbraw/zinc/25/32/51/174253251.db2.gz UFCRCJHXSYFSGD-QGZVFWFLSA-N 1 0 265.356 3.836 1 0 CHAFRO Cc1ccc(C[NH2+]Cc2ccc(O)c3ncccc23)cc1 ZINC000040402826 174253795 /nfs/dbraw/zinc/25/37/95/174253795.db2.gz NBMGFSVUCFXOOP-UHFFFAOYSA-N 1 0 278.355 3.539 1 0 CHAFRO COc1cc(O)cc2c1C[N@H+](Cc1ccccc1)C(C)(C)C2 ZINC000040420875 174258050 /nfs/dbraw/zinc/25/80/50/174258050.db2.gz NPSJFNHGIVQSKO-UHFFFAOYSA-N 1 0 297.398 3.738 1 0 CHAFRO C[NH2+]C[C@H]1CCc2ccccc2[C@H]1Oc1ccccc1C ZINC000040428687 174258887 /nfs/dbraw/zinc/25/88/87/174258887.db2.gz CBIWVBLPTDWHKB-APWZRJJASA-N 1 0 281.399 3.897 1 0 CHAFRO Clc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1CO2 ZINC000040651382 174364833 /nfs/dbraw/zinc/36/48/33/174364833.db2.gz BVNLTQWFLUIWRX-RHSMWYFYSA-N 1 0 299.801 3.948 1 0 CHAFRO C[C@@H](Oc1ccccc1C1CCCCC1)C1=[NH+]CCN1 ZINC000040836200 174418508 /nfs/dbraw/zinc/41/85/08/174418508.db2.gz RIMQFOFQYZBTDB-CYBMUJFWSA-N 1 0 272.392 3.503 1 0 CHAFRO c1c(-c2ccccc2)noc1C1=CCC[C@@H]2CC[C@H]1[NH2+]2 ZINC000072179507 176334746 /nfs/dbraw/zinc/33/47/46/176334746.db2.gz IPHAQVCLGKKESE-UKRRQHHQSA-N 1 0 266.344 3.639 1 0 CHAFRO C[NH+](C)CC1(c2ccc(F)c(F)c2)CCCCC1 ZINC000066079018 524047847 /nfs/dbraw/zinc/04/78/47/524047847.db2.gz PUCWXLYHLYMUCG-UHFFFAOYSA-N 1 0 253.336 3.728 1 0 CHAFRO COc1ccc(O[C@H]2C[C@@H]([NH+](C)C)c3ccccc32)cc1 ZINC000045495496 524989039 /nfs/dbraw/zinc/98/90/39/524989039.db2.gz DQMYTSCZLQLEID-MSOLQXFVSA-N 1 0 283.371 3.822 1 0 CHAFRO Nc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3[NH2+]4)cnc2Cl)cc1 ZINC000049111956 527463468 /nfs/dbraw/zinc/46/34/68/527463468.db2.gz GGWGPLLUTLHANR-SQWLQELKSA-N 1 0 299.805 3.592 1 0 CHAFRO CCC[NH+](CCC)[C@@H]1CCc2cc3c(cc2C1)OCC3 ZINC000003809862 560189728 /nfs/dbraw/zinc/18/97/28/560189728.db2.gz IJICKINLCUKIHY-QGZVFWFLSA-N 1 0 273.420 3.601 1 0 in-vitro CHAFRO Oc1ccc(C[NH2+][C@@H]2CCc3ccccc32)c2cccnc12 ZINC000095565790 185010627 /nfs/dbraw/zinc/01/06/27/185010627.db2.gz IPOJDISBLICLPS-QGZVFWFLSA-N 1 0 290.366 3.718 1 0 CHAFRO C[N@@H+]1CC[C@H]2c3ccccc3[C@H](c3ccccc3)[C@H]2C1 ZINC000095613497 185015834 /nfs/dbraw/zinc/01/58/34/185015834.db2.gz YNCZOUOXGYIZTI-WDSOQIARSA-N 1 0 263.384 3.867 1 0 CHAFRO C/C=C\[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169319895 188657212 /nfs/dbraw/zinc/65/72/12/188657212.db2.gz ZSLIVJZCDVJLTG-GCYLBTGRSA-N 1 0 283.415 3.984 1 0 CHAFRO CCCC[NH+]1CCN(c2cccc3ccccc32)CC1 ZINC000028762429 134753355 /nfs/dbraw/zinc/75/33/55/134753355.db2.gz PKKYLYUHKIVDGQ-UHFFFAOYSA-N 1 0 268.404 3.762 1 0 CHAFRO CCCCCCn1c2c(c(=[NH2+])c3c1CCCC3)CCC2 ZINC000005297746 170084119 /nfs/dbraw/zinc/08/41/19/170084119.db2.gz POPDYOBLLPLQDF-UHFFFAOYSA-N 1 0 272.436 3.915 1 0 CHAFRO CCC(=O)Oc1cccc([C@]23C[C@H](CCC2)[N@H+](C)[C@@H]3C)c1 ZINC000005459604 170101255 /nfs/dbraw/zinc/10/12/55/170101255.db2.gz NZIIUCRTIWXMPW-XUWXXGDYSA-N 1 0 287.403 3.516 1 0 CHAFRO CCC[NH+](CCC)[C@H]1CCc2c(OC)ccc(OC)c2C1 ZINC000005833062 170144972 /nfs/dbraw/zinc/14/49/72/170144972.db2.gz OGYDMHQMRVUGRF-AWEZNQCLSA-N 1 0 291.435 3.683 1 0 CHAFRO CC[C@@H]1C[C@H]2C[C@@H]3c4[nH]c5ccc(O)cc5c4CC[N@@H+](C2)[C@H]13 ZINC000006002296 170167270 /nfs/dbraw/zinc/16/72/70/170167270.db2.gz RAUCDOKTMDOIPF-REVCEQPZSA-N 1 0 296.414 3.634 1 0 CHAFRO C[N@@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@@H]3CCC[C@@H]1[C@]32C ZINC000006482519 170204825 /nfs/dbraw/zinc/20/48/25/170204825.db2.gz WNQXOYACRBTJQJ-PIKADFDJSA-N 1 0 285.431 3.717 1 0 CHAFRO Cc1ccc(Nc2cc(Nc3cc[nH+]cc3)ncn2)cc1 ZINC000006793931 170244438 /nfs/dbraw/zinc/24/44/38/170244438.db2.gz GSMQYCAVUGQOCR-UHFFFAOYSA-N 1 0 277.331 3.667 1 0 CHAFRO C[C@@H](COc1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000013519902 170557788 /nfs/dbraw/zinc/55/77/88/170557788.db2.gz YMXSQORRHQQKJH-ZDUSSCGKSA-N 1 0 267.800 3.839 1 0 CHAFRO C[NH+](C)CCn1ccc2ccc(-c3ccsc3)cc21 ZINC000013587949 170566342 /nfs/dbraw/zinc/56/63/42/170566342.db2.gz CLSIBRBBGYDTFD-UHFFFAOYSA-N 1 0 270.401 3.931 1 0 CHAFRO C[C@@H](CCN1CC[NH+]=C1Nc1ccccc1)c1ccccc1 ZINC000015924697 170682312 /nfs/dbraw/zinc/68/23/12/170682312.db2.gz NTJMXHLQXCIYGX-INIZCTEOSA-N 1 0 293.414 3.964 3 0 CHAFRO O[C@H]1CCCC[C@@H]1[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000028236207 171552898 /nfs/dbraw/zinc/55/28/98/171552898.db2.gz OPBZGCRRDODBBI-IRXDYDNUSA-N 1 0 291.822 3.733 1 0 CHAFRO NC(=[NH2+])Nc1c2cc(Cl)ccc2[nH]c1Cc1ccccc1 ZINC000028713393 171572019 /nfs/dbraw/zinc/57/20/19/171572019.db2.gz YGCKSGSYBABFJJ-UHFFFAOYSA-N 1 0 298.777 3.717 1 0 CHAFRO CCC(C)(C)[NH2+][C@@H](C)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000045192862 175326747 /nfs/dbraw/zinc/32/67/47/175326747.db2.gz SZXMVRRDNBTGDP-GXFFZTMASA-N 1 0 289.341 3.906 1 0 CHAFRO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cn1C)c1ccccc1 ZINC000045255433 175336911 /nfs/dbraw/zinc/33/69/11/175336911.db2.gz KSUIASXUBJJSAE-OAHLLOKOSA-N 1 0 291.398 3.938 1 0 CHAFRO Fc1cccc(Oc2ncccc2C2CC[NH2+]CC2)c1F ZINC000045393891 175376265 /nfs/dbraw/zinc/37/62/65/175376265.db2.gz YTQLIVFAWSALJC-UHFFFAOYSA-N 1 0 290.313 3.619 1 0 CHAFRO CCc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cccc(O)c1 ZINC000071294898 176112139 /nfs/dbraw/zinc/11/21/39/176112139.db2.gz AYXNDTUKYAJWFL-GOSISDBHSA-N 1 0 292.382 3.671 1 0 CHAFRO Fc1ccc(CC[NH+]2C3CC4CC(C3)CC2C4)cc1 ZINC000072104583 176315910 /nfs/dbraw/zinc/31/59/10/176315910.db2.gz GFOHMXCFZWSJMJ-UHFFFAOYSA-N 1 0 259.368 3.631 1 0 CHAFRO Cc1ccccc1-c1nc(C[NH+]2CCC(C)CC2)co1 ZINC000072102380 176315915 /nfs/dbraw/zinc/31/59/15/176315915.db2.gz WFESSOROHDYALR-UHFFFAOYSA-N 1 0 270.376 3.882 1 0 CHAFRO C[n+]1ccc(/C=C/c2ccc(F)cc2)c2ccccc21 ZINC000036382710 567889273 /nfs/dbraw/zinc/88/92/73/567889273.db2.gz HFYKAGBJTFZUCB-RMKNXTFCSA-N 1 0 264.323 3.974 1 0 CHAFRO Cc1ccccc1O[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000095591091 185014446 /nfs/dbraw/zinc/01/44/46/185014446.db2.gz YHCLEHAMAKETBI-WMZOPIPTSA-N 1 0 267.372 3.725 1 0 CHAFRO CCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000096927500 185131612 /nfs/dbraw/zinc/13/16/12/185131612.db2.gz ZQENSTSMSQWYMI-OAHLLOKOSA-N 1 0 274.408 3.506 1 0 CHAFRO c1ccc(-c2cccc(N3CC4(C3)CC[NH2+]CC4)c2)cc1 ZINC000003956339 169926160 /nfs/dbraw/zinc/92/61/60/169926160.db2.gz OSZPSFZYYBYAQU-UHFFFAOYSA-N 1 0 278.399 3.543 1 0 CHAFRO c1ccc(-c2ccc(N3CC[C@]4(C3)CCC[NH2+]C4)cc2)cc1 ZINC000003956383 169926397 /nfs/dbraw/zinc/92/63/97/169926397.db2.gz VIQJQGAWSKYRNH-HXUWFJFHSA-N 1 0 292.426 3.934 1 0 CHAFRO Cc1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccccc3)CC[C@@H]1N2 ZINC000039242250 174166777 /nfs/dbraw/zinc/16/67/77/174166777.db2.gz KCRXPTSQSKHRCL-MJGOQNOKSA-N 1 0 278.399 3.779 1 0 CHAFRO Fc1cccc(C2CC[NH2+]CC2)c1OCc1ccccc1 ZINC000045318958 175358730 /nfs/dbraw/zinc/35/87/30/175358730.db2.gz ONPYWJJNTLFDAR-UHFFFAOYSA-N 1 0 285.362 3.872 1 0 in-vivo CHAFRO NC(=[NH2+])c1cc2c(cccc2OCc2ccccc2)s1 ZINC000045355871 175361946 /nfs/dbraw/zinc/36/19/46/175361946.db2.gz BMADCBRXHDOABZ-UHFFFAOYSA-N 1 0 282.368 3.764 1 0 in-vivo CHAFRO CC[C@]12CCC[N@@H+]3CC[C@]4(c5ccccc5N[C@@H]4CC1)[C@H]32 ZINC000100773298 571818021 /nfs/dbraw/zinc/81/80/21/571818021.db2.gz YAAIPCQYJYPITK-AKHDSKFASA-N 1 0 282.431 3.777 1 0 endogenous,in-man CHAFRO Cc1ccncc1-c1cccc2c1ncn2-c1cc[nH+]cc1 ZINC000095561997 185009606 /nfs/dbraw/zinc/00/96/06/185009606.db2.gz PLGGFCHPEADAOI-UHFFFAOYSA-N 1 0 286.338 3.791 1 0 CHAFRO Fc1cc(F)cc(O[C@H](c2ccccc2)[C@@H]2CC[NH2+]C2)c1 ZINC000095586959 185012646 /nfs/dbraw/zinc/01/26/46/185012646.db2.gz UAGADFQXODVTNQ-CXAGYDPISA-N 1 0 289.325 3.694 1 0 CHAFRO C[N@@H+]1CCC[C@H]2[C@H](c3ccc(N)cc3)c3ccccc3[C@H]21 ZINC000002017636 169767846 /nfs/dbraw/zinc/76/78/46/169767846.db2.gz OKNQPPQXEDUWAI-IPMKNSEASA-N 1 0 278.399 3.797 1 0 CHAFRO CC(C)=CCOc1ccc(Cl)c2c1CC[N@H+](C)CC2 ZINC000005158824 170072127 /nfs/dbraw/zinc/07/21/27/170072127.db2.gz MBYSTKNEMJZSIK-UHFFFAOYSA-N 1 0 279.811 3.715 3 0 in-vivo CHAFRO CC[C@@H]([NH2+]C(C)(C)C)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000027655480 171527065 /nfs/dbraw/zinc/52/70/65/171527065.db2.gz BPVSDUPTQWHFRY-CHWSQXEVSA-N 1 0 289.341 3.906 1 0 CHAFRO COc1ccc(-c2ccc3c(c2)C[C@@H]2C[NH2+]C[C@H]3C2)cc1 ZINC000028465142 171559001 /nfs/dbraw/zinc/55/90/01/171559001.db2.gz XDYLQNMRNGKDFX-SUMWQHHRSA-N 1 0 279.383 3.611 1 0 CHAFRO Fc1ccc(C[C@]2(c3ccc4[nH]ccc4c3)CC[NH2+]C2)cc1 ZINC000040379599 174250409 /nfs/dbraw/zinc/25/04/09/174250409.db2.gz RBNFIIOAQFISLC-LJQANCHMSA-N 1 0 294.373 3.781 1 0 in-vivo CHAFRO Cc1cccc(NC(=O)CCCC[NH+]2CCCCC2)c1 ZINC000045245789 175336264 /nfs/dbraw/zinc/33/62/64/175336264.db2.gz UUUXHSIGZOSBJB-UHFFFAOYSA-N 1 0 274.408 3.590 1 0 CHAFRO c1ccc(COc2ccc([C@H]3C[NH2+]CCS3)cc2)cc1 ZINC000045357830 175362027 /nfs/dbraw/zinc/36/20/27/175362027.db2.gz JTMKALFHDSWYGH-QGZVFWFLSA-N 1 0 285.412 3.643 1 0 in-vivo CHAFRO c1ccc(C[NH2+]CC[C@@H]2CCO[C@H](c3ccccc3)O2)cc1 ZINC000071280793 176108648 /nfs/dbraw/zinc/10/86/48/176108648.db2.gz JLNLKCUPVSEAMW-MOPGFXCFSA-N 1 0 297.398 3.671 1 0 CHAFRO Cc1ccc([C@H](O)C[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC000072104635 176315697 /nfs/dbraw/zinc/31/56/97/176315697.db2.gz MMJRHSLJFLGUJR-QZTJIDSGSA-N 1 0 267.372 3.605 1 0 CHAFRO Fc1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)co2)c1 ZINC000072180657 176334541 /nfs/dbraw/zinc/33/45/41/176334541.db2.gz MMZBZXRXPVLCGE-HWWQOWPSSA-N 1 0 286.350 3.759 1 0 CHAFRO CCC[NH+](CCC)[C@H]1CCc2cc3c(cc2C1)OCC3 ZINC000000006227 560176636 /nfs/dbraw/zinc/17/66/36/560176636.db2.gz IJICKINLCUKIHY-KRWDZBQOSA-N 1 0 273.420 3.601 1 0 in-vitro CHAFRO Clc1ccc([C@H](OCc2ccccc2)C2C[NH2+]C2)cc1 ZINC000095552636 185008069 /nfs/dbraw/zinc/00/80/69/185008069.db2.gz RHIUMSWZYGXPFR-KRWDZBQOSA-N 1 0 287.790 3.817 1 0 CHAFRO c1ccc(-c2ccc(C3=C[C@H]4C[NH2+]C[C@@H](C3)C4)cn2)cc1 ZINC000095580255 185011395 /nfs/dbraw/zinc/01/13/95/185011395.db2.gz ULUVSICUEWOINW-LSDHHAIUSA-N 1 0 276.383 3.761 1 0 CHAFRO CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)[N@@H+]1C ZINC000095587080 185012170 /nfs/dbraw/zinc/01/21/70/185012170.db2.gz ZBJGGLXQNXXXRO-VCZRHBNQSA-N 1 0 263.425 3.689 1 0 CHAFRO CCCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1C ZINC000096927491 185131543 /nfs/dbraw/zinc/13/15/43/185131543.db2.gz MYBPVOLTQKMVJS-KRWDZBQOSA-N 1 0 288.435 3.978 1 0 CHAFRO CCC[NH+](CCC)[C@H]1Cc2c[nH]c3ccc(OC)c(c23)C1 ZINC000000004696 169504650 /nfs/dbraw/zinc/50/46/50/169504650.db2.gz BMZWFSGTPJUKJR-AWEZNQCLSA-N 1 0 286.419 3.766 1 0 CHAFRO CC[C@]12CCC[C@H]1[N@H+](C)CC=C2c1cccc(O)c1 ZINC000005955112 170162352 /nfs/dbraw/zinc/16/23/52/170162352.db2.gz WCBNTIVXKGADOG-IAGOWNOFSA-N 1 0 257.377 3.670 1 0 CHAFRO Cc1nc2cc(C[N@@H+]3CCC[C@@H]3c3ccccn3)ccc2[nH]1 ZINC000020637953 171268469 /nfs/dbraw/zinc/26/84/69/171268469.db2.gz ZIFHWDBIXBPEEX-GOSISDBHSA-N 1 0 292.386 3.603 1 0 CHAFRO [NH3+][C@@H]1CCCc2ccc(SCc3ccccc3)cc2[C@H]1O ZINC000026580012 171494046 /nfs/dbraw/zinc/49/40/46/171494046.db2.gz QEICEODSFCDTQU-QZTJIDSGSA-N 1 0 299.439 3.676 1 0 CHAFRO CCC[N@H+](C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 ZINC000027431219 171517135 /nfs/dbraw/zinc/51/71/35/171517135.db2.gz JSEXLEGBBZMMOQ-RTBURBONSA-N 1 0 281.399 3.791 1 0 CHAFRO CCC[NH2+][C@@H]1CCc2cccc(OC)c2[C@@H]1CC1CC1 ZINC000027737459 171530685 /nfs/dbraw/zinc/53/06/85/171530685.db2.gz FGJAWRMTLRQIGI-HZPDHXFCSA-N 1 0 273.420 3.893 1 0 CHAFRO CCC(=O)N(c1ccccc1Cl)[C@H]1CCC[C@@H]1[NH+](C)C ZINC000028239724 171553207 /nfs/dbraw/zinc/55/32/07/171553207.db2.gz GESQWVZHOYQTJU-GJZGRUSLSA-N 1 0 294.826 3.566 1 0 CHAFRO COc1ccc2[nH]cc(C3=CC[C@@H]([NH+](C)C)CC3)c2c1 ZINC000028819431 171576240 /nfs/dbraw/zinc/57/62/40/171576240.db2.gz FRKAYKQOAZNGPA-CYBMUJFWSA-N 1 0 270.376 3.674 1 0 CHAFRO C[NH+](C)C[C@@H]1C[C@@H]2c3ccccc3Oc3ccccc3[C@@H]2O1 ZINC000038352832 174140895 /nfs/dbraw/zinc/14/08/95/174140895.db2.gz KUCRPWOVGMMXDP-CRFBAAHOSA-N 1 0 295.382 3.968 1 0 CHAFRO C[NH2+]Cc1ccccc1Cc1ccc(SC)cc1 ZINC000040422718 174258401 /nfs/dbraw/zinc/25/84/01/174258401.db2.gz GVAGNJNCGNKLIE-UHFFFAOYSA-N 1 0 257.402 3.719 1 0 CHAFRO COc1cc2cc(C)[n+]([C@H]3C=CC=CC3)c(C)c2c(OC)c1 ZINC000040584951 174345671 /nfs/dbraw/zinc/34/56/71/174345671.db2.gz RRSSZEDCMBGNEP-INIZCTEOSA-N 1 0 296.390 3.819 1 0 CHAFRO COc1ccc2c(c1)[C@@]13CC[C@@H](C)[C@H](C)[C@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC000040690569 174376869 /nfs/dbraw/zinc/37/68/69/174376869.db2.gz UVAMKQKDNCTETB-URYUKNHISA-N 1 0 299.458 3.875 1 0 CHAFRO C[N@H+]([C@@H]1CC(=O)c2ccccc21)[C@H]1CCc2ccccc2C1 ZINC000045314829 175357575 /nfs/dbraw/zinc/35/75/75/175357575.db2.gz JDSSYTXEXBCUIC-QFBILLFUSA-N 1 0 291.394 3.803 1 0 CHAFRO NC(=[NH2+])c1cc2ccc(OCc3cccs3)cc2s1 ZINC000045358298 175362195 /nfs/dbraw/zinc/36/21/95/175362195.db2.gz HMOXMZSYJXHPOX-UHFFFAOYSA-N 1 0 288.397 3.826 1 0 CHAFRO Fc1cccc(F)c1Oc1ncccc1C1CC[NH2+]CC1 ZINC000045365499 175362689 /nfs/dbraw/zinc/36/26/89/175362689.db2.gz RNYJGXWCOXRLAG-UHFFFAOYSA-N 1 0 290.313 3.619 1 0 CHAFRO COc1ccc2cc3c(cc2c1)[C@@H](C[NH3+])c1ccccc1C3 ZINC000045371911 175364445 /nfs/dbraw/zinc/36/44/45/175364445.db2.gz YCFWTCQCXNKWLE-FQEVSTJZSA-N 1 0 289.378 3.843 1 0 CHAFRO C[C@H]1Cc2ccc3c(c2O1)-c1cccc2c1[C@@H](C3)[N@H+](C)CC2 ZINC000045386248 175371686 /nfs/dbraw/zinc/37/16/86/175371686.db2.gz MSFBLSXHRFJARJ-YVEFUNNKSA-N 1 0 291.394 3.762 1 0 CHAFRO CCOc1ccccc1-c1nc(C[N@H+](C)CC(C)C)co1 ZINC000072186428 176335680 /nfs/dbraw/zinc/33/56/80/176335680.db2.gz NEPUURBAWLWFMP-UHFFFAOYSA-N 1 0 288.391 3.828 1 0 CHAFRO CN(C)c1ccccc1[C@@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC000014827660 560226963 /nfs/dbraw/zinc/22/69/63/560226963.db2.gz SAEPCOKFKLLTED-INIZCTEOSA-N 1 0 291.398 3.786 1 0 biogenic,in-vitro CHAFRO CC(=O)CCCCCCCCCC[C@@H]1CC[C@H](O)[C@H](C)[NH2+]1 ZINC000014921114 560227558 /nfs/dbraw/zinc/22/75/58/560227558.db2.gz QPRMGHKASRLPJP-KSZLIROESA-N 1 0 297.483 3.978 1 0 biogenic,in-vitro CHAFRO CCCO[C@@H](c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000095555919 185007913 /nfs/dbraw/zinc/00/79/13/185007913.db2.gz KGWCLBPCJLUGQJ-ZDUSSCGKSA-N 1 0 274.191 3.681 1 0 CHAFRO Clc1ccc([C@@H](OCc2ccccc2)C2C[NH2+]C2)cc1 ZINC000095552637 185008230 /nfs/dbraw/zinc/00/82/30/185008230.db2.gz RHIUMSWZYGXPFR-QGZVFWFLSA-N 1 0 287.790 3.817 1 0 CHAFRO Oc1ccc(C[NH2+][C@H]2CCc3ccccc32)c2cccnc12 ZINC000095565789 185010763 /nfs/dbraw/zinc/01/07/63/185010763.db2.gz IPOJDISBLICLPS-KRWDZBQOSA-N 1 0 290.366 3.718 1 0 CHAFRO C[N@H+]1[C@@H]2Cc3ccccc3[C@@H](c3ccccc32)[C@@H]1CCCO ZINC000095607537 185016201 /nfs/dbraw/zinc/01/62/01/185016201.db2.gz PNXXIGIOPISMQB-ZCNNSNEGSA-N 1 0 293.410 3.502 1 0 CHAFRO COc1cccc(-c2cccc([C@@]3(C)NC(=[NH2+])CS3)c2)c1 ZINC000096906031 185128087 /nfs/dbraw/zinc/12/80/87/185128087.db2.gz HQOFZPLMGHLAJL-KRWDZBQOSA-N 1 0 298.411 3.639 1 0 CHAFRO C[NH+](C)[C@H]1CCCC[C@@H]1OC/C=C/c1ccccc1 ZINC000096921520 185130524 /nfs/dbraw/zinc/13/05/24/185130524.db2.gz HYFJQSQZTSOCBD-BAMWUGHESA-N 1 0 259.393 3.589 1 0 CHAFRO CCC[N@@H+]1CCc2ccccc2[C@H]1Cc1ccc(O)cc1 ZINC000169324300 188658138 /nfs/dbraw/zinc/65/81/38/188658138.db2.gz YKYRFLVGUOEVLW-LJQANCHMSA-N 1 0 281.399 3.944 1 0 CHAFRO CCC[N@@H+]1[C@H](C)C[C@@H]2c3c(cccc3OC)CC[C@H]21 ZINC000026010228 171470773 /nfs/dbraw/zinc/47/07/73/171470773.db2.gz FWQJZNALGBTYNB-VHDGCEQUSA-N 1 0 259.393 3.598 1 0 CHAFRO COc1ccc(/C=C/c2cccc[n+]2C)c2ccccc12 ZINC000027883342 171536237 /nfs/dbraw/zinc/53/62/37/171536237.db2.gz ZULXIDKAPNYJMT-ZRDIBKRKSA-N 1 0 276.359 3.843 1 0 CHAFRO COc1cccc(-c2cc([C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)cnc2F)c1 ZINC000028379269 171557884 /nfs/dbraw/zinc/55/78/84/171557884.db2.gz QCMWMXIGXXDEEI-KMFMINBZSA-N 1 0 298.361 3.504 1 0 CHAFRO COc1cccc([C@@H]2[NH2+]CCn3c4ccccc4c(C)c32)c1 ZINC000028566718 171563864 /nfs/dbraw/zinc/56/38/64/171563864.db2.gz GNDOKCKCXRNMKV-SFHVURJKSA-N 1 0 292.382 3.651 1 0 CHAFRO Fc1ccc(N(c2ccc(F)cc2)C2CC[NH2+]CC2)cc1 ZINC000029558556 171603537 /nfs/dbraw/zinc/60/35/37/171603537.db2.gz PQZJYPDISMYCHU-UHFFFAOYSA-N 1 0 288.341 3.855 1 0 CHAFRO C[N@H+]1Cc2ccccc2[C@H](c2ccc(Cl)cc2)C1 ZINC000038600041 174149491 /nfs/dbraw/zinc/14/94/91/174149491.db2.gz UIVAIANIXTWVHO-INIZCTEOSA-N 1 0 257.764 3.917 1 0 CHAFRO C[N@H+](Cc1ccccc1)[C@H]1CCC(=O)c2ccccc21 ZINC000040401771 174253257 /nfs/dbraw/zinc/25/32/57/174253257.db2.gz UFCRCJHXSYFSGD-KRWDZBQOSA-N 1 0 265.356 3.836 1 0 CHAFRO C[NH2+]C[C@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C ZINC000040429068 174259123 /nfs/dbraw/zinc/25/91/23/174259123.db2.gz OQRZMLVFIJAOKO-CRAIPNDOSA-N 1 0 267.372 3.507 1 0 CHAFRO FC(F)(F)c1ccc(C2=C[C@@H]3CC[C@H](C2)[NH2+]3)cc1 ZINC000045260205 175337320 /nfs/dbraw/zinc/33/73/20/175337320.db2.gz TVAPTTJJXRUWFI-QWHCGFSZSA-N 1 0 253.267 3.613 1 0 CHAFRO c1ccc(C[C@H]2CC[C@@H](Cc3ccccc3)[NH2+]2)cc1 ZINC000045285599 175353663 /nfs/dbraw/zinc/35/36/63/175353663.db2.gz JWFLOEKZECISRU-HDICACEKSA-N 1 0 251.373 3.592 1 0 CHAFRO CCc1cc(OC)ccc1[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000045350010 175361878 /nfs/dbraw/zinc/36/18/78/175361878.db2.gz KTAAQEHLGMUIRW-LJQANCHMSA-N 1 0 281.399 3.987 1 0 CHAFRO Nc1[nH+]cc(-c2ccccc2)n1CCCc1ccccc1 ZINC000072105140 176316231 /nfs/dbraw/zinc/31/62/31/176316231.db2.gz XRQHIOQNCUZJBE-UHFFFAOYSA-N 1 0 277.371 3.765 1 0 CHAFRO Cc1cccc(Cn2c3ccccc3nc2C(C)(C)[NH3+])c1 ZINC000072116712 176318667 /nfs/dbraw/zinc/31/86/67/176318667.db2.gz FCSWVNRAEIIBCW-UHFFFAOYSA-N 1 0 279.387 3.587 1 0 CHAFRO CCCO[C@H](c1ccc2ccccc2c1)C1C[NH2+]C1 ZINC000095554194 185008316 /nfs/dbraw/zinc/00/83/16/185008316.db2.gz DWXUZONDTARNBN-QGZVFWFLSA-N 1 0 255.361 3.527 1 0 CHAFRO COC[C@@H](c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000096914806 185129459 /nfs/dbraw/zinc/12/94/59/185129459.db2.gz WPCVCSGUWPHUIG-GOSISDBHSA-N 1 0 269.388 3.569 1 0 CHAFRO Cc1c(O[C@@H](C)c2ccccc2)cccc1N1CC[NH2+]CC1 ZINC000040937770 134875126 /nfs/dbraw/zinc/87/51/26/134875126.db2.gz QUJJFIRUSWFDCL-INIZCTEOSA-N 1 0 296.414 3.545 1 0 CHAFRO CSC(=Cc1ccc2ccccc2[n+]1C)SC ZINC000006068485 170173635 /nfs/dbraw/zinc/17/36/35/170173635.db2.gz UKPWJRHLCXDICJ-UHFFFAOYSA-N 1 0 262.423 3.689 1 0 CHAFRO CCc1cnn(CCC[NH+](CC)CC)c1-c1ccccc1 ZINC000026576972 171493256 /nfs/dbraw/zinc/49/32/56/171493256.db2.gz UAYRWOSSKRAFLU-UHFFFAOYSA-N 1 0 285.435 3.844 1 0 CHAFRO NC(=[NH2+])Nc1c2ccccc2[nH]c1C1CCCCC1 ZINC000028713388 171572066 /nfs/dbraw/zinc/57/20/66/171572066.db2.gz WEDFWOAZYYKIBF-UHFFFAOYSA-N 1 0 256.353 3.521 1 0 CHAFRO Cc1ccc([C@@H]2C[N@@H+](C)Cc3cc(C)ccc32)cc1 ZINC000038392914 174140902 /nfs/dbraw/zinc/14/09/02/174140902.db2.gz LJEZBJASWTZZEM-SFHVURJKSA-N 1 0 251.373 3.881 1 0 CHAFRO COc1ccc2ccccc2c1CC[C@@H]1CC[C@@H](CC[NH3+])O1 ZINC000040393513 174252501 /nfs/dbraw/zinc/25/25/01/174252501.db2.gz DSDLGRNFGNGRFT-HOTGVXAUSA-N 1 0 299.414 3.677 1 0 CHAFRO CCc1ccccc1O[C@@H]1c2ccccc2OC[C@@H]1C[NH2+]C ZINC000040424979 174259133 /nfs/dbraw/zinc/25/91/33/174259133.db2.gz VVQIWKYSMSGPNS-KXBFYZLASA-N 1 0 297.398 3.597 1 0 CHAFRO c1ccc2c(c1)[nH]c1c2cc[n+]2c1C[C@H]1CCCC[C@H]1C2 ZINC000040639274 174363693 /nfs/dbraw/zinc/36/36/93/174363693.db2.gz DMZFHYNTTBDYHR-KGLIPLIRSA-O 1 0 277.391 3.971 1 0 CHAFRO c1ccc2c(c1)[nH]c1c2cc[n+]2c1C[C@H]1CCCC[C@@H]1C2 ZINC000040639270 174364026 /nfs/dbraw/zinc/36/40/26/174364026.db2.gz DMZFHYNTTBDYHR-ZIAGYGMSSA-O 1 0 277.391 3.971 1 0 CHAFRO Cn1ccc2cc([C@]3(Cc4ccccc4)CC[NH2+]C3)ccc21 ZINC000040865566 174426422 /nfs/dbraw/zinc/42/64/22/174426422.db2.gz OSXVIZKTSFAUPG-FQEVSTJZSA-N 1 0 290.410 3.652 1 0 in-vivo CHAFRO Cc1cc(C(=O)[C@@H](C)[NH2+]C(C)(C)C)ccc1Br ZINC000045246040 175336501 /nfs/dbraw/zinc/33/65/01/175336501.db2.gz PFEJBPNFLAFPKN-SNVBAGLBSA-N 1 0 298.224 3.717 1 0 in-vitro CHAFRO Fc1cccc(OCc2ccccc2C2CC[NH2+]CC2)c1 ZINC000045287058 175354054 /nfs/dbraw/zinc/35/40/54/175354054.db2.gz LGSKMJOUAMVJKK-UHFFFAOYSA-N 1 0 285.362 3.872 1 0 in-vivo CHAFRO C[C@@H]([NH2+]C1CCCC1)C(=O)c1cccc(Br)c1 ZINC000045368151 175363217 /nfs/dbraw/zinc/36/32/17/175363217.db2.gz ZZWUEOYQVWAKCJ-SNVBAGLBSA-N 1 0 296.208 3.553 1 0 in-vivo CHAFRO Cc1c[nH+]ccc1NCCn1ccnc1C1CCCCC1 ZINC000072154517 176327975 /nfs/dbraw/zinc/32/79/75/176327975.db2.gz VCBRBQFVAJNIMV-UHFFFAOYSA-N 1 0 284.407 3.746 1 0 CHAFRO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C)C2)co1 ZINC000072179857 176334545 /nfs/dbraw/zinc/33/45/45/176334545.db2.gz HXDAUKUQUQAQIU-CYBMUJFWSA-N 1 0 270.376 3.882 1 0 CHAFRO CCOc1cccc(-c2nc(C[N@H+](C)C(C)C)co2)c1 ZINC000072180655 176334815 /nfs/dbraw/zinc/33/48/15/176334815.db2.gz KWECXDCJDBGKSS-UHFFFAOYSA-N 1 0 274.364 3.581 1 0 CHAFRO CC(C)(C)C[N@@H+]1CCNC[C@H]1Cc1cccc2ccccc21 ZINC000061711144 518662503 /nfs/dbraw/zinc/66/25/03/518662503.db2.gz FSVMCDLIEBONRV-GOSISDBHSA-N 1 0 296.458 3.702 3 0 CHAFRO CC(C)=CC[N@H+]1[C@H](C)[C@H](C)n2c(=O)[nH]c3cccc(c32)[C@@H]1C ZINC000049112814 519430357 /nfs/dbraw/zinc/43/03/57/519430357.db2.gz WCYMGZLIZILJBZ-RDBSUJKOSA-N 1 0 299.418 3.622 1 0 CHAFRO CCCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)cc1C ZINC000096927503 185131672 /nfs/dbraw/zinc/13/16/72/185131672.db2.gz AACTVZJJNRYGCM-INIZCTEOSA-N 1 0 274.408 3.506 1 0 CHAFRO C[C@@]12CCC[C@@H]3C[C@@](C4CCCCC4)(C[C@H]([NH3+])[C@@H]31)O2 ZINC000085543357 290873316 /nfs/dbraw/zinc/87/33/16/290873316.db2.gz XFZBEYXNZXREIM-LBWNCTQTSA-N 1 0 263.425 3.632 1 0 biogenic,in-vitro CHAFRO CCCCOc1ccc(C2=[NH+]CCCN2)c2ccccc12 ZINC000169322368 188658302 /nfs/dbraw/zinc/65/83/02/188658302.db2.gz GZYNPEDOONQQHY-UHFFFAOYSA-N 1 0 282.387 3.759 1 0 CHAFRO CSc1[nH]c2ccccc2c1CC[NH+]1CCCC1 ZINC000000480347 169652338 /nfs/dbraw/zinc/65/23/38/169652338.db2.gz GMFHKFFGIXYKOL-UHFFFAOYSA-N 1 0 260.406 3.528 1 0 CHAFRO C[N@@H+]1CC[C@H]2c3ccccc3C(c3ccccc3)=C2C1 ZINC000005966695 170163952 /nfs/dbraw/zinc/16/39/52/170163952.db2.gz BLHVBCNLGBEOEO-INIZCTEOSA-N 1 0 261.368 3.921 1 0 CHAFRO Clc1ccccc1C[n+]1ccc2ccccc2c1 ZINC000007714880 170298852 /nfs/dbraw/zinc/29/88/52/170298852.db2.gz CMZFDHOXHWEJQT-UHFFFAOYSA-N 1 0 254.740 3.829 1 0 CHAFRO c1ccc2cc(C[C@@H]3C[NH+]4CCC3CC4)ccc2c1 ZINC000040379091 174250476 /nfs/dbraw/zinc/25/04/76/174250476.db2.gz KRUGZMIVPLKZRZ-GOSISDBHSA-N 1 0 251.373 3.724 1 0 CHAFRO COc1ccc(CC[C@H]2CC[C@@H](CC[NH3+])O2)c2ccccc12 ZINC000040864003 174426208 /nfs/dbraw/zinc/42/62/08/174426208.db2.gz ZUIXQIJYPVGBQL-HOTGVXAUSA-N 1 0 299.414 3.677 1 0 CHAFRO CCCC[C@H]1c2cc(O)c(Cl)cc2CC[N@H+]1C ZINC000045284824 175353415 /nfs/dbraw/zinc/35/34/15/175353415.db2.gz HEPGAIWFPSKHHV-ZDUSSCGKSA-N 1 0 253.773 3.765 1 0 CHAFRO C[C@H]([NH2+]C1CCCC1)C(=O)c1cccc(Br)c1 ZINC000045368146 175362913 /nfs/dbraw/zinc/36/29/13/175362913.db2.gz ZZWUEOYQVWAKCJ-JTQLQIEISA-N 1 0 296.208 3.553 1 0 in-vivo CHAFRO C[N@@H+]1C[C@@H]2CCC[C@]2(c2cc(Cl)cc(Cl)c2)C1 ZINC000072108678 176317335 /nfs/dbraw/zinc/31/73/35/176317335.db2.gz KXQVOLBRJCPHMW-HZMBPMFUSA-N 1 0 270.203 3.977 1 0 CHAFRO O[C@H](C[n+]1c(Cl)ccc2ccccc21)c1ccccc1 ZINC000072139460 176322622 /nfs/dbraw/zinc/32/26/22/176322622.db2.gz AJWYMNZPDCMJQP-MRXNPFEDSA-N 1 0 284.766 3.514 1 0 CHAFRO CCOc1cccc(-c2nc(C[NH+]3CCCCC3)co2)c1 ZINC000072180319 176334672 /nfs/dbraw/zinc/33/46/72/176334672.db2.gz GQIOIVXWICKIEK-UHFFFAOYSA-N 1 0 286.375 3.726 1 0 CHAFRO CCOc1cccc(-c2nc(C[N@H+](C)C(C)(C)C)co2)c1 ZINC000072180884 176334784 /nfs/dbraw/zinc/33/47/84/176334784.db2.gz NLCMBTURUFDGFI-UHFFFAOYSA-N 1 0 288.391 3.971 1 0 CHAFRO CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+](C2)[C@H]31 ZINC000003589688 560189009 /nfs/dbraw/zinc/18/90/09/560189009.db2.gz LRLCVRYKAFDXKU-YGOSVGOTSA-N 1 0 280.415 3.928 1 0 in-vitro CHAFRO c1scc2c1CCOC21CC[NH+](Cc2ccccc2)CC1 ZINC000095555799 185008194 /nfs/dbraw/zinc/00/81/94/185008194.db2.gz PLSSOIAPXIDXEA-UHFFFAOYSA-N 1 0 299.439 3.812 1 0 CHAFRO Fc1cc([C@@H](Oc2ccccc2)C2C[NH2+]C2)ccc1Cl ZINC000095556499 185009252 /nfs/dbraw/zinc/00/92/52/185009252.db2.gz YUIKKWHANRFPSX-MRXNPFEDSA-N 1 0 291.753 3.819 1 0 CHAFRO COc1ccc2c(c1)C[N@@H+](C)C[C@@H]2c1cccc(C)c1 ZINC000095562507 185009412 /nfs/dbraw/zinc/00/94/12/185009412.db2.gz KYUYTLMYZDCTDV-GOSISDBHSA-N 1 0 267.372 3.581 1 0 CHAFRO OC1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000095562330 185009475 /nfs/dbraw/zinc/00/94/75/185009475.db2.gz BNCZJZAKVWVCRM-UHFFFAOYSA-N 1 0 295.426 3.665 1 0 CHAFRO Cc1nn(C)c(NC(=O)Nc2ccc(Cl)cc2)c1[N+]#N ZINC000095576023 185011522 /nfs/dbraw/zinc/01/15/22/185011522.db2.gz IBJFUQJPAXLWTL-UHFFFAOYSA-O 1 0 291.722 3.511 1 0 CHAFRO C[NH+](C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 ZINC000096921519 185130684 /nfs/dbraw/zinc/13/06/84/185130684.db2.gz CLQICLOLCAXNFR-IRXDYDNUSA-N 1 0 261.409 3.509 1 0 CHAFRO CCCC[N@@H+]1CCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC000096927501 185130845 /nfs/dbraw/zinc/13/08/45/185130845.db2.gz ZQENSTSMSQWYMI-HNNXBMFYSA-N 1 0 274.408 3.506 1 0 CHAFRO c1cncc(Oc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)c1 ZINC000103239129 185819406 /nfs/dbraw/zinc/81/94/06/185819406.db2.gz DHTRCVPEAVZZEA-UHFFFAOYSA-N 1 0 294.398 3.827 1 0 CHAFRO CN(C)CC[N@@H+]1CCCC[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000022872522 171401699 /nfs/dbraw/zinc/40/16/99/171401699.db2.gz NRIOVZJVNJZGMN-NNGLDNROSA-N 1 0 290.495 3.619 1 0 CHAFRO CCCc1cc2ccccc2nc1SCC[NH+](C)C ZINC000026383873 171481633 /nfs/dbraw/zinc/48/16/33/171481633.db2.gz ZBDMBROZBJQTSA-UHFFFAOYSA-N 1 0 274.433 3.841 1 0 CHAFRO [NH3+][C@@H]1CCCc2ccc(SCc3ccccc3)cc2[C@@H]1O ZINC000026580010 171494167 /nfs/dbraw/zinc/49/41/67/171494167.db2.gz QEICEODSFCDTQU-MSOLQXFVSA-N 1 0 299.439 3.676 1 0 CHAFRO Cc1ccc(-c2cc([C@H]3C[C@H]4CC[C@@H]3[NH2+]4)cnc2F)cc1 ZINC000028527263 171562627 /nfs/dbraw/zinc/56/26/27/171562627.db2.gz VWMGMJYETMFVTI-INMHGKMJSA-N 1 0 282.362 3.804 1 0 CHAFRO CCO[C@]1(c2cccc(OC)c2)CCCC[C@@H]1C[NH+](C)C ZINC000029128518 171587056 /nfs/dbraw/zinc/58/70/56/171587056.db2.gz ZFUPFIUXGORYPF-AEFFLSMTSA-N 1 0 291.435 3.679 1 0 CHAFRO CCCC[n+]1cccc2c1CC[C@@H]1CC[C@@H](OC)C[C@@H]21 ZINC000040662974 174365971 /nfs/dbraw/zinc/36/59/71/174365971.db2.gz QFXNJENXZPEQLR-ZMSDIMECSA-N 1 0 274.428 3.619 1 0 CHAFRO Cc1ccc(C[C@@H]2Cc3ccccc3[C@@H]2[NH3+])c(C)c1 ZINC000045336967 175360801 /nfs/dbraw/zinc/36/08/01/175360801.db2.gz JJXNDADNDFDRKV-SJLPKXTDSA-N 1 0 251.373 3.718 1 0 CHAFRO CCOc1cccc(-c2nc(C[N@H+](C)CC(C)C)co2)c1 ZINC000072184482 176335322 /nfs/dbraw/zinc/33/53/22/176335322.db2.gz WWSMGGPCOZEMNE-UHFFFAOYSA-N 1 0 288.391 3.828 1 0 CHAFRO CCC[NH+](CCC)[C@@H]1Cc2c[nH]c3ccc(C(C)=O)c(c23)C1 ZINC000000005321 560176558 /nfs/dbraw/zinc/17/65/58/560176558.db2.gz CKYZLYQSDNLGPT-OAHLLOKOSA-N 1 0 298.430 3.960 1 0 in-vitro CHAFRO Cc1cc([C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1F ZINC000095563356 185010574 /nfs/dbraw/zinc/01/05/74/185010574.db2.gz OBNBMYWZKYYXNS-INIZCTEOSA-N 1 0 255.336 3.711 1 0 CHAFRO Fc1ccc(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c(F)c1 ZINC000095588585 185013227 /nfs/dbraw/zinc/01/32/27/185013227.db2.gz KXRRNOJECCYJIA-GUYCJALGSA-N 1 0 289.325 3.694 1 0 CHAFRO C[NH+](C)CC[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000169349846 188660621 /nfs/dbraw/zinc/66/06/21/188660621.db2.gz GICAXSWXDGMXAH-HNNXBMFYSA-N 1 0 274.795 3.819 1 0 CHAFRO Cc1cc([NH2+]CCc2ccccc2)[nH]c2cc(=O)ccc1-2 ZINC000004961187 170045609 /nfs/dbraw/zinc/04/56/09/170045609.db2.gz YJWGXBZKPSPMEY-UHFFFAOYSA-N 1 0 278.355 3.903 1 0 CHAFRO O=C(CC[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000005887073 170150289 /nfs/dbraw/zinc/15/02/89/170150289.db2.gz UHONZWXJELFMEX-UHFFFAOYSA-N 1 0 283.415 3.818 1 0 CHAFRO C[n+]1c2c(c(Cl)c3ccccc31)Cc1ccccc1-2 ZINC000013555513 170561877 /nfs/dbraw/zinc/56/18/77/170561877.db2.gz KOTXEKBWGFUXOX-UHFFFAOYSA-N 1 0 266.751 3.889 1 0 CHAFRO c1ccc2cc(C[C@H]3C[NH+]4CCC3CC4)ccc2c1 ZINC000040379092 174249802 /nfs/dbraw/zinc/24/98/02/174249802.db2.gz KRUGZMIVPLKZRZ-SFHVURJKSA-N 1 0 251.373 3.724 1 0 CHAFRO C[NH2+][C@@H]1C[C@H](Oc2ccccc2C)c2ccccc21 ZINC000040379400 174250028 /nfs/dbraw/zinc/25/00/28/174250028.db2.gz WPKZZLMFEYGCJR-WBVHZDCISA-N 1 0 253.345 3.779 1 0 CHAFRO Nc1cc(C=Cc2ccc(O)cc2)[nH+]c2ccccc12 ZINC000045228968 175334425 /nfs/dbraw/zinc/33/44/25/175334425.db2.gz VBHMJFGCDJSWBW-VMPITWQZSA-N 1 0 262.312 3.523 1 0 CHAFRO C[C@@H](C[NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1 ZINC000045245763 175336367 /nfs/dbraw/zinc/33/63/67/175336367.db2.gz SYMAJWVHHBJSJV-JTQLQIEISA-N 1 0 253.773 3.547 1 0 in-vitro CHAFRO C/C=C/C=C/C1=[NH+]CCc2cc(OCCC)ccc21 ZINC000045302822 175355397 /nfs/dbraw/zinc/35/53/97/175355397.db2.gz HLJGKCYWCOYHCC-TWTPFVCWSA-N 1 0 255.361 3.953 1 0 CHAFRO NC(=[NH2+])Nc1cccc(SCc2ccc(Cl)cc2)c1 ZINC000071411193 176156970 /nfs/dbraw/zinc/15/69/70/176156970.db2.gz QWIWWSUUNFSDRB-UHFFFAOYSA-N 1 0 291.807 3.938 1 0 CHAFRO c1ccn2c(c1)[nH+]c(C1CC1)c2NC1CCCCC1 ZINC000072176012 176334225 /nfs/dbraw/zinc/33/42/25/176334225.db2.gz QWVHEKXACWXGCS-UHFFFAOYSA-N 1 0 255.365 3.956 1 0 CHAFRO CC(C)[C@@H](C)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000072182005 176335341 /nfs/dbraw/zinc/33/53/41/176335341.db2.gz CCZLELHNRYURCH-LLVKDONJSA-N 1 0 262.328 3.615 1 0 CHAFRO CCC[NH+]1CCC(c2cn(C)c3ccc(F)cc23)CC1 ZINC000095563685 185010196 /nfs/dbraw/zinc/01/01/96/185010196.db2.gz SJIZZMHCOVMIHM-UHFFFAOYSA-N 1 0 274.383 3.907 1 0 CHAFRO Cc1ccc2c(c1)C[N@H+](C)C[C@@H]2c1ccc(F)c(F)c1 ZINC000095564212 185010594 /nfs/dbraw/zinc/01/05/94/185010594.db2.gz WUPUWAHXLJUMFK-OAHLLOKOSA-N 1 0 273.326 3.851 1 0 CHAFRO C[N@@H+]1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000095580835 185011207 /nfs/dbraw/zinc/01/12/07/185011207.db2.gz NTSBDQLGAZMMFC-NSHDSACASA-N 1 0 256.176 3.969 1 0 CHAFRO CCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000096927502 185130731 /nfs/dbraw/zinc/13/07/31/185130731.db2.gz AACTVZJJNRYGCM-MRXNPFEDSA-N 1 0 274.408 3.506 1 0 CHAFRO CC[C@](C[C@H]1CCC[NH2+]C1)(OC)c1ccc(Cl)cc1 ZINC000169335246 188659406 /nfs/dbraw/zinc/65/94/06/188659406.db2.gz RUJUMHOSPAQFMM-CZUORRHYSA-N 1 0 281.827 3.981 1 0 CHAFRO c1c2ccccn2c2cc3c(n[n+]12)-c1cccc2cccc-3c12 ZINC000000386988 169626588 /nfs/dbraw/zinc/62/65/88/169626588.db2.gz LODQCZNTAYDDDD-UHFFFAOYSA-N 1 0 294.337 3.874 1 0 CHAFRO C[C@@H](C[NH+]1CCC(C)CC1)Oc1ccc(Cl)cc1 ZINC000013519875 170557824 /nfs/dbraw/zinc/55/78/24/170557824.db2.gz KAALNRPIIVDZHJ-ZDUSSCGKSA-N 1 0 267.800 3.839 1 0 CHAFRO CC[NH2+]Cc1ccccc1Sc1ccc(C)cc1N ZINC000013642311 170571802 /nfs/dbraw/zinc/57/18/02/170571802.db2.gz BXZSHOGOEKAIFQ-UHFFFAOYSA-N 1 0 272.417 3.838 1 0 CHAFRO C[NH+](C)CCOc1cc(-c2ccccc2)c2ccccc2n1 ZINC000028772272 171574767 /nfs/dbraw/zinc/57/47/67/171574767.db2.gz KZQISXWXUJWVFG-UHFFFAOYSA-N 1 0 292.382 3.842 1 0 CHAFRO CC(C)C[C@H]1C[NH+]=C(Nc2ccccc2)N1CC(C)C ZINC000036386660 172628865 /nfs/dbraw/zinc/62/88/65/172628865.db2.gz WUOOJIKGUCQQSN-INIZCTEOSA-N 1 0 273.424 3.841 3 0 CHAFRO [NH3+][C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc21 ZINC000040421773 174257676 /nfs/dbraw/zinc/25/76/76/174257676.db2.gz XVISEQWOYJEMBG-CABCVRRESA-N 1 0 259.736 3.864 1 0 CHAFRO COc1cc2cc(C)[n+]([C@@H]3C=CC=CC3)c(C)c2c(OC)c1 ZINC000040584953 174345523 /nfs/dbraw/zinc/34/55/23/174345523.db2.gz RRSSZEDCMBGNEP-MRXNPFEDSA-N 1 0 296.390 3.819 1 0 CHAFRO CCC(C)(C)[NH2+][C@H](C)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000045192859 175326681 /nfs/dbraw/zinc/32/66/81/175326681.db2.gz SZXMVRRDNBTGDP-MFKMUULPSA-N 1 0 289.341 3.906 1 0 CHAFRO Nc1ccc(-c2csc(Nc3cc[nH+]cc3)n2)cc1 ZINC000045323581 175359593 /nfs/dbraw/zinc/35/95/93/175359593.db2.gz UHWUVLRZIXSLJV-UHFFFAOYSA-N 1 0 268.345 3.531 1 0 CHAFRO C[NH+](C)CCC1c2ccccc2Cc2ccccc21 ZINC000045348888 175361605 /nfs/dbraw/zinc/36/16/05/175361605.db2.gz LGIIUKGHECNJNZ-UHFFFAOYSA-N 1 0 251.373 3.674 1 0 CHAFRO Cc1nc[nH]c1[C@@H]1C[C@H]1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000045355902 175362083 /nfs/dbraw/zinc/36/20/83/175362083.db2.gz NOSCCMUAADBXHH-UKRRQHHQSA-N 1 0 289.810 3.655 1 0 CHAFRO Clc1ccccc1Oc1ncccc1C1CC[NH2+]CC1 ZINC000045393436 175376420 /nfs/dbraw/zinc/37/64/20/175376420.db2.gz OLCRHPXGKWMFIP-UHFFFAOYSA-N 1 0 288.778 3.994 1 0 in-vivo CHAFRO C[N@@H+]1CCc2cccc3[nH]cc(c32)Cc2ccccc2CC1 ZINC000049112904 524002881 /nfs/dbraw/zinc/00/28/81/524002881.db2.gz MSXGPWPTXORIBR-UHFFFAOYSA-N 1 0 290.410 3.789 1 0 CHAFRO Cc1cc(Cl)ccc1OC[C@@H]([NH3+])Cc1ccccc1 ZINC000045495313 524906624 /nfs/dbraw/zinc/90/66/24/524906624.db2.gz MZWIMEKAEZCVEK-HNNXBMFYSA-N 1 0 275.779 3.597 1 0 CHAFRO C[C@@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]Cc1ccc(F)cc1)C2(C)C ZINC000066077777 525716073 /nfs/dbraw/zinc/71/60/73/525716073.db2.gz RPKOHAAIFOEUMM-WXYCVUISSA-N 1 0 261.384 3.986 1 0 CHAFRO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C/C=C\c1ccccc1 ZINC000011678329 560211459 /nfs/dbraw/zinc/21/14/59/560211459.db2.gz YMJMZFPZRVMNCH-YKMODHABSA-N 1 0 281.399 3.754 1 0 in-vitro CHAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCN(c3ccccc3)CC1)=CC2 ZINC000001226575 567836463 /nfs/dbraw/zinc/83/64/63/567836463.db2.gz IBBLDXNBVZYDIY-HKUYNNGSSA-N 1 0 296.458 3.801 1 0 CHAFRO C[C@@H]1C[C@@](O)(/C=C/c2cccc3ccccc23)[C@@H](C)C[N@@H+]1C ZINC000169296693 188656104 /nfs/dbraw/zinc/65/61/04/188656104.db2.gz SFCXMYLLNIDIPQ-TXASFCSBSA-N 1 0 295.426 3.944 1 0 CHAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ccno2)[N@@H+]3C)cc1 ZINC000013532694 170558999 /nfs/dbraw/zinc/55/89/99/170558999.db2.gz LLTFLCBWDZIXGL-LHHMISFZSA-N 1 0 282.387 3.717 1 0 CHAFRO CCCCCCOc1ccc2[nH]c3c(c2c1)C[C@@H]([NH3+])CC3 ZINC000013745615 170586971 /nfs/dbraw/zinc/58/69/71/170586971.db2.gz QABJFBAIKQCXHI-ZDUSSCGKSA-N 1 0 286.419 3.943 1 0 CHAFRO C=Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C(=O)CC)cc1 ZINC000013756677 170588836 /nfs/dbraw/zinc/58/88/36/170588836.db2.gz VFCJGOUGTYVWPT-LHHMISFZSA-N 1 0 269.388 3.533 1 0 CHAFRO CCC[NH+](CCC)C[C@@H]1C[C@@H]1c1ccccc1OC ZINC000027421823 171516652 /nfs/dbraw/zinc/51/66/52/171516652.db2.gz WHVTYDOFJSSONC-HOCLYGCPSA-N 1 0 261.409 3.921 1 0 CHAFRO COc1ccc([C@H](C[NH3+])c2ccccc2)c2ccccc12 ZINC000028654193 171569834 /nfs/dbraw/zinc/56/98/34/171569834.db2.gz LZEIFCGLPPVSMC-GOSISDBHSA-N 1 0 277.367 3.939 1 0 CHAFRO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2COc2ccccc2)cc1 ZINC000029040445 171583939 /nfs/dbraw/zinc/58/39/39/171583939.db2.gz CEPKXROBFYVBAH-YJBOKZPZSA-N 1 0 285.362 3.598 1 0 CHAFRO COc1ccc2ccccc2c1CC[C@H]1CC[C@@H](CC[NH3+])O1 ZINC000040393514 174252162 /nfs/dbraw/zinc/25/21/62/174252162.db2.gz DSDLGRNFGNGRFT-CVEARBPZSA-N 1 0 299.414 3.677 1 0 CHAFRO C[NH2+][C@H]1Cc2ccccc2[C@H](Oc2ccccc2C)C1 ZINC000040423070 174258468 /nfs/dbraw/zinc/25/84/68/174258468.db2.gz FDBFTQAPQQWDDD-MAUKXSAKSA-N 1 0 267.372 3.649 1 0 CHAFRO c1ccc(C[NH+]2CCC3(CC2)OCc2ccccc2O3)cc1 ZINC000045285450 175353679 /nfs/dbraw/zinc/35/36/79/175353679.db2.gz YYUPFHGOZHWFOC-UHFFFAOYSA-N 1 0 295.382 3.588 1 0 CHAFRO CCCC[C@@H]1[NH2+]CCc2cc(Cl)c(OC)cc21 ZINC000045285912 175353701 /nfs/dbraw/zinc/35/37/01/175353701.db2.gz XYKYEUZINFOQBW-ZDUSSCGKSA-N 1 0 253.773 3.726 1 0 CHAFRO c1ccc(OCc2ccccc2C2CC[NH2+]CC2)cc1 ZINC000045283557 175353736 /nfs/dbraw/zinc/35/37/36/175353736.db2.gz SYLMRMITUMFBTA-UHFFFAOYSA-N 1 0 267.372 3.733 1 0 in-vivo CHAFRO CC(C)C[C@]1(c2cccc(O)c2)CC[N@H+](CC2CC2)C1 ZINC000072114923 176318324 /nfs/dbraw/zinc/31/83/24/176318324.db2.gz CEUGEKRVTDITKN-GOSISDBHSA-N 1 0 273.420 3.792 1 0 CHAFRO CC(C)([NH3+])c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000072118947 176319657 /nfs/dbraw/zinc/31/96/57/176319657.db2.gz JIOCZDFWISBMHU-UHFFFAOYSA-N 1 0 299.805 3.932 1 0 CHAFRO c1c(-c2ccccc2)c2c(n1Cc1ccccc1)CC[NH2+]C2 ZINC000066251822 526396125 /nfs/dbraw/zinc/39/61/25/526396125.db2.gz QIJGWWIAMMEZTK-UHFFFAOYSA-N 1 0 288.394 3.849 1 0 CHAFRO Cn1cc[n+](C)c1/C=C/c1ccc(-c2cccs2)s1 ZINC000049583031 527332788 /nfs/dbraw/zinc/33/27/88/527332788.db2.gz AVHXWJKOSMANKJ-SOFGYWHQSA-N 1 0 287.433 3.810 1 0 CHAFRO c1cc(OCC[NH+]2CCCC2)sc1Cc1ccccc1 ZINC000013805485 581092086 /nfs/dbraw/zinc/09/20/86/581092086.db2.gz FKBIPEOJXNARMX-UHFFFAOYSA-N 1 0 287.428 3.814 1 0 CHAFRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)C1CC[NH2+]CC1 ZINC000082317892 177962294 /nfs/dbraw/zinc/96/22/94/177962294.db2.gz MMSRPOXCRWWGBU-ABAIWWIYSA-N 1 0 267.800 3.663 1 0 CHAFRO Clc1ccc([C@@H](Oc2ccccc2)C2C[NH2+]C2)cc1 ZINC000095556604 185009406 /nfs/dbraw/zinc/00/94/06/185009406.db2.gz NCKCPBMYSKVDRC-MRXNPFEDSA-N 1 0 273.763 3.680 1 0 CHAFRO CC(C)[NH2+][C@H]1C[C@@H]2CCCC[C@H]2C[C@@]1(O)c1ccccc1 ZINC000169332796 188659059 /nfs/dbraw/zinc/65/90/59/188659059.db2.gz LIAYKOWSPMCNGJ-PBWTXFEYSA-N 1 0 287.447 3.841 1 0 CHAFRO C[C@H]1[C@H]2Cc3ccccc3[C@]1(C)CC[N@@H+]2CC1CC1 ZINC000005752356 170136964 /nfs/dbraw/zinc/13/69/64/170136964.db2.gz SVKVWRTVTPUQBY-MORSLUCNSA-N 1 0 255.405 3.621 1 0 in-man CHAFRO Clc1ccc2c(c1)C[C@H]1C[N+]3=C(CCCC3)C1=C2 ZINC000006010131 170168648 /nfs/dbraw/zinc/16/86/48/170168648.db2.gz YQCUFSBVMZZLBC-ZDUSSCGKSA-N 1 0 258.772 3.547 1 0 CHAFRO CC1=[NH+][C@H](c2ccccc2)c2ccccc2CN1C ZINC000013600191 170567574 /nfs/dbraw/zinc/56/75/74/170567574.db2.gz YGUJOCJQMZPTLX-QGZVFWFLSA-N 1 0 250.345 3.640 1 0 CHAFRO C[NH2+][C@@H](Cc1ccc(Cl)cc1N)c1sccc1C ZINC000013738505 170584959 /nfs/dbraw/zinc/58/49/59/170584959.db2.gz UYJIYQXXVBBVSZ-ZDUSSCGKSA-N 1 0 280.824 3.795 1 0 CHAFRO CCC[NH+](CCC)[C@@H]1CCc2c(C)ccc(O)c2C1 ZINC000026165344 171474204 /nfs/dbraw/zinc/47/42/04/171474204.db2.gz BNMXVEWINKAJLK-CQSZACIVSA-N 1 0 261.409 3.680 1 0 CHAFRO CCCC[n+]1cccc2c1CC[C@H]1CC[C@@H](OC)C[C@H]21 ZINC000026271381 171477800 /nfs/dbraw/zinc/47/78/00/171477800.db2.gz QFXNJENXZPEQLR-INMHGKMJSA-N 1 0 274.428 3.619 1 0 CHAFRO [NH2+]=C(Nc1ccccc1)N1Cc2cccc3c2[C@@H](CCC3)C1 ZINC000027765698 171532464 /nfs/dbraw/zinc/53/24/64/171532464.db2.gz KLBSDCGFJQARDC-INIZCTEOSA-N 1 0 291.398 3.969 1 0 CHAFRO C[NH+](C)C/C=C(/c1ccc(Cl)cc1)c1cccnc1 ZINC000029315194 171593319 /nfs/dbraw/zinc/59/33/19/171593319.db2.gz QXQBWLODWRRSQJ-SXGWCWSVSA-N 1 0 272.779 3.728 1 0 CHAFRO COc1ccc2ccccc2c1CC[C@@H]1CC[C@H](CC[NH3+])O1 ZINC000040393511 174252318 /nfs/dbraw/zinc/25/23/18/174252318.db2.gz DSDLGRNFGNGRFT-JKSUJKDBSA-N 1 0 299.414 3.677 1 0 CHAFRO CCC12C[C@H]3C[C@@H](C1)CC([NH2+]Cc1ccccc1)(C3)O2 ZINC000040424576 174258471 /nfs/dbraw/zinc/25/84/71/174258471.db2.gz XTEMYVVPKUVWFE-OQSMONGASA-N 1 0 271.404 3.862 1 0 CHAFRO C[NH2+]C[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(C)c1C ZINC000040428736 174258744 /nfs/dbraw/zinc/25/87/44/174258744.db2.gz JMYADEOPJFRDDM-OALUTQOASA-N 1 0 297.398 3.542 1 0 CHAFRO Cc1ccc(Sc2cc(F)ccc2C[NH+](C)C)c(N)c1 ZINC000045351314 175361563 /nfs/dbraw/zinc/36/15/63/175361563.db2.gz GKNLPWOESJYQTF-UHFFFAOYSA-N 1 0 290.407 3.929 1 0 CHAFRO Fc1ccc(Oc2ncccc2C2CC[NH2+]CC2)c(F)c1 ZINC000045366248 175362547 /nfs/dbraw/zinc/36/25/47/175362547.db2.gz GKIYCLAZFANGKD-UHFFFAOYSA-N 1 0 290.313 3.619 1 0 CHAFRO Cc1c(C)c(C)c(C[N+]2=CN3CCCC[C@H]3C2)c(C)c1C ZINC000072120530 176319485 /nfs/dbraw/zinc/31/94/85/176319485.db2.gz QHDGXTUZPPTAIZ-SFHVURJKSA-N 1 0 285.455 3.638 1 0 CHAFRO Fc1ccccc1Oc1ccccc1OC1CC[NH2+]CC1 ZINC000066112441 526417034 /nfs/dbraw/zinc/41/70/34/526417034.db2.gz YZDRSNBYBMAHDD-UHFFFAOYSA-N 1 0 287.334 3.749 1 0 CHAFRO Cc1ccc2c(c1)C[N@H+](C)C[C@@H]2c1cc(F)cc(F)c1 ZINC000095558512 185009579 /nfs/dbraw/zinc/00/95/79/185009579.db2.gz TWJQHLGFNXDIDH-QGZVFWFLSA-N 1 0 273.326 3.851 1 0 CHAFRO Cc1[nH]c2ccc(OC(C)C)cc2c1C1=CC[NH2+]CC1 ZINC000096910230 185129020 /nfs/dbraw/zinc/12/90/20/185129020.db2.gz MNIJCHAEANHHHG-UHFFFAOYSA-N 1 0 270.376 3.640 1 0 CHAFRO C[N@@H+]1CC[C@]2(c3cccc(O)c3)C[C@H]3CCCC[C@@H]3[C@H]1C2 ZINC000096910734 185129126 /nfs/dbraw/zinc/12/91/26/185129126.db2.gz OPGIPCVAIWMRGJ-FDPIWHGQSA-N 1 0 285.431 3.934 1 0 CHAFRO COC[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914815 185129250 /nfs/dbraw/zinc/12/92/50/185129250.db2.gz GDFYRFGZPIJLGQ-GFCCVEGCSA-N 1 0 288.218 3.723 1 0 CHAFRO C[C@@H](O)CCCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H](C)[NH2+]1 ZINC000014921127 290872780 /nfs/dbraw/zinc/87/27/80/290872780.db2.gz LWYXLXAMDLNBFQ-BRSBDYLESA-N 1 0 299.499 3.770 1 0 biogenic,in-vitro CHAFRO COc1ccc(Cl)c2c1CCC(C[NH2+]CC1CC1)=C2 ZINC000169324692 188658734 /nfs/dbraw/zinc/65/87/34/188658734.db2.gz NHJQLGDQQIIXKM-UHFFFAOYSA-N 1 0 277.795 3.678 1 0 CHAFRO C=Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@@H]2C(=O)CC)cc1 ZINC000169329705 188658970 /nfs/dbraw/zinc/65/89/70/188658970.db2.gz VFCJGOUGTYVWPT-LISAXSMJSA-N 1 0 269.388 3.533 1 0 CHAFRO C[NH2+]CCC[C@@H]1Cc2ccccc2N(c2ccccc2)C1=O ZINC000006716515 134486050 /nfs/dbraw/zinc/48/60/50/134486050.db2.gz KIDMMWCQWSLXGQ-MRXNPFEDSA-N 1 0 294.398 3.523 1 0 CHAFRO O[C@@]1(c2cccc(C(F)(F)F)c2)CC[N@@H+]2CCCC[C@@H]2C1 ZINC000006092338 170174984 /nfs/dbraw/zinc/17/49/84/170174984.db2.gz OABKVAHOXRFSNU-CABCVRRESA-N 1 0 299.336 3.541 1 0 CHAFRO Cc1ccsc1[C@@H](Cc1ccccc1N(C)C)[NH+](C)C ZINC000013738496 170584614 /nfs/dbraw/zinc/58/46/14/170584614.db2.gz JHWYBQOJPBQFAX-MRXNPFEDSA-N 1 0 288.460 3.968 1 0 CHAFRO C[NH+](C)CC[C@@H]1CCc2cccc3c4c(n1c32)CCC4 ZINC000028096054 171547307 /nfs/dbraw/zinc/54/73/07/171547307.db2.gz UWXHOHNPDHWWAK-AWEZNQCLSA-N 1 0 268.404 3.569 1 0 CHAFRO C(=C\C1=CC=CN2C1=[NH+][C@@H]1CCC[C@@H]12)\c1ccccc1 ZINC000029409889 171597856 /nfs/dbraw/zinc/59/78/56/171597856.db2.gz ZMFQMXBAIPKWDJ-MMCLNADLSA-N 1 0 262.356 3.789 1 0 CHAFRO COc1ccc([C@H](CC(C)C)[C@H]2CCCC[NH2+]2)cc1 ZINC000035090510 171973082 /nfs/dbraw/zinc/97/30/82/171973082.db2.gz HWQHDSKQNMHWMT-DLBZAZTESA-N 1 0 261.409 3.967 1 0 in-vitro CHAFRO Cc1ccc([C@H]2C[N@@H+](C)Cc3cc(C)ccc32)cc1 ZINC000038392915 174140826 /nfs/dbraw/zinc/14/08/26/174140826.db2.gz LJEZBJASWTZZEM-GOSISDBHSA-N 1 0 251.373 3.881 1 0 CHAFRO CC[C@@H](Cc1cccs1)NC1=[NH+]CCCCC1 ZINC000039200593 174165578 /nfs/dbraw/zinc/16/55/78/174165578.db2.gz LSCWQMQWMANLNN-LBPRGKRZSA-N 1 0 250.411 3.631 1 0 CHAFRO Fc1cc2c3c([nH]c2c(F)c1)CC[C@@H]([NH+]1CCCCC1)C3 ZINC000039214046 174166093 /nfs/dbraw/zinc/16/60/93/174166093.db2.gz BFNKSCNYWIAFMF-GFCCVEGCSA-N 1 0 290.357 3.789 1 0 CHAFRO c1[nH]c2ccccc2c1[C@@]1(Cc2ccccc2)CC[NH2+]C1 ZINC000040393410 174252337 /nfs/dbraw/zinc/25/23/37/174252337.db2.gz DUCJOVLKXCHFKO-LJQANCHMSA-N 1 0 276.383 3.642 1 0 CHAFRO C[C@@H]1Cc2ccc3c(c2O1)-c1cccc2c1[C@@H](C3)[N@H+](C)CC2 ZINC000045367060 175363014 /nfs/dbraw/zinc/36/30/14/175363014.db2.gz MSFBLSXHRFJARJ-SJKOYZFVSA-N 1 0 291.394 3.762 1 0 CHAFRO CC(C)(C)[N@H+](CCC(=O)c1cccnc1)Cc1ccccc1 ZINC000045373762 175365971 /nfs/dbraw/zinc/36/59/71/175365971.db2.gz GRBTUULUACRBQX-UHFFFAOYSA-N 1 0 296.414 3.955 1 0 CHAFRO O[C@@H](C[n+]1c(Cl)ccc2ccccc21)c1ccccc1 ZINC000072139461 176322694 /nfs/dbraw/zinc/32/26/94/176322694.db2.gz AJWYMNZPDCMJQP-INIZCTEOSA-N 1 0 284.766 3.514 1 0 CHAFRO CC(C)[C@H](C)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000072182006 176335182 /nfs/dbraw/zinc/33/51/82/176335182.db2.gz CCZLELHNRYURCH-NSHDSACASA-N 1 0 262.328 3.615 1 0 CHAFRO C[N@H+]1Cc2sc(N)cc2[C@@H](c2ccc(Cl)cc2)C1 ZINC000052541802 524029094 /nfs/dbraw/zinc/02/90/94/524029094.db2.gz XBQLTAVVMUKUQK-GFCCVEGCSA-N 1 0 278.808 3.561 1 0 CHAFRO c1ccc(CNc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013805378 581092028 /nfs/dbraw/zinc/09/20/28/581092028.db2.gz JQXVXZGWSSYBLB-UHFFFAOYSA-N 1 0 296.414 3.773 1 0 CHAFRO CC(=O)c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095584745 185012904 /nfs/dbraw/zinc/01/29/04/185012904.db2.gz TUDCRFHMRNXJFG-UHFFFAOYSA-N 1 0 283.415 3.948 1 0 CHAFRO c1ccc(COCC2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000000018461 169506848 /nfs/dbraw/zinc/50/68/48/169506848.db2.gz NOQQPVOPNXNAQZ-UHFFFAOYSA-N 1 0 281.399 3.525 1 0 CHAFRO CCCCCn1c2ccccc2[n+](Cc2ccccc2)c1N ZINC000013560568 170562878 /nfs/dbraw/zinc/56/28/78/170562878.db2.gz BZTNLNRFRRLRQZ-UHFFFAOYSA-O 1 0 294.422 3.750 1 0 CHAFRO COc1ccc(CC[NH2+]C[C@@H]2CCc3ccccc3C2)cc1 ZINC000013761791 170589798 /nfs/dbraw/zinc/58/97/98/170589798.db2.gz NJWKVUCAVMYELV-QGZVFWFLSA-N 1 0 295.426 3.632 1 0 in-vivo CHAFRO Cc1ccc(C2(c3ccccc3C)CC[NH2+]CC2)cc1 ZINC000013802248 170595349 /nfs/dbraw/zinc/59/53/49/170595349.db2.gz VFDCUOPCVVRXGQ-UHFFFAOYSA-N 1 0 265.400 3.973 1 0 CHAFRO CCC[N@H+](C)[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1 ZINC000027419190 171516599 /nfs/dbraw/zinc/51/65/99/171516599.db2.gz NVTZFGIFPDGDLF-RTBURBONSA-N 1 0 281.399 3.791 1 0 CHAFRO COc1ccc([C@H]2C3CCC(CC3)[C@@H]2C[NH+](C)C)cc1 ZINC000028000511 171543524 /nfs/dbraw/zinc/54/35/24/171543524.db2.gz LSNHNHXRKOSNAG-JOCCRWCTSA-N 1 0 273.420 3.777 1 0 CHAFRO Clc1ccc(CN2CC[NH+]=C2c2ccccc2)cc1 ZINC000033824877 171821604 /nfs/dbraw/zinc/82/16/04/171821604.db2.gz COGQMVFTYVICRE-UHFFFAOYSA-N 1 0 270.763 3.602 1 0 CHAFRO CC[C@H](Cc1cccs1)NC1=[NH+]CCCCC1 ZINC000039200595 174165477 /nfs/dbraw/zinc/16/54/77/174165477.db2.gz LSCWQMQWMANLNN-GFCCVEGCSA-N 1 0 250.411 3.631 1 0 CHAFRO C[N@@H+]1CCCC[C@@H]1C[C@@H]1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000040488571 174290413 /nfs/dbraw/zinc/29/04/13/174290413.db2.gz NOWNNISXKFTZKN-XJIUQZFPSA-N 1 0 263.425 3.502 1 0 CHAFRO c1ccc([C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000040972511 174443480 /nfs/dbraw/zinc/44/34/80/174443480.db2.gz WCWLMTUPFMIZFY-KRWDZBQOSA-N 1 0 279.383 3.723 1 0 CHAFRO Cc1ccc([C@@H](O)C[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC000072105273 176316256 /nfs/dbraw/zinc/31/62/56/176316256.db2.gz MMJRHSLJFLGUJR-MSOLQXFVSA-N 1 0 267.372 3.605 1 0 CHAFRO