smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000006629875 1088450424 /nfs/dbraw/zinc/45/04/24/1088450424.db2.gz FATJRBLNCUBTLG-UHFFFAOYSA-N 1 0 369.534 4.272 40 0 FIABRO CC(C)CCOC(C(=O)OCC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001608970 204013349 /nfs/dbraw/zinc/01/33/49/204013349.db2.gz BCYBTICYDFTMET-UHFFFAOYSA-N 1 0 369.505 4.098 40 0 FIABRO COc1cc(C(=O)Nc2ccccc2CC[C@@H]2CCCC[N@@H+]2C)ccc1O ZINC000003802769 204110505 /nfs/dbraw/zinc/11/05/05/204110505.db2.gz LBYXPDAENJSHDD-SFHVURJKSA-N 1 0 368.477 4.070 40 0 in-man FIABRO CC[C@H](OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000004264069 204129402 /nfs/dbraw/zinc/12/94/02/204129402.db2.gz GUYVJQTTYAHQEU-ZEQRLZLVSA-N 1 0 367.533 4.470 40 0 FIABRO COc1ccc(C(=O)OCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000005187368 204196174 /nfs/dbraw/zinc/19/61/74/204196174.db2.gz MJEUFNXDZGUHPY-QGZVFWFLSA-N 1 0 353.462 4.427 40 0 FIABRO Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)c1 ZINC000035289782 204223807 /nfs/dbraw/zinc/22/38/07/204223807.db2.gz NUVVCMHVENXTJO-FRIKZZABSA-N 1 0 366.480 4.450 40 0 FIABRO CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000006883133 204280056 /nfs/dbraw/zinc/28/00/56/204280056.db2.gz LDTKKQUCRNOPLE-UHFFFAOYSA-N 1 0 354.277 4.433 40 0 FIABRO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1c(Cl)cccc1Cl ZINC000008497959 204332094 /nfs/dbraw/zinc/33/20/94/204332094.db2.gz KEGOPWOVZWKHDK-LBPRGKRZSA-N 1 0 370.276 4.051 40 0 FIABRO Cc1c(CN(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cnn1C ZINC000012186553 204438874 /nfs/dbraw/zinc/43/88/74/204438874.db2.gz IBIUORBUAHMJSF-UHFFFAOYSA-N 1 0 372.532 4.179 40 0 FIABRO COc1ccccc1C[NH+]1CCC(c2nnc(-c3sccc3C)o2)CC1 ZINC000019238732 204673428 /nfs/dbraw/zinc/67/34/28/204673428.db2.gz BEJRDBXPPPFQIR-UHFFFAOYSA-N 1 0 369.490 4.495 40 0 FIABRO O=C(/C=C/c1ccccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462085 204929349 /nfs/dbraw/zinc/92/93/49/204929349.db2.gz GRQBHBWCHXZIRU-ZHACJKMWSA-N 1 0 354.881 4.265 40 0 FIABRO CC(C)c1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556346 204910738 /nfs/dbraw/zinc/91/07/38/204910738.db2.gz ZMJDLFOGKXJHNW-UHFFFAOYSA-N 1 0 366.505 4.101 40 0 FIABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000038754731 205041858 /nfs/dbraw/zinc/04/18/58/205041858.db2.gz IDHWMBRIRKGTKR-QFIPXVFZSA-N 1 0 368.521 4.235 40 0 FIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)CC2=Cc3ccccc3OC2)o1 ZINC000036740263 205021526 /nfs/dbraw/zinc/02/15/26/205021526.db2.gz HAZZBXRJZBLHCY-UHFFFAOYSA-N 1 0 363.461 4.153 40 0 FIABRO CC1=C[C@@H](C[NH2+]CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 ZINC000072320819 205030952 /nfs/dbraw/zinc/03/09/52/205030952.db2.gz OBRRPLHBPQTNQW-FHWLQOOXSA-N 1 0 352.526 4.355 40 0 biogenic,in-vitro FIABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000038834979 205042756 /nfs/dbraw/zinc/04/27/56/205042756.db2.gz CMYJPEUFTSDQTA-UHFFFAOYSA-N 1 0 368.477 4.332 40 0 FIABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000038832819 205042960 /nfs/dbraw/zinc/04/29/60/205042960.db2.gz DUJMFFOAICBBPW-QFBILLFUSA-N 1 0 356.897 4.429 40 0 FIABRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038835064 205043169 /nfs/dbraw/zinc/04/31/69/205043169.db2.gz PSEFTLFRWPSOHD-MRXNPFEDSA-N 1 0 358.869 4.199 40 0 FIABRO COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000038848953 205043394 /nfs/dbraw/zinc/04/33/94/205043394.db2.gz PAICLZZGJDLVFX-UHFFFAOYSA-N 1 0 366.505 4.044 40 0 FIABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c(OC)c1 ZINC000038834672 205042469 /nfs/dbraw/zinc/04/24/69/205042469.db2.gz UOJRJDXURYQNGC-UHFFFAOYSA-N 1 0 368.477 4.332 40 0 FIABRO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872878 205113497 /nfs/dbraw/zinc/11/34/97/205113497.db2.gz KIYSJUDWXDEWFR-OAQYLSRUSA-N 1 0 366.505 4.065 40 0 FIABRO C[C@H]1C[C@@H]1C(=O)NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1 ZINC000045209791 205118028 /nfs/dbraw/zinc/11/80/28/205118028.db2.gz XVAUQMOGZLUEQB-RXVVDRJESA-N 1 0 354.538 4.125 40 0 FIABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cc(F)cc(F)c1 ZINC000043277813 205103219 /nfs/dbraw/zinc/10/32/19/205103219.db2.gz ZXXLFQBWVIHHDC-UHFFFAOYSA-N 1 0 371.431 4.262 40 0 FIABRO Cc1ccc(C)c(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000046103171 205133777 /nfs/dbraw/zinc/13/37/77/205133777.db2.gz HUATZHDEXRQUOC-UHFFFAOYSA-N 1 0 353.535 4.038 40 0 FIABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072350076 205516019 /nfs/dbraw/zinc/51/60/19/205516019.db2.gz PIZRGAROLMUFNT-QGZVFWFLSA-N 1 0 352.478 4.116 40 0 FIABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccc(O)cc2)CC(C)(C)[NH2+]1 ZINC000013992673 206307003 /nfs/dbraw/zinc/30/70/03/206307003.db2.gz RMAZCBGYCOUPJJ-UHFFFAOYSA-N 1 0 353.510 4.099 40 0 FIABRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019720100 206326122 /nfs/dbraw/zinc/32/61/22/206326122.db2.gz SISAAQVJJIYWIY-QTGUNEKASA-N 1 0 360.501 4.163 40 0 FIABRO Cc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000328960947 132371762 /nfs/dbraw/zinc/37/17/62/132371762.db2.gz AZQQSBIJGNOVMA-MRXNPFEDSA-N 1 0 374.488 4.013 40 0 FIABRO CC(C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328995063 132372298 /nfs/dbraw/zinc/37/22/98/132372298.db2.gz JFRPKBMUWLELQK-HNNXBMFYSA-N 1 0 354.498 4.036 40 0 FIABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](O)c3ccccc3)o2)cc1 ZINC000022108677 263385091 /nfs/dbraw/zinc/38/50/91/263385091.db2.gz VYSXKPWWGYKNEV-PONJGIIJSA-N 1 0 351.446 4.212 40 0 FIABRO CC[NH+](CC)CCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022076622 263385339 /nfs/dbraw/zinc/38/53/39/263385339.db2.gz WXQYEAALLIYBDO-UHFFFAOYSA-N 1 0 351.288 4.141 40 0 FIABRO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039749601 263399380 /nfs/dbraw/zinc/39/93/80/263399380.db2.gz FDHHUJPCKQZNBT-UHFFFAOYSA-N 1 0 368.496 4.095 40 0 FIABRO CC[NH+](CC)Cc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 ZINC000020457287 520753454 /nfs/dbraw/zinc/75/34/54/520753454.db2.gz LTGWUEHJUJJTFX-UHFFFAOYSA-N 1 0 358.507 4.268 40 0 FIABRO CC[N@H+](C)CCc1cc(OC)c(OC)cc1/C=C\c1ccc(OC)cc1 ZINC000033334520 560089050 /nfs/dbraw/zinc/08/90/50/560089050.db2.gz FZXDJODZRCGYAS-YFHOEESVSA-N 1 0 355.478 4.377 40 0 biogenic,in-vitro FIABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096052606 570474265 /nfs/dbraw/zinc/47/42/65/570474265.db2.gz UANIAIKDOACKBB-SFHVURJKSA-N 1 0 366.505 4.215 40 0 FIABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096052609 570474396 /nfs/dbraw/zinc/47/43/96/570474396.db2.gz PKPAYLMAMOYRTK-LJQANCHMSA-N 1 0 366.505 4.215 40 0 FIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053495 570474622 /nfs/dbraw/zinc/47/46/22/570474622.db2.gz RZAYFLGPQARTCC-IBGZPJMESA-N 1 0 370.537 4.056 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)s1 ZINC000096061334 570474981 /nfs/dbraw/zinc/47/49/81/570474981.db2.gz VIVRIEMPWHCNKR-LJQANCHMSA-N 1 0 354.519 4.037 40 0 FIABRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](Cc1cccs1)CC2 ZINC000096100261 570475557 /nfs/dbraw/zinc/47/55/57/570475557.db2.gz NJZACTVQUDBXFM-FQEVSTJZSA-N 1 0 366.530 4.324 40 0 FIABRO O=C(CCc1ccccc1)N1CCC[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096214660 570479651 /nfs/dbraw/zinc/47/96/51/570479651.db2.gz SOZLYFKSVLWZOH-DEOSSOPVSA-N 1 0 362.517 4.276 40 0 FIABRO CCCC(=O)N[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096242828 570480075 /nfs/dbraw/zinc/48/00/75/570480075.db2.gz JHRUVSXLCGSVSI-IBGZPJMESA-N 1 0 368.477 4.054 40 0 FIABRO Cc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289709 570495449 /nfs/dbraw/zinc/49/54/49/570495449.db2.gz MIDUDAMNJWBZQC-PWRODBHTSA-N 1 0 359.897 4.142 40 0 FIABRO [NH2+]=C(NC(=O)c1ccccc1)N(CCc1ccccc1)CCc1ccccc1 ZINC000001710587 570505145 /nfs/dbraw/zinc/50/51/45/570505145.db2.gz XPBHZNJHFXOPAF-UHFFFAOYSA-N 1 0 371.484 4.139 40 0 FIABRO CC(C)(C)OC(=O)NCC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000098213608 570538710 /nfs/dbraw/zinc/53/87/10/570538710.db2.gz VVQRKCDIXBPOMS-UHFFFAOYSA-N 1 0 372.431 4.142 40 0 FIABRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933435 570539167 /nfs/dbraw/zinc/53/91/67/570539167.db2.gz ILTYFJLVWKILFS-PXNSSMCTSA-N 1 0 354.469 4.224 40 0 FIABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072354574 570546055 /nfs/dbraw/zinc/54/60/55/570546055.db2.gz UMYSHBDMYOPEKU-IBGZPJMESA-N 1 0 366.415 4.341 40 0 FIABRO Cc1ccccc1CN(Cc1cncn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116740 570719587 /nfs/dbraw/zinc/71/95/87/570719587.db2.gz BRGLBXCAMSDRTN-UHFFFAOYSA-N 1 0 354.542 4.040 40 0 FIABRO O[C@]1(c2ccc(F)cc2)CCC[N@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012143579 570721611 /nfs/dbraw/zinc/72/16/11/570721611.db2.gz QOSQEVMEQRHQLW-HXUWFJFHSA-N 1 0 371.481 4.151 40 0 FIABRO c1cn(CCC[NH2+]Cc2cc(-c3ccccc3)cnc2-c2ccncc2)cn1 ZINC000012221880 570729081 /nfs/dbraw/zinc/72/90/81/570729081.db2.gz NNRWOVAEICQMRF-UHFFFAOYSA-N 1 0 369.472 4.187 40 0 FIABRO COc1ccc2[nH]c(C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)c(C)c2c1 ZINC000012363574 570738762 /nfs/dbraw/zinc/73/87/62/570738762.db2.gz GFDQNXOCJMUHAP-UHFFFAOYSA-N 1 0 368.452 4.108 40 0 FIABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccc(F)c(F)c2)C3)cc1 ZINC000012361651 570738771 /nfs/dbraw/zinc/73/87/71/570738771.db2.gz UXVXOUIGTMSEAE-VSOVRNOCSA-N 1 0 373.443 4.093 40 0 FIABRO O=C(NCC[NH+]1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687886 570784600 /nfs/dbraw/zinc/78/46/00/570784600.db2.gz QTVDDMHAQFPZPU-UHFFFAOYSA-N 1 0 372.896 4.135 40 0 FIABRO CCOC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000036611751 570833562 /nfs/dbraw/zinc/83/35/62/570833562.db2.gz JUUYOLSVNPHHBX-MRXNPFEDSA-N 1 0 363.498 4.228 40 0 FIABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000040373285 570842292 /nfs/dbraw/zinc/84/22/92/570842292.db2.gz OQLJSNIIWHCTRD-LJQANCHMSA-N 1 0 365.558 4.371 40 0 FIABRO CC[N@H+](C)[C@@H]1CN(C(=O)c2cccc3cccnc32)C2(C1)CCCCC2 ZINC000019704014 570857151 /nfs/dbraw/zinc/85/71/51/570857151.db2.gz WFDBYTRXIPMTHK-SFHVURJKSA-N 1 0 351.494 4.104 40 0 FIABRO O=C(COc1cccc2ccccc21)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000017074270 570869648 /nfs/dbraw/zinc/86/96/48/570869648.db2.gz KIVKMGULYDPYJE-UHFFFAOYSA-N 1 0 360.457 4.453 40 0 FIABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019019531 570879360 /nfs/dbraw/zinc/87/93/60/570879360.db2.gz NLIMSVDJUDMWHZ-BJLQDIEVSA-N 1 0 374.937 4.238 40 0 FIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3nc(C)n4ccccc34)C2)c1 ZINC000019240665 570884089 /nfs/dbraw/zinc/88/40/89/570884089.db2.gz DKWMRFTYLCZNCT-QGZVFWFLSA-N 1 0 365.477 4.040 40 0 FIABRO c1cnc2ccc(C[NH+]3CCC(c4nnc(-c5ccncc5)o4)CC3)cc2c1 ZINC000019347007 570886792 /nfs/dbraw/zinc/88/67/92/570886792.db2.gz PLQNWDCBRBRXLK-UHFFFAOYSA-N 1 0 371.444 4.059 40 0 FIABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019525781 570891554 /nfs/dbraw/zinc/89/15/54/570891554.db2.gz OAEHIPJFFLNJFH-UGESXGAOSA-N 1 0 351.494 4.110 40 0 FIABRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(C)nc3c(C)cccn23)cc1OC ZINC000019658980 570896822 /nfs/dbraw/zinc/89/68/22/570896822.db2.gz FAVGLHLLQACRIO-SFHVURJKSA-N 1 0 365.477 4.305 40 0 FIABRO COc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1C[NH+]1CCCC1 ZINC000019714664 570899388 /nfs/dbraw/zinc/89/93/88/570899388.db2.gz HRMSPMTYQAQOBF-UHFFFAOYSA-N 1 0 359.495 4.123 40 0 FIABRO COc1ccc2[nH]c(C[NH2+]CC3(c4cccc(F)c4)CCOCC3)cc2c1 ZINC000019715893 570899829 /nfs/dbraw/zinc/89/98/29/570899829.db2.gz JTUWMYABTYKKRC-UHFFFAOYSA-N 1 0 368.452 4.154 40 0 FIABRO Cc1ccc(-c2ncc(-c3cncn3CCC[NH+]3CCCCC3)cn2)cc1 ZINC000019719332 570900816 /nfs/dbraw/zinc/90/08/16/570900816.db2.gz GODSOIGPMZQTMQ-UHFFFAOYSA-N 1 0 361.493 4.192 40 0 FIABRO CC[C@@H](C[NH+]1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1 ZINC000019719497 570900890 /nfs/dbraw/zinc/90/08/90/570900890.db2.gz QRYISQGATPNWRW-NRFANRHFSA-N 1 0 363.509 4.232 40 0 FIABRO CC(C)Nc1n[nH]c2nc([C@H]3CCC[N@H+](CCc4ccccc4)C3)ccc12 ZINC000019742879 570901824 /nfs/dbraw/zinc/90/18/24/570901824.db2.gz FOKSYEFKGKYJMU-SFHVURJKSA-N 1 0 363.509 4.200 40 0 FIABRO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)ccc12 ZINC000019742877 570901833 /nfs/dbraw/zinc/90/18/33/570901833.db2.gz FOKSYEFKGKYJMU-GOSISDBHSA-N 1 0 363.509 4.200 40 0 FIABRO COc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CC[NH+](C)CC1 ZINC000022062316 570938339 /nfs/dbraw/zinc/93/83/39/570938339.db2.gz ONYKRGLBQBBZDH-UHFFFAOYSA-N 1 0 354.881 4.370 40 0 in-vitro FIABRO CCOc1ccc(Br)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000022074622 570939244 /nfs/dbraw/zinc/93/92/44/570939244.db2.gz LYNQDJHPJNTICV-UHFFFAOYSA-N 1 0 352.247 4.319 40 0 FIABRO CCOc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000022526482 570945977 /nfs/dbraw/zinc/94/59/77/570945977.db2.gz SMPLHYPQRYXDJU-UHFFFAOYSA-N 1 0 352.478 4.001 40 0 FIABRO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000223929226 570972240 /nfs/dbraw/zinc/97/22/40/570972240.db2.gz ZCFSLSBSAIUDBC-UHFFFAOYSA-N 1 0 366.505 4.098 40 0 FIABRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189845 570972599 /nfs/dbraw/zinc/97/25/99/570972599.db2.gz AKMYTUXDXYLPEV-MRXNPFEDSA-N 1 0 372.896 4.020 40 0 FIABRO Cc1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000224331305 570984904 /nfs/dbraw/zinc/98/49/04/570984904.db2.gz ZWAFFFQYTINBDB-UHFFFAOYSA-N 1 0 366.505 4.036 40 0 FIABRO C[C@@H](CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000224331376 570985258 /nfs/dbraw/zinc/98/52/58/570985258.db2.gz CEHMWWKPRYLQKL-IBGZPJMESA-N 1 0 350.506 4.452 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000224526793 570992261 /nfs/dbraw/zinc/99/22/61/570992261.db2.gz NSVSTAKGKFBFMN-LJQANCHMSA-N 1 0 350.506 4.127 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1 ZINC000224530089 570992315 /nfs/dbraw/zinc/99/23/15/570992315.db2.gz VKXULQWDYDCXGE-UHFFFAOYSA-N 1 0 370.924 4.219 40 0 FIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1(c2ccccc2)CCCC1 ZINC000224638908 570995594 /nfs/dbraw/zinc/99/55/94/570995594.db2.gz RLUNANKEXUFMCA-UHFFFAOYSA-N 1 0 362.517 4.411 40 0 FIABRO O=C(COc1ccc2ccccc2c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224635890 570995669 /nfs/dbraw/zinc/99/56/69/570995669.db2.gz WSCHZVPFJQHCHY-UHFFFAOYSA-N 1 0 374.484 4.131 40 0 FIABRO Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224675877 570997022 /nfs/dbraw/zinc/99/70/22/570997022.db2.gz MAEKOGYIFYUBJQ-IBGZPJMESA-N 1 0 366.505 4.065 40 0 FIABRO C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224758105 571000351 /nfs/dbraw/zinc/00/03/51/571000351.db2.gz JDFXPZAGLGUOLL-GOSISDBHSA-N 1 0 368.546 4.221 40 0 FIABRO C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224758155 571000429 /nfs/dbraw/zinc/00/04/29/571000429.db2.gz JDFXPZAGLGUOLL-SFHVURJKSA-N 1 0 368.546 4.221 40 0 FIABRO CCc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224851907 571002729 /nfs/dbraw/zinc/00/27/29/571002729.db2.gz WBICYCGCFOJNAA-UHFFFAOYSA-N 1 0 350.506 4.094 40 0 FIABRO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039768426 571024139 /nfs/dbraw/zinc/02/41/39/571024139.db2.gz SQNDRTQNQITTCR-UHFFFAOYSA-N 1 0 368.496 4.095 40 0 FIABRO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 ZINC000039748753 571024584 /nfs/dbraw/zinc/02/45/84/571024584.db2.gz HJIHQOHBVISWMU-UHFFFAOYSA-N 1 0 354.881 4.141 40 0 FIABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)CC1 ZINC000225310804 571027608 /nfs/dbraw/zinc/02/76/08/571027608.db2.gz JXRXYSGKUMTUBF-UHFFFAOYSA-N 1 0 372.896 4.384 40 0 FIABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225515542 571042045 /nfs/dbraw/zinc/04/20/45/571042045.db2.gz ROBUCNFFIAWEJM-UHFFFAOYSA-N 1 0 370.468 4.217 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(OC(C)C)c1 ZINC000225583337 571047521 /nfs/dbraw/zinc/04/75/21/571047521.db2.gz LHZQJWWGHUWQHO-SFHVURJKSA-N 1 0 363.571 4.415 40 0 FIABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556659 571048030 /nfs/dbraw/zinc/04/80/30/571048030.db2.gz NBOOKVMEVNKSLR-INIZCTEOSA-N 1 0 372.896 4.020 40 0 FIABRO O=C(/C=C/c1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000030555734 571048191 /nfs/dbraw/zinc/04/81/91/571048191.db2.gz DFMJTGNXVZIXLV-FMIVXFBMSA-N 1 0 354.881 4.265 40 0 FIABRO CCOC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225647862 571052601 /nfs/dbraw/zinc/05/26/01/571052601.db2.gz YGLQFVSWJUOHAV-KRWDZBQOSA-N 1 0 362.514 4.084 40 0 FIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225727286 571059635 /nfs/dbraw/zinc/05/96/35/571059635.db2.gz YWAJVHKHXPAART-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225738386 571060670 /nfs/dbraw/zinc/06/06/70/571060670.db2.gz BROLPPWTPNLMRB-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO Cc1cc(C)cc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225742142 571061307 /nfs/dbraw/zinc/06/13/07/571061307.db2.gz WKVLICYGKUYHMY-UHFFFAOYSA-N 1 0 353.535 4.038 40 0 FIABRO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030943635 571077711 /nfs/dbraw/zinc/07/77/11/571077711.db2.gz XEFRVLZQVPSNCK-UGKGYDQZSA-N 1 0 350.506 4.036 40 0 FIABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260816787 571123721 /nfs/dbraw/zinc/12/37/21/571123721.db2.gz QGCZSMREDLHKSB-VGSWGCGISA-N 1 0 374.525 4.084 40 0 FIABRO COCCC(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257300993 571159539 /nfs/dbraw/zinc/15/95/39/571159539.db2.gz RWMBRMZUPVJMLS-INIZCTEOSA-N 1 0 371.456 4.015 40 0 FIABRO Cc1ccc(CNC(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)cc1 ZINC000257305483 571160112 /nfs/dbraw/zinc/16/01/12/571160112.db2.gz SQGHCDKJTTVGLB-UHFFFAOYSA-N 1 0 359.473 4.049 40 0 FIABRO CC(C)(C)OC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257312911 571160670 /nfs/dbraw/zinc/16/06/70/571160670.db2.gz UQDROTUVGPVJDD-KSSXRGRSSA-N 1 0 356.510 4.138 40 0 FIABRO O=C(C[NH2+]CCc1ccccc1)N1c2ccccc2CCc2ccccc21 ZINC000035311533 571160865 /nfs/dbraw/zinc/16/08/65/571160865.db2.gz MNWWBUQDTJWWKP-UHFFFAOYSA-N 1 0 356.469 4.282 40 0 FIABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+](Cc3ncccc3F)C2)nc1 ZINC000257310745 571160852 /nfs/dbraw/zinc/16/08/52/571160852.db2.gz UGIUOGBFSVHGEX-QGZVFWFLSA-N 1 0 366.440 4.267 40 0 FIABRO CN(C)c1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000072337863 571179134 /nfs/dbraw/zinc/17/91/34/571179134.db2.gz VCFQAMJNDXRJDL-YRPNKDGESA-N 1 0 370.928 4.258 40 0 FIABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccco4)C3)cc(C(F)(F)F)n2n1 ZINC000072340867 571179271 /nfs/dbraw/zinc/17/92/71/571179271.db2.gz YNQLZQQNFWVGKI-ZDUSSCGKSA-N 1 0 364.371 4.029 40 0 FIABRO CN(C)c1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(Cl)cc3)[C@H]3CCCC[C@@H]32)cn1 ZINC000072337861 571179335 /nfs/dbraw/zinc/17/93/35/571179335.db2.gz VCFQAMJNDXRJDL-MUGJNUQGSA-N 1 0 370.928 4.258 40 0 FIABRO COc1ccccc1Cc1cccc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000072348863 571180652 /nfs/dbraw/zinc/18/06/52/571180652.db2.gz BNJGYBWINIFKFS-UHFFFAOYSA-N 1 0 373.500 4.456 40 0 FIABRO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)cc1 ZINC000072350080 571181475 /nfs/dbraw/zinc/18/14/75/571181475.db2.gz BOJHEGJNVAJHBZ-GOSISDBHSA-N 1 0 352.478 4.116 40 0 FIABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072350261 571181753 /nfs/dbraw/zinc/18/17/53/571181753.db2.gz ZAXLACUKGAEPJD-FQEVSTJZSA-N 1 0 372.516 4.489 40 0 FIABRO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000072354103 571182149 /nfs/dbraw/zinc/18/21/49/571182149.db2.gz ZSMJKHDLBGVVAY-NRFANRHFSA-N 1 0 360.505 4.094 40 0 FIABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000072354640 571182283 /nfs/dbraw/zinc/18/22/83/571182283.db2.gz AOEYGTLGFRMLTP-HXUWFJFHSA-N 1 0 362.452 4.245 40 0 FIABRO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072369960 571185121 /nfs/dbraw/zinc/18/51/21/571185121.db2.gz ATNIBGSMFCLVLI-HNNXBMFYSA-N 1 0 374.366 4.140 40 0 FIABRO Cc1cccnc1Nc1cncc([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000072376238 571186160 /nfs/dbraw/zinc/18/61/60/571186160.db2.gz BQKCMCWFKXNITL-HXUWFJFHSA-N 1 0 359.477 4.303 40 0 FIABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)nc1 ZINC000072377564 571186650 /nfs/dbraw/zinc/18/66/50/571186650.db2.gz BNWOQFZXWMGBAI-FQEVSTJZSA-N 1 0 373.504 4.346 40 0 FIABRO c1ccc(CCC[N@@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377917 571186992 /nfs/dbraw/zinc/18/69/92/571186992.db2.gz ZJTDBHAXBNQBJR-HXUWFJFHSA-N 1 0 373.504 4.427 40 0 FIABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379057 571187428 /nfs/dbraw/zinc/18/74/28/571187428.db2.gz NMOVLGNDHLNDOK-GOSISDBHSA-N 1 0 361.493 4.165 40 0 FIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000072390078 571189542 /nfs/dbraw/zinc/18/95/42/571189542.db2.gz OSQUWYWXPCTAJM-OAHLLOKOSA-N 1 0 355.463 4.186 40 0 FIABRO Cc1c2ccccc2oc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000072392541 571189933 /nfs/dbraw/zinc/18/99/33/571189933.db2.gz WUSNPUKCCLSMGL-GWJPWWOOSA-N 1 0 362.473 4.174 40 0 FIABRO CCCn1nc(C)c(-c2cncn2C[C@@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000072391891 571189983 /nfs/dbraw/zinc/18/99/83/571189983.db2.gz UFBHZPNHWBDCPV-NRFANRHFSA-N 1 0 365.525 4.385 40 0 FIABRO COCCC[N@H+](Cc1c2cccnc2[nH]c1C(C)C)Cc1cccnc1 ZINC000072393724 571190309 /nfs/dbraw/zinc/19/03/09/571190309.db2.gz ZCOHXLSOAARCCJ-UHFFFAOYSA-N 1 0 352.482 4.120 40 0 FIABRO CC(C)CC[N@@H+]1CCC[C@@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 ZINC000585100605 571221286 /nfs/dbraw/zinc/22/12/86/571221286.db2.gz PJIDYGFFQPGGOZ-OAQYLSRUSA-N 1 0 361.530 4.305 40 0 FIABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](CC1CCCCC1)CC2 ZINC000585099856 571221951 /nfs/dbraw/zinc/22/19/51/571221951.db2.gz KKUNYQAQYCKSKH-JOCHJYFZSA-N 1 0 373.541 4.219 40 0 FIABRO CC(C)[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccccc1)c1ccccc1O2 ZINC000585105946 571224564 /nfs/dbraw/zinc/22/45/64/571224564.db2.gz SQOONJOMXASDRZ-HXUWFJFHSA-N 1 0 364.489 4.183 40 0 FIABRO C[C@H]([NH2+]CCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000254017823 571291931 /nfs/dbraw/zinc/29/19/31/571291931.db2.gz OQLPSYJNZRYLOQ-CXJYHRMHSA-N 1 0 370.581 4.404 40 0 FIABRO CCC(C)(C)[NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000001999478 204023542 /nfs/dbraw/zinc/02/35/42/204023542.db2.gz VDKMYSMWQCFYBQ-IBGZPJMESA-N 1 0 369.505 4.020 40 0 in-man FIABRO c1c(C[NH2+]C[C@H]2CCCO2)sc2ncnc(NC3CCCCCC3)c12 ZINC000003989202 204117137 /nfs/dbraw/zinc/11/71/37/204117137.db2.gz SASNRPJKZVJWQW-OAHLLOKOSA-N 1 0 360.527 4.095 40 0 in-vitro FIABRO COc1cc(C[NH3+])c(Br)cc1OCc1ccccc1Cl ZINC000004855840 204170177 /nfs/dbraw/zinc/17/01/77/204170177.db2.gz HTGOJZLGNUBGCW-UHFFFAOYSA-N 1 0 356.647 4.149 40 0 FIABRO CCCCCOC(=O)Nc1cc(C)c(NC(=O)C[NH+](CC)CC)c(C)c1 ZINC000004792041 204164067 /nfs/dbraw/zinc/16/40/67/204164067.db2.gz WBHKGSHDNSYCIF-UHFFFAOYSA-N 1 0 363.502 4.322 40 0 FIABRO CC(C)(C)CC(C)(C)c1ccc(OCCOCCSC(N)=[NH2+])cc1 ZINC000004353076 204136104 /nfs/dbraw/zinc/13/61/04/204136104.db2.gz UHSGHDYRHYPQQB-UHFFFAOYSA-N 1 0 352.544 4.422 40 0 FIABRO COc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1 ZINC000004887815 204173404 /nfs/dbraw/zinc/17/34/04/204173404.db2.gz BJRCVQCNUFNUGY-JLYLLQBASA-N 1 0 356.510 4.143 40 0 FIABRO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425530 204266722 /nfs/dbraw/zinc/26/67/22/204266722.db2.gz WUKKUXMCGJUKMI-KRWDZBQOSA-N 1 0 356.470 4.388 40 0 biogenic,in-vitro FIABRO CC[C@@H](CO)[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008326256 204327734 /nfs/dbraw/zinc/32/77/34/204327734.db2.gz HBGWQFHUJRYYBY-SFHVURJKSA-N 1 0 353.437 4.418 40 0 FIABRO C[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008377014 204328617 /nfs/dbraw/zinc/32/86/17/204328617.db2.gz NESAPRPROGLUIF-UHFFFAOYSA-N 1 0 353.293 4.272 40 0 FIABRO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCC[NH+](C)C)cc1 ZINC000008412680 204330983 /nfs/dbraw/zinc/33/09/83/204330983.db2.gz BYIKYTOSFAXOTE-UHFFFAOYSA-N 1 0 371.488 4.369 40 0 FIABRO COc1cccc(C[NH2+]C[C@H](C)O)c1OCc1ccc(Cl)cc1Cl ZINC000008498054 204332886 /nfs/dbraw/zinc/33/28/86/204332886.db2.gz XLFAWGNMQASOCK-LBPRGKRZSA-N 1 0 370.276 4.051 40 0 FIABRO O=C(CCSc1ccc(Cl)cc1)NCCC[NH+]1CCCCCC1 ZINC000010111107 204390738 /nfs/dbraw/zinc/39/07/38/204390738.db2.gz TWBQKKWBNMMVCG-UHFFFAOYSA-N 1 0 354.947 4.205 40 0 FIABRO Cc1cc(-c2snnc2C2CC[NH+](C[C@H](C)c3ccccc3)CC2)on1 ZINC000012223966 204443840 /nfs/dbraw/zinc/44/38/40/204443840.db2.gz RYTDIAUTYAMEDD-AWEZNQCLSA-N 1 0 368.506 4.485 40 0 FIABRO CC1CC[NH+](CCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 ZINC000013613571 204539563 /nfs/dbraw/zinc/53/95/63/204539563.db2.gz DONJABAMGXLPFI-FCDQGJHFSA-N 1 0 362.517 4.465 40 0 FIABRO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C(C)C)C=C3C)[nH]c2n1 ZINC000072320904 205031262 /nfs/dbraw/zinc/03/12/62/205031262.db2.gz DBDBZDUDXMZOSU-BZSNNMDCSA-N 1 0 370.541 4.362 40 0 biogenic,in-vitro FIABRO CC(C)C(NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)C(C)C ZINC000038849163 205042883 /nfs/dbraw/zinc/04/28/83/205042883.db2.gz SWVVNNVDRQZJMZ-KRWDZBQOSA-N 1 0 350.934 4.349 40 0 FIABRO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833980 205042580 /nfs/dbraw/zinc/04/25/80/205042580.db2.gz UCCAWRSQLHHKCG-INIZCTEOSA-N 1 0 373.294 4.300 40 0 FIABRO C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872541 205113584 /nfs/dbraw/zinc/11/35/84/205113584.db2.gz YUHVVNANCVDGCL-MRXNPFEDSA-N 1 0 372.896 4.020 40 0 FIABRO O=C(NCCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044909196 205115382 /nfs/dbraw/zinc/11/53/82/205115382.db2.gz HAJMTEAQMXSXHK-FQEVSTJZSA-N 1 0 370.924 4.301 40 0 FIABRO CC1CC[NH+](CCCNC(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000105836078 206010713 /nfs/dbraw/zinc/01/07/13/206010713.db2.gz SIJXPUCHTWDQEY-UHFFFAOYSA-N 1 0 357.325 4.164 40 0 FIABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](CCCc4ccccc4)C3)o2)cc1 ZINC000049170115 206085541 /nfs/dbraw/zinc/08/55/41/206085541.db2.gz XRRZNVZAHCTUPC-IBGZPJMESA-N 1 0 363.461 4.167 40 0 biogenic,in-vitro FIABRO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CCCc3ccccc3)n2)nc1 ZINC000049155375 206085875 /nfs/dbraw/zinc/08/58/75/206085875.db2.gz LTCHHTTVJQDJJU-SFHVURJKSA-N 1 0 352.413 4.040 40 0 biogenic,in-vitro FIABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](CCCc3ccccc3)C2)o1 ZINC000049170016 206086317 /nfs/dbraw/zinc/08/63/17/206086317.db2.gz IQFGVBKLPVBIAH-SFHVURJKSA-N 1 0 363.461 4.167 40 0 biogenic,in-vitro FIABRO c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169834 206086378 /nfs/dbraw/zinc/08/63/78/206086378.db2.gz LWGVCUPLEMQKAE-KRWDZBQOSA-N 1 0 358.445 4.131 40 0 biogenic,in-vitro FIABRO Cn1cc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)c2ccccc21 ZINC000049169378 206086758 /nfs/dbraw/zinc/08/67/58/206086758.db2.gz INGCVSUBKDFJQD-KRWDZBQOSA-N 1 0 358.445 4.218 40 0 biogenic,in-vitro FIABRO COc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000002685812 206156399 /nfs/dbraw/zinc/15/63/99/206156399.db2.gz JCMGAXSQIBOSJA-WMZOPIPTSA-N 1 0 357.494 4.083 40 0 FIABRO Cc1ccc(-c2cc3nc(C)cc(NCC(C)(C)C[NH+](C)C)n3n2)cc1 ZINC000001340695 206146983 /nfs/dbraw/zinc/14/69/83/206146983.db2.gz FDLVBGDTQJBRTP-UHFFFAOYSA-N 1 0 351.498 4.013 40 0 FIABRO C[n+]1ccc(/C=C/c2cn(CC(=O)NC3CCCCC3)c3ccccc23)cc1 ZINC000004932975 206185603 /nfs/dbraw/zinc/18/56/03/206185603.db2.gz FRBADZVWYHLEBW-UHFFFAOYSA-O 1 0 374.508 4.085 40 0 FIABRO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)c1 ZINC000008578310 206217314 /nfs/dbraw/zinc/21/73/14/206217314.db2.gz VRFWIBANEXJTKA-AYHJJNSGSA-N 1 0 355.507 4.070 40 0 FIABRO CCOc1cc(C[NH2+]C)cc(Br)c1OCc1ccccc1 ZINC000008254035 206246093 /nfs/dbraw/zinc/24/60/93/206246093.db2.gz GGLAHFRVVVEYSV-UHFFFAOYSA-N 1 0 350.256 4.146 40 0 FIABRO O=c1[nH]c2c(cccc2Cc2ccccc2)cc1C[NH2+]Cc1ccccc1 ZINC000013566534 206303462 /nfs/dbraw/zinc/30/34/62/206303462.db2.gz LRYLAMPTFNIZGF-UHFFFAOYSA-N 1 0 354.453 4.409 40 0 FIABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Br ZINC000017074065 206321703 /nfs/dbraw/zinc/32/17/03/206321703.db2.gz XUSCHTWFFOTJMY-UHFFFAOYSA-N 1 0 359.267 4.297 40 0 FIABRO O=C(C[NH2+]Cc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000057711903 206388911 /nfs/dbraw/zinc/38/89/11/206388911.db2.gz HVZXVVUZISPBBQ-UHFFFAOYSA-N 1 0 350.393 4.346 40 0 FIABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623991 206462038 /nfs/dbraw/zinc/46/20/38/206462038.db2.gz SBTGGWPHZCUAAI-QFIPXVFZSA-N 1 0 366.505 4.065 40 0 FIABRO CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224699484 206462847 /nfs/dbraw/zinc/46/28/47/206462847.db2.gz QXIGXJLUSAIDKT-UHFFFAOYSA-N 1 0 366.505 4.310 40 0 FIABRO O=C(CCc1ccc(F)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224700555 206463225 /nfs/dbraw/zinc/46/32/25/206463225.db2.gz RFXVQESDBHTPNN-UHFFFAOYSA-N 1 0 354.469 4.061 40 0 FIABRO COc1ccc(CC[NH2+]CC(=O)N2c3ccccc3[C@@H](C)CC2(C)C)cc1 ZINC000004894679 132255437 /nfs/dbraw/zinc/25/54/37/132255437.db2.gz QUKFWESELZACCU-KRWDZBQOSA-N 1 0 366.505 4.146 40 0 FIABRO CC(C)c1cc(N2CCc3ccccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328976279 132372085 /nfs/dbraw/zinc/37/20/85/132372085.db2.gz FNVYFNWUKYACFJ-UHFFFAOYSA-N 1 0 350.510 4.329 40 0 FIABRO COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[NH2+]Cc1cccs1 ZINC000057698903 136129957 /nfs/dbraw/zinc/12/99/57/136129957.db2.gz XPZMBSRQAXXOCN-UHFFFAOYSA-N 1 0 356.491 4.075 40 0 FIABRO O=C(c1cccc(Cl)c1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408607258 263480887 /nfs/dbraw/zinc/48/08/87/263480887.db2.gz KIAUHVOCZWDVKS-FQEVSTJZSA-N 1 0 354.881 4.003 40 0 FIABRO CCOc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000019931571 521356470 /nfs/dbraw/zinc/35/64/70/521356470.db2.gz UAVOQCPXZCTRJI-UHFFFAOYSA-N 1 0 352.478 4.001 40 0 FIABRO c1cc(C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)co1 ZINC000096038169 570472554 /nfs/dbraw/zinc/47/25/54/570472554.db2.gz SYPGAOIGLPSKHF-UHFFFAOYSA-N 1 0 358.445 4.369 40 0 FIABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096051151 570474570 /nfs/dbraw/zinc/47/45/70/570474570.db2.gz SKXVCJREEXPHRN-GOSISDBHSA-N 1 0 363.477 4.189 40 0 FIABRO CCCC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096242827 570480047 /nfs/dbraw/zinc/48/00/47/570480047.db2.gz JHRUVSXLCGSVSI-LJQANCHMSA-N 1 0 368.477 4.054 40 0 FIABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260492725 570631077 /nfs/dbraw/zinc/63/10/77/570631077.db2.gz ONESPQPJKIGFOC-MJGOQNOKSA-N 1 0 366.933 4.268 40 0 FIABRO CSc1ccc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119080 570720127 /nfs/dbraw/zinc/72/01/27/570720127.db2.gz ZVTKEBXJTREFMV-INIZCTEOSA-N 1 0 354.475 4.154 40 0 FIABRO COc1ccc(C[N@@H+](Cc2c(C)oc3ccccc32)C[C@@H](C)O)cc1OC ZINC000012185523 570724903 /nfs/dbraw/zinc/72/49/03/570724903.db2.gz IGBGSHSQATVZLB-OAHLLOKOSA-N 1 0 369.461 4.141 40 0 FIABRO C[N@H+](Cc1ccccc1OC[C@@H]1CCCO1)Cc1cccc2ncccc12 ZINC000012191747 570725848 /nfs/dbraw/zinc/72/58/48/570725848.db2.gz DNSLHXUKMRBATF-FQEVSTJZSA-N 1 0 362.473 4.425 40 0 FIABRO CC(C)Oc1ccc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)cc1 ZINC000012220283 570728530 /nfs/dbraw/zinc/72/85/30/570728530.db2.gz LDXPEZRWQIGDHJ-UHFFFAOYSA-N 1 0 350.466 4.125 40 0 FIABRO Cc1ccnn1CC[NH2+]Cc1cc(-c2ccccc2)cnc1-c1ccncc1 ZINC000012233849 570730309 /nfs/dbraw/zinc/73/03/09/570730309.db2.gz MCBOLJKFCUHWGH-UHFFFAOYSA-N 1 0 369.472 4.105 40 0 FIABRO C[N@@H+](Cc1cccc2ncccc12)Cc1cc(-c2ccccc2)c[nH]c1=O ZINC000012325988 570736731 /nfs/dbraw/zinc/73/67/31/570736731.db2.gz QRQNYFQUZLJIDA-UHFFFAOYSA-N 1 0 355.441 4.222 40 0 FIABRO COc1ccc2nc(C[NH+]3CCC(O)(c4ccc(C)cc4)CC3)ccc2c1 ZINC000012328857 570737383 /nfs/dbraw/zinc/73/73/83/570737383.db2.gz OJLBZWLCVGWJLZ-UHFFFAOYSA-N 1 0 362.473 4.035 40 0 FIABRO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4[C@H](C)CCC[C@@H]4C)n3)cc2)n1 ZINC000012337080 570737819 /nfs/dbraw/zinc/73/78/19/570737819.db2.gz BSOJNMAWSBVCCP-GASCZTMLSA-N 1 0 363.465 4.265 40 0 FIABRO CCOC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000013673222 570783757 /nfs/dbraw/zinc/78/37/57/570783757.db2.gz POMGNZIAHDAYFX-UHFFFAOYSA-N 1 0 366.461 4.102 40 0 FIABRO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063248 570797280 /nfs/dbraw/zinc/79/72/80/570797280.db2.gz YEIRBONYEZNXJZ-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO O[C@@H](C[NH2+]C1CCCCC1)COCC(c1ccccc1)c1ccccc1 ZINC000040373185 570842140 /nfs/dbraw/zinc/84/21/40/570842140.db2.gz GTOZFTXRFQBFTC-QFIPXVFZSA-N 1 0 353.506 4.118 40 0 FIABRO O=C(C1CC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019343528 570886088 /nfs/dbraw/zinc/88/60/88/570886088.db2.gz MBLYLWQQNAHIKO-GUDVDZBRSA-N 1 0 372.559 4.036 40 0 FIABRO Fc1ccc([C@@H]2COC[C@H]2[N@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC000019371527 570887928 /nfs/dbraw/zinc/88/79/28/570887928.db2.gz VFXQBFNNMXOAEL-XZOQPEGZSA-N 1 0 362.448 4.406 40 0 FIABRO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019406583 570888722 /nfs/dbraw/zinc/88/87/22/570888722.db2.gz OYRAKWUKNGTAMK-ACRUOGEOSA-N 1 0 372.578 4.355 40 0 FIABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000019455630 570889690 /nfs/dbraw/zinc/88/96/90/570889690.db2.gz SOLADNXPSBPMSJ-JPYJTQIMSA-N 1 0 365.521 4.165 40 0 FIABRO CCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(OC)cc3)[C@H]3CCCC[C@@H]32)cn1 ZINC000019523473 570891118 /nfs/dbraw/zinc/89/11/18/570891118.db2.gz NNYLJVOJAMVVOP-LGGPRVQUSA-N 1 0 351.494 4.110 40 0 FIABRO CCCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cn1 ZINC000019525793 570891695 /nfs/dbraw/zinc/89/16/95/570891695.db2.gz YALMPFORSXQCOG-SCPDWHHUSA-N 1 0 365.521 4.500 40 0 FIABRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1)O[C@@H](C)C2 ZINC000019532559 570892176 /nfs/dbraw/zinc/89/21/76/570892176.db2.gz FREIJDIUYBPUAJ-TWOQFEAHSA-N 1 0 370.493 4.206 40 0 FIABRO COc1c(C)cc(C(=O)N2CCC[C@H](c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC000019570063 570894072 /nfs/dbraw/zinc/89/40/72/570894072.db2.gz XGBYSLMQDZPVHI-INIZCTEOSA-N 1 0 363.461 4.208 40 0 FIABRO Cc1noc2nc(C3CC[NH+](Cc4ccccn4)CC3)cc(C(F)F)c12 ZINC000019565081 570894306 /nfs/dbraw/zinc/89/43/06/570894306.db2.gz KHIKIPYBCNCYCH-UHFFFAOYSA-N 1 0 358.392 4.243 40 0 FIABRO O=C(Nc1ccccc1OCc1ccccn1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000019660112 570897369 /nfs/dbraw/zinc/89/73/69/570897369.db2.gz YADYIDRUQOHUHM-HXUWFJFHSA-N 1 0 365.477 4.006 40 0 FIABRO CN(C)CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022075035 570939375 /nfs/dbraw/zinc/93/93/75/570939375.db2.gz FPTJGQMZRXVFSI-UHFFFAOYSA-N 1 0 353.293 4.224 40 0 FIABRO Cc1ccccc1CSCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224757886 571000510 /nfs/dbraw/zinc/00/05/10/571000510.db2.gz ZEVKPUSFXKRDRA-UHFFFAOYSA-N 1 0 368.546 4.140 40 0 FIABRO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000224847642 571002296 /nfs/dbraw/zinc/00/22/96/571002296.db2.gz MLYUXCHXNHVIHG-SFHVURJKSA-N 1 0 366.505 4.093 40 0 FIABRO Cc1cc(C)cc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000225229670 571022910 /nfs/dbraw/zinc/02/29/10/571022910.db2.gz VYWCNPVYXQCYEK-UHFFFAOYSA-N 1 0 359.564 4.316 40 0 FIABRO COc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000039761710 571023096 /nfs/dbraw/zinc/02/30/96/571023096.db2.gz ISWKAVDALQJKHT-UHFFFAOYSA-N 1 0 358.869 4.199 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSC3CCCCC3)CC2)cc1 ZINC000039773094 571023974 /nfs/dbraw/zinc/02/39/74/571023974.db2.gz OBLFACWZZBQDEG-UHFFFAOYSA-N 1 0 374.594 4.389 40 0 FIABRO C[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000225338108 571029221 /nfs/dbraw/zinc/02/92/21/571029221.db2.gz BLIOYJIYGRAGJC-CQSZACIVSA-N 1 0 357.325 4.164 40 0 FIABRO Fc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](CC5CC5)C4)nn3c2)c1 ZINC000306143439 571042460 /nfs/dbraw/zinc/04/24/60/571042460.db2.gz YCHAMSXZXKLQJI-GOSISDBHSA-N 1 0 350.441 4.125 40 0 FIABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225622619 571050351 /nfs/dbraw/zinc/05/03/51/571050351.db2.gz YBISHAYBQRPIMI-OAQYLSRUSA-N 1 0 364.530 4.331 40 0 FIABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC(C)CC1 ZINC000225640293 571051867 /nfs/dbraw/zinc/05/18/67/571051867.db2.gz LCDSFXZAYNQNGT-UHFFFAOYSA-N 1 0 374.525 4.085 40 0 FIABRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000029903677 571061913 /nfs/dbraw/zinc/06/19/13/571061913.db2.gz KBMHKOBWOTUJHP-UHFFFAOYSA-N 1 0 358.869 4.199 40 0 FIABRO CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](Cc2ccccc2)CC1 ZINC000033605090 571066022 /nfs/dbraw/zinc/06/60/22/571066022.db2.gz RIGNIZMZYKGGHY-UHFFFAOYSA-N 1 0 366.505 4.111 40 0 in-vitro FIABRO CC[C@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328988469 571106324 /nfs/dbraw/zinc/10/63/24/571106324.db2.gz IGZJGPQNIFPSPA-HOTGVXAUSA-N 1 0 368.525 4.426 40 0 FIABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816843 571123674 /nfs/dbraw/zinc/12/36/74/571123674.db2.gz RBROHHGBHQVTFE-DYESRHJHSA-N 1 0 362.514 4.084 40 0 FIABRO c1ccc(-c2noc([C@H]3CC[N@@H+](Cc4ccc5ccccc5n4)C3)n2)cc1 ZINC000257227420 571152247 /nfs/dbraw/zinc/15/22/47/571152247.db2.gz FPEIKVJKVGFXER-SFHVURJKSA-N 1 0 356.429 4.274 40 0 FIABRO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2ccncc2C)nc(C)n1 ZINC000257281743 571157734 /nfs/dbraw/zinc/15/77/34/571157734.db2.gz OQUCUDQZTXAMNH-FQEVSTJZSA-N 1 0 374.492 4.273 40 0 FIABRO O=C1O[C@@]2(CN1Cc1ccccc1)CCC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000257302930 571159929 /nfs/dbraw/zinc/15/99/29/571159929.db2.gz SFAUWECOZFTUOC-QFIPXVFZSA-N 1 0 368.452 4.203 40 0 FIABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2cc3ccccc3s2)n1 ZINC000257317381 571161409 /nfs/dbraw/zinc/16/14/09/571161409.db2.gz VJNSMWPBCQMHRP-SFHVURJKSA-N 1 0 352.507 4.090 40 0 FIABRO Cc1ccc2c(c1)OC1(CC[NH+](Cc3cccnc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257327106 571162393 /nfs/dbraw/zinc/16/23/93/571162393.db2.gz WZYRQQUJVABLSZ-RBBKRZOGSA-N 1 0 364.489 4.285 40 0 FIABRO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350078 571181390 /nfs/dbraw/zinc/18/13/90/571181390.db2.gz SJHMZHKCXYMPGT-GOSISDBHSA-N 1 0 352.478 4.116 40 0 FIABRO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072355521 571182381 /nfs/dbraw/zinc/18/23/81/571182381.db2.gz XNVDQWVKMOKSNP-QGZVFWFLSA-N 1 0 353.514 4.298 40 0 FIABRO O=C(NCc1ccccc1)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]C1 ZINC000072391923 571189940 /nfs/dbraw/zinc/18/99/40/571189940.db2.gz KTZHGSQCBAQQII-RUZDIDTESA-N 1 0 370.496 4.192 40 0 FIABRO Cc1cnc2[nH]c(C3CC3)c(C[N@H+](C)C[C@@H]3COc4ccccc4O3)c2c1 ZINC000072395255 571190734 /nfs/dbraw/zinc/19/07/34/571190734.db2.gz FHFMGQIXRQUXAC-MRXNPFEDSA-N 1 0 363.461 4.021 40 0 FIABRO Cc1cnc2[nH]c(C3CC3)c(C[N@H+](C)C[C@H]3COc4ccccc4O3)c2c1 ZINC000072395256 571190838 /nfs/dbraw/zinc/19/08/38/571190838.db2.gz FHFMGQIXRQUXAC-INIZCTEOSA-N 1 0 363.461 4.021 40 0 FIABRO CC(C)COC(=O)NC1CC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000585103827 571222591 /nfs/dbraw/zinc/22/25/91/571222591.db2.gz RWQCUKZCHALHLU-UHFFFAOYSA-N 1 0 366.452 4.092 40 0 FIABRO CC(C)[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccccc1)c1ccccc1O2 ZINC000585105945 571224542 /nfs/dbraw/zinc/22/45/42/571224542.db2.gz SQOONJOMXASDRZ-FQEVSTJZSA-N 1 0 364.489 4.183 40 0 FIABRO CC(C)[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)[C@H]3CCCO3)cc2)[C@H](C)C1 ZINC000247980930 571291003 /nfs/dbraw/zinc/29/10/03/571291003.db2.gz HCJTYJZVXXRLGC-YFVAEKQCSA-N 1 0 358.526 4.103 40 0 FIABRO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000009062948 571302404 /nfs/dbraw/zinc/30/24/04/571302404.db2.gz YMEAUQQYDOVHQS-UHFFFAOYSA-N 1 0 350.462 4.048 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 ZINC000009063184 571302517 /nfs/dbraw/zinc/30/25/17/571302517.db2.gz NCCLKYCPUCVOJE-HXUWFJFHSA-N 1 0 364.533 4.345 40 0 FIABRO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010338131 571303209 /nfs/dbraw/zinc/30/32/09/571303209.db2.gz YQSZSBJRUZQCDA-UHFFFAOYSA-N 1 0 352.522 4.371 40 0 FIABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2Cc1ccc(-c2ccccn2)cc1 ZINC000019712368 571304681 /nfs/dbraw/zinc/30/46/81/571304681.db2.gz WNCCWLVWBIZZQS-XZOQPEGZSA-N 1 0 363.505 4.114 40 0 FIABRO CC(=O)OC1(c2nccc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000005389709 204207119 /nfs/dbraw/zinc/20/71/19/204207119.db2.gz ZXCNKOFMCKDVGP-UHFFFAOYSA-N 1 0 360.457 4.289 40 0 FIABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCCCC1)C2 ZINC000035289816 204222879 /nfs/dbraw/zinc/22/28/79/204222879.db2.gz RCBWQPNTGIJOJM-SEJPIABJSA-N 1 0 370.537 4.277 40 0 FIABRO CC1(C)N(O[C@@H]2CCCCO2)[C@H](c2ccccc2)C(c2ccccc2)[N+]1=O ZINC000005836721 204226500 /nfs/dbraw/zinc/22/65/00/204226500.db2.gz GAMOJAJDLUVODK-TZIWHRDSSA-N 1 0 366.461 4.237 40 0 FIABRO CC(C)(CO)[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000006883111 204279880 /nfs/dbraw/zinc/27/98/80/204279880.db2.gz KMORNUMLBDHDHG-UHFFFAOYSA-N 1 0 353.437 4.418 40 0 FIABRO Fc1ccc(NC(=S)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007402434 204296825 /nfs/dbraw/zinc/29/68/25/204296825.db2.gz DCDRYYCWEHRUMM-UHFFFAOYSA-N 1 0 357.498 4.298 40 0 FIABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)C ZINC000008253299 204323564 /nfs/dbraw/zinc/32/35/64/204323564.db2.gz INLRVURNLUJLFI-UHFFFAOYSA-N 1 0 365.109 4.498 40 0 FIABRO O=C(/C=C/c1ccccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008429929 204331088 /nfs/dbraw/zinc/33/10/88/204331088.db2.gz URSPKCLTYPMALS-VAWYXSNFSA-N 1 0 354.881 4.265 40 0 FIABRO CCOC(=O)c1cc(Cl)cnc1C1CC[NH+](Cc2cccs2)CC1 ZINC000012275359 204445649 /nfs/dbraw/zinc/44/56/49/204445649.db2.gz FRMGZCGOXWYKMT-UHFFFAOYSA-N 1 0 364.898 4.353 40 0 FIABRO CCc1[nH]c2ccc(C(=O)N3CCC[C@H](C[NH+](CC)CC)C3)cc2c1C ZINC000019521349 204687940 /nfs/dbraw/zinc/68/79/40/204687940.db2.gz LLPCWCKIROKPHE-QGZVFWFLSA-N 1 0 355.526 4.233 40 0 FIABRO Cc1ccc(SCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462232 204928843 /nfs/dbraw/zinc/92/88/43/204928843.db2.gz NZNQUOYUQWZRKT-UHFFFAOYSA-N 1 0 368.546 4.389 40 0 FIABRO COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000036740455 205021481 /nfs/dbraw/zinc/02/14/81/205021481.db2.gz IBANEINJXLYZHG-UHFFFAOYSA-N 1 0 367.537 4.402 40 0 FIABRO Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044874699 205113270 /nfs/dbraw/zinc/11/32/70/205113270.db2.gz IDFUGNFIYQMCID-IBGZPJMESA-N 1 0 366.505 4.065 40 0 FIABRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752098 206023139 /nfs/dbraw/zinc/02/31/39/206023139.db2.gz IUKBSJKDVDQOSG-GOTSBHOMSA-N 1 0 373.537 4.273 40 0 FIABRO Cc1ccccc1C[N@H+]1CC[C@H](c2nnc(-c3ccc(N(C)C)cc3)o2)C1 ZINC000049170240 206085948 /nfs/dbraw/zinc/08/59/48/206085948.db2.gz VKGVKKITXMMNGP-IBGZPJMESA-N 1 0 362.477 4.101 40 0 biogenic,in-vitro FIABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000226170389 206120084 /nfs/dbraw/zinc/12/00/84/206120084.db2.gz IDMDYWOMAWKGAQ-ZRCGQRJVSA-N 1 0 367.533 4.459 40 0 FIABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[NH2+]CCOC(=O)Nc1ccccc1)C2 ZINC000002277159 206153559 /nfs/dbraw/zinc/15/35/59/206153559.db2.gz LBEOWKDSFZCIPA-YRISNDGFSA-N 1 0 360.498 4.056 40 0 FIABRO CCOc1c(Br)cc(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000007538048 206244930 /nfs/dbraw/zinc/24/49/30/206244930.db2.gz ATBMYNRUMWRQQN-UHFFFAOYSA-N 1 0 364.283 4.455 40 0 FIABRO COCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008469148 206247120 /nfs/dbraw/zinc/24/71/20/206247120.db2.gz KOSCGBVMKXCZEG-UHFFFAOYSA-N 1 0 370.276 4.317 40 0 FIABRO COc1ccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013992589 206308151 /nfs/dbraw/zinc/30/81/51/206308151.db2.gz VJGPORBCIGWQQZ-UHFFFAOYSA-N 1 0 367.537 4.402 40 0 FIABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1)c1cccc(Cl)c1 ZINC000027698630 206456509 /nfs/dbraw/zinc/45/65/09/206456509.db2.gz DHSOVXXSVVZUIC-SEJPIABJSA-N 1 0 368.908 4.308 40 0 FIABRO CC(C)Oc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224526231 206460087 /nfs/dbraw/zinc/46/00/87/206460087.db2.gz FMNYAMMEJLXIRW-UHFFFAOYSA-N 1 0 366.505 4.390 40 0 FIABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000028227170 206467959 /nfs/dbraw/zinc/46/79/59/206467959.db2.gz YAPPSRAZKHCZNB-OAHLLOKOSA-N 1 0 354.494 4.033 40 0 FIABRO CC(=O)Nc1cc(CCC2CC[NH+](Cc3ccc(F)cc3)CC2)ccn1 ZINC000257297852 206620084 /nfs/dbraw/zinc/62/00/84/206620084.db2.gz RJAPDXNRLCWHGI-UHFFFAOYSA-N 1 0 355.457 4.024 40 0 FIABRO CNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C(C)C)[nH+]1 ZINC000329071417 132373252 /nfs/dbraw/zinc/37/32/52/132373252.db2.gz ZPLNIMHLKBTHSA-UHFFFAOYSA-N 1 0 366.387 4.103 40 0 FIABRO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000039748369 263399802 /nfs/dbraw/zinc/39/98/02/263399802.db2.gz AOWARRFLLPFILK-UHFFFAOYSA-N 1 0 358.482 4.398 40 0 FIABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020046547 523052712 /nfs/dbraw/zinc/05/27/12/523052712.db2.gz DGMCEVPZRMHHQX-OAQYLSRUSA-N 1 0 370.493 4.333 40 0 FIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)C1 ZINC000019933117 524091729 /nfs/dbraw/zinc/09/17/29/524091729.db2.gz BHOJTORKYUYDDN-SFHVURJKSA-N 1 0 368.496 4.420 40 0 FIABRO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000223087088 568607958 /nfs/dbraw/zinc/60/79/58/568607958.db2.gz SIFBQKUFNBAIGZ-UHFFFAOYSA-N 1 0 368.496 4.175 40 0 FIABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)s1 ZINC000096047017 570473177 /nfs/dbraw/zinc/47/31/77/570473177.db2.gz SYCUZJGQAWOPAY-LJQANCHMSA-N 1 0 360.548 4.246 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(C)c3)CC2)o1 ZINC000096049436 570474324 /nfs/dbraw/zinc/47/43/24/570474324.db2.gz FGLKOEIJZSXIJZ-UHFFFAOYSA-N 1 0 352.478 4.054 40 0 FIABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)s3)CC2)c2ccccc21 ZINC000096052575 570474330 /nfs/dbraw/zinc/47/43/30/570474330.db2.gz BOVZGORVCYSDEQ-KRWDZBQOSA-N 1 0 368.546 4.214 40 0 FIABRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 ZINC000096057054 570474407 /nfs/dbraw/zinc/47/44/07/570474407.db2.gz IUKBSJKDVDQOSG-XZOQPEGZSA-N 1 0 373.537 4.273 40 0 FIABRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2nccs2)C3)cc1 ZINC000096215813 570479657 /nfs/dbraw/zinc/47/96/57/570479657.db2.gz LBMOANJEOXTYGQ-OAQYLSRUSA-N 1 0 355.551 4.194 40 0 FIABRO FC(F)(F)c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000096245613 570480018 /nfs/dbraw/zinc/48/00/18/570480018.db2.gz VYQLLCDAZLDPDV-KDURUIRLSA-N 1 0 360.423 4.269 40 0 FIABRO O=C(NC1CC1)[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096241655 570480060 /nfs/dbraw/zinc/48/00/60/570480060.db2.gz QKSJXFSKMLPVMZ-IBGZPJMESA-N 1 0 366.530 4.048 40 0 FIABRO Cc1cc(Nc2ncc(-c3ccccc3)s2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000585263218 570481983 /nfs/dbraw/zinc/48/19/83/570481983.db2.gz PVGPADOWUYYQJY-OAHLLOKOSA-N 1 0 351.479 4.119 40 0 FIABRO OC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271341 570485452 /nfs/dbraw/zinc/48/54/52/570485452.db2.gz WVJHXOJEVHRIEV-UHFFFAOYSA-N 1 0 370.880 4.227 40 0 FIABRO CC(=O)N1CCC[C@H]([NH2+]CCc2cccc(C)c2)[C@@H]1Cc1cccc(C)c1 ZINC000585284718 570494034 /nfs/dbraw/zinc/49/40/34/570494034.db2.gz HCFRIHAUESRZFA-ZEQRLZLVSA-N 1 0 364.533 4.058 40 0 FIABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000585288432 570496499 /nfs/dbraw/zinc/49/64/99/570496499.db2.gz ACUISGPYEIQTKE-IPMKNSEASA-N 1 0 366.288 4.444 40 0 FIABRO Cc1ccc(OCCC[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369843 570546856 /nfs/dbraw/zinc/54/68/56/570546856.db2.gz CFLULRNHYUYSRU-IBGZPJMESA-N 1 0 363.461 4.303 40 0 FIABRO Cc1nc(C)c(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)s1 ZINC000329183228 570610861 /nfs/dbraw/zinc/61/08/61/570610861.db2.gz OUVURLREYQKRMX-HNNXBMFYSA-N 1 0 372.469 4.329 40 0 FIABRO C[C@H]([NH2+]CCN(C)C)[C@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C ZINC000036370929 570696707 /nfs/dbraw/zinc/69/67/07/570696707.db2.gz OQLPSYJNZRYLOQ-BIBSNSOOSA-N 1 0 370.581 4.404 40 0 FIABRO COc1ccc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)cc1OC ZINC000012188672 570725239 /nfs/dbraw/zinc/72/52/39/570725239.db2.gz YTXUWZNFFBTWBH-UHFFFAOYSA-N 1 0 363.461 4.027 40 0 FIABRO O=C(NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCCC2)CC1)C1CC1 ZINC000012188795 570725343 /nfs/dbraw/zinc/72/53/43/570725343.db2.gz NRAZFRMEXQVDHT-QFIPXVFZSA-N 1 0 354.538 4.341 40 0 FIABRO COc1ccc(-c2cccc(C[NH+]3CCC(O)(c4cccnc4)CC3)c2)cc1 ZINC000012363655 570738793 /nfs/dbraw/zinc/73/87/93/570738793.db2.gz QFOKJRLCFMGFDM-UHFFFAOYSA-N 1 0 374.484 4.241 40 0 FIABRO COc1ccc(C)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012345049 570738818 /nfs/dbraw/zinc/73/88/18/570738818.db2.gz NAOKACACPUFDLI-RLAPIPATSA-N 1 0 355.453 4.157 40 0 FIABRO Cc1oc2ccccc2c1C[NH+]1CCC(n2c3ccccc3oc2=O)CC1 ZINC000012737669 570758618 /nfs/dbraw/zinc/75/86/18/570758618.db2.gz XSZPDQUOTBCYRG-UHFFFAOYSA-N 1 0 362.429 4.486 40 0 FIABRO Cc1nc(-c2nc(NCCC[NH+](C)C)ncc2-c2ccsc2)sc1C ZINC000012751484 570760154 /nfs/dbraw/zinc/76/01/54/570760154.db2.gz KBSNSGUVYFMEET-UHFFFAOYSA-N 1 0 373.551 4.309 40 0 FIABRO CCc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000006941093 570785878 /nfs/dbraw/zinc/78/58/78/570785878.db2.gz HOABTCLHZBRPGX-UHFFFAOYSA-N 1 0 369.534 4.218 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000009062932 570797319 /nfs/dbraw/zinc/79/73/19/570797319.db2.gz JVSDRWRIBUGWGL-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO CCN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1C[NH2+]C2(C1)CCCCC2 ZINC000019704031 570857181 /nfs/dbraw/zinc/85/71/81/570857181.db2.gz RZHCAIXUCGKIRC-GOSISDBHSA-N 1 0 353.510 4.014 40 0 FIABRO O=C(COc1ccc2ccccc2c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000017074269 570869602 /nfs/dbraw/zinc/86/96/02/570869602.db2.gz XTBDNGKQIXIEHN-UHFFFAOYSA-N 1 0 360.457 4.453 40 0 FIABRO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2CC1CCCCC1 ZINC000019017748 570879447 /nfs/dbraw/zinc/87/94/47/570879447.db2.gz HEDJGAMJAMPSSG-YPAWHYETSA-N 1 0 358.501 4.185 40 0 FIABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 ZINC000019289486 570884695 /nfs/dbraw/zinc/88/46/95/570884695.db2.gz XIFHYEVXMLBKIU-CQSZACIVSA-N 1 0 358.848 4.140 40 0 FIABRO C[N@@H+]1CCCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000019364955 570887503 /nfs/dbraw/zinc/88/75/03/570887503.db2.gz RKBSVZBELVJAHP-IBGZPJMESA-N 1 0 359.311 4.176 40 0 FIABRO Clc1cc(Cl)c(OCCCCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000019365853 570887890 /nfs/dbraw/zinc/88/78/90/570887890.db2.gz JQSYHBPPRSWMPD-UHFFFAOYSA-N 1 0 365.732 4.491 40 0 FIABRO COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cnc(C(C)C)nc2)c1 ZINC000019453934 570889238 /nfs/dbraw/zinc/88/92/38/570889238.db2.gz DTSVJXKHWICMDF-UEXGIBASSA-N 1 0 367.493 4.041 40 0 FIABRO COc1ccc2c(c1)C[C@@H](c1cccnc1OC)[NH2+][C@H]2[C@@H]1CC=CCC1 ZINC000019562560 570893734 /nfs/dbraw/zinc/89/37/34/570893734.db2.gz AFKBBASLJUWZNQ-NQERJWCQSA-N 1 0 350.462 4.383 40 0 FIABRO COc1cccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)c1OC1CCCC1 ZINC000019568158 570894223 /nfs/dbraw/zinc/89/42/23/570894223.db2.gz LJJYLZIJLYWRED-QHCPKHFHSA-N 1 0 367.489 4.110 40 0 FIABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)[C@H]1CC=CCC1)Cc1ccccc1O2 ZINC000019583967 570895054 /nfs/dbraw/zinc/89/50/54/570895054.db2.gz ORXINVIVBLZODD-QRGRWYIGSA-N 1 0 368.521 4.007 40 0 FIABRO Cc1nn2c(nc3c(c2NCCC[NH+](C)C)CCCC3)c1-c1cccs1 ZINC000019582102 570895349 /nfs/dbraw/zinc/89/53/49/570895349.db2.gz ZEFJVTXUQFHOOK-UHFFFAOYSA-N 1 0 369.538 4.009 40 0 FIABRO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019686992 570898428 /nfs/dbraw/zinc/89/84/28/570898428.db2.gz XLYKKHSVQUWGII-QFIPXVFZSA-N 1 0 364.468 4.191 40 0 FIABRO C[NH+](C)Cc1ccccc1Cn1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019720011 570900827 /nfs/dbraw/zinc/90/08/27/570900827.db2.gz PYYKLLGUZSCIMZ-UHFFFAOYSA-N 1 0 363.509 4.362 40 0 FIABRO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCCCC2)ncc1C(=O)N1CCCCC1 ZINC000019765737 570902217 /nfs/dbraw/zinc/90/22/17/570902217.db2.gz OHYQRKXRAWIOEZ-FQEVSTJZSA-N 1 0 370.541 4.271 40 0 FIABRO COCc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000224334938 570985377 /nfs/dbraw/zinc/98/53/77/570985377.db2.gz ZWOBENGLZQBQKQ-QGZVFWFLSA-N 1 0 352.478 4.317 40 0 FIABRO COCc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000224535363 570992386 /nfs/dbraw/zinc/99/23/86/570992386.db2.gz OFDUMNLIEMKCOH-UHFFFAOYSA-N 1 0 372.896 4.337 40 0 FIABRO C[C@@H](SCc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224591432 570994025 /nfs/dbraw/zinc/99/40/25/570994025.db2.gz LNITZTMCMOHPGQ-GOSISDBHSA-N 1 0 368.546 4.221 40 0 FIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1F ZINC000224699549 570997841 /nfs/dbraw/zinc/99/78/41/570997841.db2.gz SOTLOSZGECBFCQ-UHFFFAOYSA-N 1 0 360.860 4.395 40 0 FIABRO CCc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224700623 570997959 /nfs/dbraw/zinc/99/79/59/570997959.db2.gz XFBOKUSYCHJQEE-UHFFFAOYSA-N 1 0 350.506 4.094 40 0 FIABRO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039773078 571024166 /nfs/dbraw/zinc/02/41/66/571024166.db2.gz YDSDYLMRSLUOOJ-UHFFFAOYSA-N 1 0 368.974 4.200 40 0 FIABRO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039748900 571024421 /nfs/dbraw/zinc/02/44/21/571024421.db2.gz UJEOPRWYDDFVNU-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO COc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039757803 571026284 /nfs/dbraw/zinc/02/62/84/571026284.db2.gz LMUNJSWNQADTIH-UHFFFAOYSA-N 1 0 358.869 4.199 40 0 FIABRO FC(F)(F)c1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1 ZINC000225399954 571033325 /nfs/dbraw/zinc/03/33/25/571033325.db2.gz IXBOOJUMHFNRRK-UHFFFAOYSA-N 1 0 359.461 4.258 40 0 FIABRO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000225575124 571046631 /nfs/dbraw/zinc/04/66/31/571046631.db2.gz HSTGKOZHBGTYMX-SFHVURJKSA-N 1 0 366.505 4.418 40 0 FIABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000030848281 571050456 /nfs/dbraw/zinc/05/04/56/571050456.db2.gz MSLFCHSRPHGFSP-HXUWFJFHSA-N 1 0 358.457 4.464 40 0 FIABRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCc2ccccc21 ZINC000030946873 571053449 /nfs/dbraw/zinc/05/34/49/571053449.db2.gz KDQXRBIBHZYIGR-GOSISDBHSA-N 1 0 354.881 4.141 40 0 FIABRO COc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000031524404 571054596 /nfs/dbraw/zinc/05/45/96/571054596.db2.gz QXRSSQUMKFZGLH-SDNWHVSQSA-N 1 0 364.489 4.011 40 0 FIABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225734911 571060386 /nfs/dbraw/zinc/06/03/86/571060386.db2.gz OJJHMCGEDXRJIB-NRFANRHFSA-N 1 0 364.530 4.187 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000260764218 571122238 /nfs/dbraw/zinc/12/22/38/571122238.db2.gz KEMSSROHPFNYAC-AZUAARDMSA-N 1 0 372.553 4.104 40 0 FIABRO CCSc1cc(OC)c(CC[NH2+]Cc2ccccc2OC)cc1OC ZINC000575419558 571149265 /nfs/dbraw/zinc/14/92/65/571149265.db2.gz OZEBFZPAWCXEGK-UHFFFAOYSA-N 1 0 361.507 4.157 40 0 in-vitro FIABRO C[N@H+](CC1CCCCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000257214690 571150778 /nfs/dbraw/zinc/15/07/78/571150778.db2.gz CNBKOSVWJPKWBL-UHFFFAOYSA-N 1 0 356.510 4.002 40 0 FIABRO Cc1cc(C)nc(Nc2ccc([C@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)n1 ZINC000257224864 571151794 /nfs/dbraw/zinc/15/17/94/571151794.db2.gz FDSZTHXJTYRPGI-HXUWFJFHSA-N 1 0 374.492 4.354 40 0 FIABRO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccc(-c3cccc(F)c3)nc2)cn1 ZINC000257223585 571151839 /nfs/dbraw/zinc/15/18/39/571151839.db2.gz DXZYXANADAZCIX-OAQYLSRUSA-N 1 0 350.441 4.348 40 0 FIABRO Cc1c[nH]c(-c2cc([C@@H]3CCC[N@H+](Cc4ccccc4F)C3)nc(C)n2)n1 ZINC000257238445 571153028 /nfs/dbraw/zinc/15/30/28/571153028.db2.gz HLABVOMIDUOOHK-QGZVFWFLSA-N 1 0 365.456 4.002 40 0 FIABRO Cc1cccc(Nc2cccc([C@H]3CN(CCc4ccccc4)CCO3)n2)n1 ZINC000257241146 571153361 /nfs/dbraw/zinc/15/33/61/571153361.db2.gz HWTZJZDDEZPADH-OAQYLSRUSA-N 1 0 374.488 4.145 40 0 FIABRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000257282366 571157852 /nfs/dbraw/zinc/15/78/52/571157852.db2.gz OTLXRPXSXJDSDV-UZLBHIALSA-N 1 0 373.497 4.004 40 0 FIABRO CC(C)(C)OC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257312910 571160806 /nfs/dbraw/zinc/16/08/06/571160806.db2.gz UQDROTUVGPVJDD-GOYZHWMFSA-N 1 0 356.510 4.138 40 0 FIABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3ccncc3C)CC2)ccn1 ZINC000257337055 571162973 /nfs/dbraw/zinc/16/29/73/571162973.db2.gz YREIEKQBNMGJFE-UHFFFAOYSA-N 1 0 362.477 4.436 40 0 FIABRO CC(C)[N@@H+]1CC[C@H](CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2)[C@H](C)C1 ZINC000072335290 571178870 /nfs/dbraw/zinc/17/88/70/571178870.db2.gz HCJTYJZVXXRLGC-LMNJBCLMSA-N 1 0 358.526 4.103 40 0 FIABRO CN(C)c1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000072337862 571179199 /nfs/dbraw/zinc/17/91/99/571179199.db2.gz VCFQAMJNDXRJDL-FYQPLNBISA-N 1 0 370.928 4.258 40 0 FIABRO c1ccc(CC[N@@H+]2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000072375935 571185789 /nfs/dbraw/zinc/18/57/89/571185789.db2.gz PXOYXFBPHYHAMA-IBGZPJMESA-N 1 0 359.477 4.037 40 0 FIABRO c1cnc(Nc2cccc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)n2)nc1 ZINC000072376014 571185799 /nfs/dbraw/zinc/18/57/99/571185799.db2.gz LTTOKXJSKYAUDR-SFHVURJKSA-N 1 0 351.498 4.375 40 0 FIABRO Cc1cccc(Nc2cncc([C@@H]3CCC[N@@H+]3CCc3ccccc3)n2)n1 ZINC000072376235 571186112 /nfs/dbraw/zinc/18/61/12/571186112.db2.gz LYYIDLHWLJGYPX-FQEVSTJZSA-N 1 0 359.477 4.303 40 0 FIABRO c1ccc(CCC[N@@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377916 571186942 /nfs/dbraw/zinc/18/69/42/571186942.db2.gz ZJTDBHAXBNQBJR-FQEVSTJZSA-N 1 0 373.504 4.427 40 0 FIABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379075 571187320 /nfs/dbraw/zinc/18/73/20/571187320.db2.gz XZEPMABWLHHPLK-GOSISDBHSA-N 1 0 350.441 4.094 40 0 FIABRO COc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000001370456 571187359 /nfs/dbraw/zinc/18/73/59/571187359.db2.gz LIEKUNYYPLIGRD-IHWFROFDSA-N 1 0 364.489 4.011 40 0 FIABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390083 571189656 /nfs/dbraw/zinc/18/96/56/571189656.db2.gz XZLYCPOVDSDBCS-HNNXBMFYSA-N 1 0 355.463 4.186 40 0 FIABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000257217186 571202887 /nfs/dbraw/zinc/20/28/87/571202887.db2.gz CXXNKXDSYMRXMQ-QYWGDWMGSA-N 1 0 363.461 4.064 40 0 FIABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)s1 ZINC000306125729 571213266 /nfs/dbraw/zinc/21/32/66/571213266.db2.gz DAASYGHBYCLAKL-LJQANCHMSA-N 1 0 371.531 4.156 40 0 FIABRO C[C@H](CC[N@@H+]1CCc2nc([C@H]3CCCCN3C)ncc2C1)c1ccccc1 ZINC000248160979 571291201 /nfs/dbraw/zinc/29/12/01/571291201.db2.gz XMIGJZFWLPJIND-XMSQKQJNSA-N 1 0 364.537 4.185 40 0 FIABRO Cc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 ZINC000022408737 571336775 /nfs/dbraw/zinc/33/67/75/571336775.db2.gz CCYRZSRCOCLIMK-NRFANRHFSA-N 1 0 355.889 4.299 40 0 FIABRO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000005458868 204209847 /nfs/dbraw/zinc/20/98/47/204209847.db2.gz MLQRZXNZHAOCHQ-SIKLNZKXSA-N 1 0 350.506 4.383 40 0 in-man FIABRO C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)C[NH+]1CCCCC1 ZINC000004900324 204174241 /nfs/dbraw/zinc/17/42/41/204174241.db2.gz YNUQPGKCYNHIBB-LSBAASHUSA-N 1 0 369.549 4.465 40 0 FIABRO CNC(=O)O[C@@H]1CCC[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000005082902 204190243 /nfs/dbraw/zinc/19/02/43/204190243.db2.gz MTSKCWQNZUQOHN-NHCUHLMSSA-N 1 0 352.478 4.356 40 0 FIABRO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000035289780 204223163 /nfs/dbraw/zinc/22/31/63/204223163.db2.gz OJRLTGJWOJQRQF-SEJPIABJSA-N 1 0 366.480 4.450 40 0 FIABRO CCCC[N@H+](CC(C)C)C[C@H](O)CNc1cc(OC)cc2ccc(C)nc21 ZINC000005837723 204227507 /nfs/dbraw/zinc/22/75/07/204227507.db2.gz IFQDOXUHSQAZMH-LJQANCHMSA-N 1 0 373.541 4.083 40 0 FIABRO S=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000007464121 204297769 /nfs/dbraw/zinc/29/77/69/204297769.db2.gz SFYJFWMWFDNQQY-UHFFFAOYSA-N 1 0 359.926 4.422 40 0 FIABRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@H](C)CC ZINC000008325920 204326427 /nfs/dbraw/zinc/32/64/27/204326427.db2.gz RHWAWKJXXJZHDP-SECBINFHSA-N 1 0 365.109 4.498 40 0 FIABRO CC[C@H](CO)[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008326991 204327587 /nfs/dbraw/zinc/32/75/87/204327587.db2.gz RWOXUULJHXUMOH-LJQANCHMSA-N 1 0 353.437 4.418 40 0 FIABRO C[NH2+]CCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008377260 204328378 /nfs/dbraw/zinc/32/83/78/204328378.db2.gz DCFADKVBNMHFCJ-UHFFFAOYSA-N 1 0 353.293 4.272 40 0 FIABRO C[N@@H+]1CCC[C@@H](CNC(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000009876311 204385049 /nfs/dbraw/zinc/38/50/49/204385049.db2.gz IMBRHVAUQVXBCM-INIZCTEOSA-N 1 0 355.507 4.107 40 0 FIABRO CCCCn1nc(C)c(C[NH2+]CC2(c3ccccc3F)CCOCC2)c1C ZINC000019502415 204685020 /nfs/dbraw/zinc/68/50/20/204685020.db2.gz PPIJTGVUASIQOT-UHFFFAOYSA-N 1 0 373.516 4.277 40 0 FIABRO Cc1ccccc1C[N@H+](CCCn1ccnc1)Cc1c[nH]nc1C(C)(C)C ZINC000036740170 205020466 /nfs/dbraw/zinc/02/04/66/205020466.db2.gz WCZNNMOFSHZJHM-UHFFFAOYSA-N 1 0 365.525 4.305 40 0 FIABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000038771957 205042480 /nfs/dbraw/zinc/04/24/80/205042480.db2.gz YPJRZXBFOZQKNE-GOSISDBHSA-N 1 0 366.505 4.418 40 0 FIABRO O=C(CCCOc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874719 205113930 /nfs/dbraw/zinc/11/39/30/205113930.db2.gz BADRGKZFCMFUNH-UHFFFAOYSA-N 1 0 366.505 4.148 40 0 FIABRO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044912256 205114309 /nfs/dbraw/zinc/11/43/09/205114309.db2.gz IBSFESXMKANTFX-LJQANCHMSA-N 1 0 356.897 4.177 40 0 FIABRO O=C(NCCCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044906417 205115029 /nfs/dbraw/zinc/11/50/29/205115029.db2.gz FWRPEXCSFYVLFT-UHFFFAOYSA-N 1 0 356.897 4.298 40 0 FIABRO Cc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350091 205515530 /nfs/dbraw/zinc/51/55/30/205515530.db2.gz MQFIYNRMSUNOOU-HXUWFJFHSA-N 1 0 350.506 4.339 40 0 FIABRO COc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000002685814 206156218 /nfs/dbraw/zinc/15/62/18/206156218.db2.gz JCMGAXSQIBOSJA-FUHWJXTLSA-N 1 0 357.494 4.083 40 0 FIABRO FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH+](Cc2ccccc2)CC1 ZINC000004895255 206182198 /nfs/dbraw/zinc/18/21/98/206182198.db2.gz CWRJLICBOSMOLO-UHFFFAOYSA-N 1 0 360.383 4.287 40 0 FIABRO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccco2)cc1 ZINC000004857261 206182535 /nfs/dbraw/zinc/18/25/35/206182535.db2.gz XPTPURYEAYOIHR-YQQQUEKLSA-N 1 0 369.534 4.460 40 0 FIABRO CCc1c(C)nc2cc(-c3cccs3)nn2c1NCC(C)(C)C[NH+](C)C ZINC000004980829 206189141 /nfs/dbraw/zinc/18/91/41/206189141.db2.gz FTLKAYOCGJQUKA-UHFFFAOYSA-N 1 0 371.554 4.328 40 0 FIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1c(F)cccc1Cl ZINC000022931756 206395004 /nfs/dbraw/zinc/39/50/04/206395004.db2.gz MNPWXGVEGNCOQS-KRWDZBQOSA-N 1 0 361.892 4.361 40 0 FIABRO CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000257274405 206615202 /nfs/dbraw/zinc/61/52/02/206615202.db2.gz NKYYBJLUNAGDTO-SFHVURJKSA-N 1 0 359.477 4.312 40 0 FIABRO CC(C)Sc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000059005691 136132096 /nfs/dbraw/zinc/13/20/96/136132096.db2.gz SCTKOBFHSWXRJR-UHFFFAOYSA-N 1 0 369.534 4.191 40 0 FIABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](O)c3ccccc3)o2)cc1 ZINC000035539953 263398322 /nfs/dbraw/zinc/39/83/22/263398322.db2.gz VYSXKPWWGYKNEV-WCJKSRRJSA-N 1 0 351.446 4.212 40 0 FIABRO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039745456 263399589 /nfs/dbraw/zinc/39/95/89/263399589.db2.gz FHUNCUOUBLLQLV-UHFFFAOYSA-N 1 0 356.441 4.075 40 0 FIABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020492940 523080268 /nfs/dbraw/zinc/08/02/68/523080268.db2.gz KTSWWLDYQLGQTL-GOSISDBHSA-N 1 0 368.974 4.449 40 0 FIABRO OC1(c2cc3ccccc3nc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000090495478 527511595 /nfs/dbraw/zinc/51/15/95/527511595.db2.gz ACOQCRWPQYUNSU-UHFFFAOYSA-N 1 0 352.865 4.372 40 0 FIABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2ccc(Cl)cc2)OC3)cc1 ZINC000096296374 560060274 /nfs/dbraw/zinc/06/02/74/560060274.db2.gz MGPSWBQREYKZFC-SFHVURJKSA-N 1 0 371.843 4.031 40 0 biogenic,in-vitro FIABRO COCC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(C(C)(C)C)o2)C[C@H]1C(C)C ZINC000030883565 560089684 /nfs/dbraw/zinc/08/96/84/560089684.db2.gz KFNXYPNRUINEOY-BZSNNMDCSA-N 1 0 363.546 4.000 40 0 biogenic,in-vitro FIABRO COc1ccc([C@H]2CC(N)=[NH+]N2c2ccc(Cl)cc2Cl)cc1OC ZINC000222549298 568538331 /nfs/dbraw/zinc/53/83/31/568538331.db2.gz NPMTYLWAHHIOCD-CQSZACIVSA-N 1 0 366.248 4.234 40 0 FIABRO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000222875702 568574895 /nfs/dbraw/zinc/57/48/95/568574895.db2.gz WHWMHHWVCGYXPS-UHFFFAOYSA-N 1 0 358.485 4.368 40 0 FIABRO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096047298 570473690 /nfs/dbraw/zinc/47/36/90/570473690.db2.gz RNGOFOUAKLPKBU-UHFFFAOYSA-N 1 0 372.509 4.406 40 0 FIABRO O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096047273 570473784 /nfs/dbraw/zinc/47/37/84/570473784.db2.gz AGLQAHUNSNVUJT-UHFFFAOYSA-N 1 0 372.509 4.406 40 0 FIABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)s1 ZINC000096051132 570474379 /nfs/dbraw/zinc/47/43/79/570474379.db2.gz AXSBCMQZYRDOKH-SFHVURJKSA-N 1 0 363.477 4.189 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N(C)C)c4ccccc43)CC2)o1 ZINC000096052703 570474583 /nfs/dbraw/zinc/47/45/83/570474583.db2.gz YQJLTXKAGTTXFV-SFHVURJKSA-N 1 0 366.505 4.087 40 0 FIABRO Cc1ccc(C[N@@H+]2CCC[C@@]23CCCN(C(=O)Nc2ccccc2)C3)o1 ZINC000096214628 570479460 /nfs/dbraw/zinc/47/94/60/570479460.db2.gz SYHLQYOCMFEGEF-OAQYLSRUSA-N 1 0 353.466 4.251 40 0 FIABRO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](Cc2ccccc2)C1 ZINC000096244646 570480062 /nfs/dbraw/zinc/48/00/62/570480062.db2.gz VSFCFNWRFZXQNB-XMMPIXPASA-N 1 0 371.484 4.126 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCCO)c4ccccc43)CC2)s1 ZINC000096241581 570480069 /nfs/dbraw/zinc/48/00/69/570480069.db2.gz FZWSWCBRKXHXIM-HXUWFJFHSA-N 1 0 357.519 4.044 40 0 FIABRO Fc1ccc(OCc2cc([C@H]3CC[N@H+](Cc4ccccc4)C3)n[nH]2)cc1 ZINC000585260857 570480898 /nfs/dbraw/zinc/48/08/98/570480898.db2.gz OZLZAPAXGHNKEH-KRWDZBQOSA-N 1 0 351.425 4.117 40 0 FIABRO O=C(CCc1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007941333 570675350 /nfs/dbraw/zinc/67/53/50/570675350.db2.gz MRYUQZFSSRIHBV-UHFFFAOYSA-N 1 0 354.469 4.061 40 0 FIABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1OC ZINC000012088982 570717668 /nfs/dbraw/zinc/71/76/68/570717668.db2.gz FYHHTUHNZUTAER-GPHNJDIKSA-N 1 0 352.478 4.161 40 0 FIABRO FC(F)(F)c1cc([C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129181 570720594 /nfs/dbraw/zinc/72/05/94/570720594.db2.gz NPLHQBRWLOOSMN-DLBZAZTESA-N 1 0 372.394 4.207 40 0 FIABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000012239767 570730557 /nfs/dbraw/zinc/73/05/57/570730557.db2.gz IKOCHHCVEWMIMI-SFHVURJKSA-N 1 0 371.550 4.042 40 0 FIABRO CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000009062720 570797296 /nfs/dbraw/zinc/79/72/96/570797296.db2.gz ZXBBBOQDIFHMKI-UHFFFAOYSA-N 1 0 356.441 4.075 40 0 FIABRO Cc1ccc(C)c([C@@H](O)C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000019132019 570880968 /nfs/dbraw/zinc/88/09/68/570880968.db2.gz RDWLYBXDYPMSQY-FQEVSTJZSA-N 1 0 368.452 4.497 40 0 FIABRO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(O)(c2cccc(C)c2)CC1 ZINC000019234507 570883114 /nfs/dbraw/zinc/88/31/14/570883114.db2.gz HLHXPQMOHIWQGV-UHFFFAOYSA-N 1 0 352.453 4.407 40 0 FIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccccc1C ZINC000019237140 570883490 /nfs/dbraw/zinc/88/34/90/570883490.db2.gz XHZXCCGQPJZUML-UHFFFAOYSA-N 1 0 358.551 4.089 40 0 FIABRO FC(F)c1cc([C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2c2ccccc2)[nH]n1 ZINC000019373744 570888018 /nfs/dbraw/zinc/88/80/18/570888018.db2.gz XAXWMQYNDOUGFU-DLBZAZTESA-N 1 0 354.404 4.126 40 0 FIABRO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019499206 570890769 /nfs/dbraw/zinc/89/07/69/570890769.db2.gz COCDWLASLFUSME-VAMGGRTRSA-N 1 0 372.509 4.114 40 0 FIABRO CCc1[nH]c2ccc(C(=O)N3CCC[C@@H](C[NH+](CC)CC)C3)cc2c1C ZINC000019521348 570891232 /nfs/dbraw/zinc/89/12/32/570891232.db2.gz LLPCWCKIROKPHE-KRWDZBQOSA-N 1 0 355.526 4.233 40 0 FIABRO CCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(OC)cc3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000019523475 570891271 /nfs/dbraw/zinc/89/12/71/570891271.db2.gz NNYLJVOJAMVVOP-WAGURGNTSA-N 1 0 351.494 4.110 40 0 FIABRO CC[N@H+](Cc1ccccc1)C1CCN(Cc2cnc(C(C)C)nc2)CC1 ZINC000019526649 570892054 /nfs/dbraw/zinc/89/20/54/570892054.db2.gz RHKJYDWOUQKJKG-UHFFFAOYSA-N 1 0 352.526 4.087 40 0 FIABRO COc1ccc(C[NH+]2CCC(n3c4cc(Cl)ccc4oc3=O)CC2)cc1 ZINC000019555057 570892818 /nfs/dbraw/zinc/89/28/18/570892818.db2.gz JYHTXBXFQYFOQF-UHFFFAOYSA-N 1 0 372.852 4.094 40 0 FIABRO COc1cccc(C[NH+]2CCC(n3c4cc(Cl)ccc4oc3=O)CC2)c1 ZINC000019564976 570894260 /nfs/dbraw/zinc/89/42/60/570894260.db2.gz CQGNTYFNESCIAZ-UHFFFAOYSA-N 1 0 372.852 4.094 40 0 FIABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC1CCCCC1 ZINC000019589208 570895033 /nfs/dbraw/zinc/89/50/33/570895033.db2.gz DNOIGRAXKKSHGN-KCZVDYSFSA-N 1 0 358.501 4.185 40 0 FIABRO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(C)nc3c(C)cccn23)cc1OC ZINC000019658982 570896921 /nfs/dbraw/zinc/89/69/21/570896921.db2.gz FAVGLHLLQACRIO-GOSISDBHSA-N 1 0 365.477 4.305 40 0 FIABRO CCCn1nc(C)c(-c2cncn2[C@H](CC[NH+](C)C)c2ccccc2)c1C ZINC000019654622 570896973 /nfs/dbraw/zinc/89/69/73/570896973.db2.gz LYJJZFACRXFYJO-HXUWFJFHSA-N 1 0 365.525 4.315 40 0 FIABRO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000019659003 570897292 /nfs/dbraw/zinc/89/72/92/570897292.db2.gz IOOQUEHIILYDRO-MRXNPFEDSA-N 1 0 354.885 4.305 40 0 FIABRO Cc1c(C[NH+]2CCC(c3ccc(Cc4ccccc4)cn3)CC2)cnn1C ZINC000019690495 570898507 /nfs/dbraw/zinc/89/85/07/570898507.db2.gz SAPOXCVTSGLVPG-UHFFFAOYSA-N 1 0 360.505 4.094 40 0 FIABRO CN(C)CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022075510 570939348 /nfs/dbraw/zinc/93/93/48/570939348.db2.gz PLHBBWBFRNXPPO-UHFFFAOYSA-N 1 0 353.293 4.224 40 0 FIABRO C[C@@H]([NH2+]CCN(C)C)[C@@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000022586825 570946758 /nfs/dbraw/zinc/94/67/58/570946758.db2.gz OQLPSYJNZRYLOQ-LNIKZYEWSA-N 1 0 370.581 4.404 40 0 in-vitro FIABRO Cc1cccc(CSCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224635757 570995575 /nfs/dbraw/zinc/99/55/75/570995575.db2.gz PLZAGFYKAUIHIB-UHFFFAOYSA-N 1 0 368.546 4.140 40 0 FIABRO Cc1cccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224670559 570996611 /nfs/dbraw/zinc/99/66/11/570996611.db2.gz FNKUOOHRWCDJNC-LJQANCHMSA-N 1 0 366.505 4.065 40 0 FIABRO O=C(Cc1ccc(Cl)cc1F)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224851058 571002675 /nfs/dbraw/zinc/00/26/75/571002675.db2.gz UHRBUOPNWMUIHS-UHFFFAOYSA-N 1 0 374.887 4.324 40 0 FIABRO O=C(CSc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000027021377 571009682 /nfs/dbraw/zinc/00/96/82/571009682.db2.gz NGAIJRNSDOTAGK-UHFFFAOYSA-N 1 0 374.937 4.344 40 0 FIABRO Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039767346 571023574 /nfs/dbraw/zinc/02/35/74/571023574.db2.gz ODUAJRYYMIDNKT-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000225453873 571036449 /nfs/dbraw/zinc/03/64/49/571036449.db2.gz OFLDMKVEOKGHNJ-WIYYLYMNSA-N 1 0 372.553 4.104 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)c(Cl)c1 ZINC000225581643 571047001 /nfs/dbraw/zinc/04/70/01/571047001.db2.gz RWZGWUBTTZHENM-OAHLLOKOSA-N 1 0 369.962 4.290 40 0 FIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225650433 571052676 /nfs/dbraw/zinc/05/26/76/571052676.db2.gz DOWNRSPLJKBICN-UWJYYQICSA-N 1 0 362.514 4.084 40 0 FIABRO O=C(Nc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030938344 571052957 /nfs/dbraw/zinc/05/29/57/571052957.db2.gz OMUZMDCJOALRNY-AWEZNQCLSA-N 1 0 364.823 4.469 40 0 FIABRO CCCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462498 571057774 /nfs/dbraw/zinc/05/77/74/571057774.db2.gz YOVQGYPXLMVOOG-UHFFFAOYSA-N 1 0 352.478 4.001 40 0 FIABRO CC(C)Oc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225730590 571060038 /nfs/dbraw/zinc/06/00/38/571060038.db2.gz GHQZITJQIQSHEA-IAGOWNOFSA-N 1 0 363.571 4.128 40 0 FIABRO Cc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000225727942 571060039 /nfs/dbraw/zinc/06/00/39/571060039.db2.gz HNCNYFWDKYSEIK-ZIAGYGMSSA-N 1 0 353.963 4.303 40 0 FIABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 ZINC000225735842 571060774 /nfs/dbraw/zinc/06/07/74/571060774.db2.gz YBUGYAVYSHTHBT-ZDUSSCGKSA-N 1 0 359.461 4.114 40 0 FIABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000225736691 571060801 /nfs/dbraw/zinc/06/08/01/571060801.db2.gz VCYVZZKSXAITJA-CYBMUJFWSA-N 1 0 359.461 4.114 40 0 FIABRO CC(C)c1ccc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000033583093 571066133 /nfs/dbraw/zinc/06/61/33/571066133.db2.gz TZFFAXYDYJUKNB-UHFFFAOYSA-N 1 0 365.521 4.133 40 0 FIABRO S=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000033704760 571066474 /nfs/dbraw/zinc/06/64/74/571066474.db2.gz KVDDNZXYTULNOJ-UYWIDEMCSA-N 1 0 367.562 4.278 40 0 FIABRO COc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000035288579 571075743 /nfs/dbraw/zinc/07/57/43/571075743.db2.gz OAZFBDGMELALPH-IHWFROFDSA-N 1 0 365.477 4.012 40 0 FIABRO Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CC[NH2+]CC2)n1 ZINC000143111605 571109965 /nfs/dbraw/zinc/10/99/65/571109965.db2.gz LSYSDOHDXKUJAP-UHFFFAOYSA-N 1 0 351.479 4.119 40 0 FIABRO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000180966677 571149743 /nfs/dbraw/zinc/14/97/43/571149743.db2.gz DKCNABNCFACOBG-HOTGVXAUSA-N 1 0 365.481 4.086 40 0 FIABRO Cc1c(C)n(CCC(=O)N2CC[C@]3(C)[NH2+]CCCCC[C@H]23)c2ccccc12 ZINC000257207186 571149851 /nfs/dbraw/zinc/14/98/51/571149851.db2.gz BGRXWPPIAKGRFE-GMAHTHKFSA-N 1 0 367.537 4.171 40 0 FIABRO O=C1O[C@]2(CN1Cc1ccccc1)CCC[N@@H+](Cc1ccccc1F)CC2 ZINC000257265497 571155906 /nfs/dbraw/zinc/15/59/06/571155906.db2.gz LYWPLRZKZIRLIW-JOCHJYFZSA-N 1 0 368.452 4.203 40 0 FIABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4cccc(F)c4F)C3)n2)cc1 ZINC000257268353 571156423 /nfs/dbraw/zinc/15/64/23/571156423.db2.gz MLISXTHSKLQLPC-HNNXBMFYSA-N 1 0 371.387 4.013 40 0 FIABRO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)n1 ZINC000257288720 571158404 /nfs/dbraw/zinc/15/84/04/571158404.db2.gz PVHNBEZMTCBAOU-KRWDZBQOSA-N 1 0 365.456 4.002 40 0 FIABRO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)C(C)C)C3)c2)n1 ZINC000257297758 571159306 /nfs/dbraw/zinc/15/93/06/571159306.db2.gz RISAPNFLRXDUMZ-HNNXBMFYSA-N 1 0 358.511 4.261 40 0 FIABRO C[C@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@H+](CC2CCOCC2)C1 ZINC000257306368 571160162 /nfs/dbraw/zinc/16/01/62/571160162.db2.gz SUAMYRHYRBTCDJ-QFIPXVFZSA-N 1 0 372.484 4.185 40 0 FIABRO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ccc(-c3ccc(F)cc3)nc2)cn1 ZINC000257309617 571160395 /nfs/dbraw/zinc/16/03/95/571160395.db2.gz UBQNZCQZFLXWCF-NRFANRHFSA-N 1 0 350.441 4.348 40 0 FIABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cn1 ZINC000257337593 571162855 /nfs/dbraw/zinc/16/28/55/571162855.db2.gz YTKVDLUFUIXLGS-CZAYHTPWSA-N 1 0 364.489 4.282 40 0 FIABRO Cc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072349972 571181438 /nfs/dbraw/zinc/18/14/38/571181438.db2.gz VCBQYTBLPPVWGT-OAQYLSRUSA-N 1 0 360.505 4.094 40 0 FIABRO Fc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072350095 571181715 /nfs/dbraw/zinc/18/17/15/571181715.db2.gz STDCJOZGFPKCJO-SFHVURJKSA-N 1 0 354.469 4.170 40 0 FIABRO Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072374830 571185434 /nfs/dbraw/zinc/18/54/34/571185434.db2.gz COHPJNOMIPHOJL-FQEVSTJZSA-N 1 0 373.504 4.346 40 0 FIABRO c1ccc(CC[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000072375936 571185696 /nfs/dbraw/zinc/18/56/96/571185696.db2.gz PXOYXFBPHYHAMA-LJQANCHMSA-N 1 0 359.477 4.037 40 0 FIABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072376771 571186250 /nfs/dbraw/zinc/18/62/50/571186250.db2.gz MQHWPEWUECQJTB-OAQYLSRUSA-N 1 0 374.488 4.462 40 0 FIABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390084 571189583 /nfs/dbraw/zinc/18/95/83/571189583.db2.gz XZLYCPOVDSDBCS-OAHLLOKOSA-N 1 0 355.463 4.186 40 0 FIABRO Cc1cc(N)c2cc(NC(=O)c3ccc(Br)cc3)ccc2[nH+]1 ZINC000072414094 571192389 /nfs/dbraw/zinc/19/23/89/571192389.db2.gz ZQASVQVHGUJUIW-UHFFFAOYSA-N 1 0 356.223 4.140 40 0 FIABRO Cc1ccc(C[N@H+]2CC=CC[C@H](C(=O)NCc3ccc(F)cc3)[C@H]2C)cc1 ZINC000057776461 571195014 /nfs/dbraw/zinc/19/50/14/571195014.db2.gz UYOIVBFPBGEUNS-GCJKJVERSA-N 1 0 366.480 4.217 40 0 FIABRO c1csc(CN2CCO[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)CC3)c1 ZINC000306123117 571212745 /nfs/dbraw/zinc/21/27/45/571212745.db2.gz AEXCURUVLIIXPW-QFIPXVFZSA-N 1 0 370.562 4.048 40 0 FIABRO c1coc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)c1 ZINC000306128541 571213399 /nfs/dbraw/zinc/21/33/99/571213399.db2.gz HDDLVMDHMMUDTP-INIZCTEOSA-N 1 0 364.474 4.430 40 0 FIABRO Cc1cc(Nc2ncccn2)cc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000585176603 571237941 /nfs/dbraw/zinc/23/79/41/571237941.db2.gz QHKZROBZWHRQAU-SFHVURJKSA-N 1 0 363.509 4.459 40 0 FIABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000585182578 571238225 /nfs/dbraw/zinc/23/82/25/571238225.db2.gz YDPXJHBKIJJNOK-SFHVURJKSA-N 1 0 372.476 4.036 40 0 FIABRO [NH3+]Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000228979533 571278330 /nfs/dbraw/zinc/27/83/30/571278330.db2.gz DQCIJWXOHAWKTO-UHFFFAOYSA-N 1 0 362.273 4.435 40 0 FIABRO CC[N@H+](C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)CC(C)C)CC2)C1 ZINC000019712748 571304644 /nfs/dbraw/zinc/30/46/44/571304644.db2.gz SLANAOXEKTZIOX-SFTDATJTSA-N 1 0 372.553 4.266 40 0 FIABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000028220915 571305322 /nfs/dbraw/zinc/30/53/22/571305322.db2.gz HLSOLTMMQBGQND-LPHOPBHVSA-N 1 0 356.897 4.429 40 0 FIABRO COc1ccc2c(c1)cc([C@H]1CCC[NH2+]C1)nc2Nc1ncc(C)s1 ZINC000257225596 571321756 /nfs/dbraw/zinc/32/17/56/571321756.db2.gz FGXREQHZAXQAOH-ZDUSSCGKSA-N 1 0 354.479 4.219 40 0 FIABRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1 ZINC000019688753 571327171 /nfs/dbraw/zinc/32/71/71/571327171.db2.gz BSALDQHLMFBGTJ-NRFANRHFSA-N 1 0 358.489 4.414 40 0 FIABRO COc1ccccc1C[C@@H](C)NC(=O)CC1CC[NH+](C2CCCCC2)CC1 ZINC000019748218 571327216 /nfs/dbraw/zinc/32/72/16/571327216.db2.gz BQJLFZMDRHOTEX-GOSISDBHSA-N 1 0 372.553 4.177 40 0 FIABRO Fc1ccccc1Cc1cnc([C@H]2CCC[N@H+](Cc3cncs3)C2)o1 ZINC000257246241 1093881767 /nfs/dbraw/zinc/88/17/67/1093881767.db2.gz ITFZQXDPOCPHNB-HNNXBMFYSA-N 1 0 357.454 4.241 40 0 FIABRO CC(=O)O[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001701276 204017462 /nfs/dbraw/zinc/01/74/62/204017462.db2.gz AHLVYOADQOSJBO-UNMCSNQZSA-N 1 0 351.446 4.028 40 0 FIABRO CCC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000001999479 204023770 /nfs/dbraw/zinc/02/37/70/204023770.db2.gz VDKMYSMWQCFYBQ-LJQANCHMSA-N 1 0 369.505 4.020 40 0 in-man FIABRO CCCC[NH+](CCCC)CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000004792390 204164796 /nfs/dbraw/zinc/16/47/96/204164796.db2.gz ZIGXMCZPXIMBRI-UHFFFAOYSA-N 1 0 362.514 4.340 40 0 FIABRO CC[C@@H](C)[N@H+](CC(C)C)C[C@](C)(O)CNc1cc(OC)cc2cccnc21 ZINC000004522426 204143826 /nfs/dbraw/zinc/14/38/26/204143826.db2.gz MBVJHPHECDEUPH-VGOFRKELSA-N 1 0 373.541 4.163 40 0 FIABRO CC[NH+](CC)CCOC(=O)[C@@](O)(C1CCCCC1)C1CCC(C)CC1 ZINC000006382248 204247365 /nfs/dbraw/zinc/24/73/65/204247365.db2.gz UGBFKDFUCIJCEJ-CNBHCMJISA-N 1 0 353.547 4.009 40 0 FIABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OC ZINC000008534228 204333804 /nfs/dbraw/zinc/33/38/04/204333804.db2.gz BYWQEZSARHEXQS-LBPRGKRZSA-N 1 0 350.256 4.317 40 0 FIABRO CCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cn1 ZINC000019523474 204686671 /nfs/dbraw/zinc/68/66/71/204686671.db2.gz NNYLJVOJAMVVOP-WKDRNLAYSA-N 1 0 351.494 4.110 40 0 FIABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1c(C)n(C)nc1-c1ccccc1 ZINC000019719400 204704409 /nfs/dbraw/zinc/70/44/09/204704409.db2.gz XJDVFMNJLJFPCF-IBGZPJMESA-N 1 0 363.509 4.306 40 0 FIABRO CCc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000022407606 204778280 /nfs/dbraw/zinc/77/82/80/204778280.db2.gz LDKHNWVHNNAOGL-OAQYLSRUSA-N 1 0 355.889 4.163 40 0 FIABRO CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CCC3)C2(C)C)no1)Cc1ccccc1 ZINC000067889951 205029833 /nfs/dbraw/zinc/02/98/33/205029833.db2.gz LIQRZSQRQFAQQY-GCJKJVERSA-N 1 0 367.537 4.406 40 0 biogenic,in-vitro FIABRO CC(C)(C)SCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038852170 205042865 /nfs/dbraw/zinc/04/28/65/205042865.db2.gz SILAZCKKSKLMSZ-MRXNPFEDSA-N 1 0 368.974 4.200 40 0 FIABRO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038834353 205042989 /nfs/dbraw/zinc/04/29/89/205042989.db2.gz MIKSYOYJGICRDN-KRWDZBQOSA-N 1 0 356.441 4.075 40 0 FIABRO COc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044907115 205114341 /nfs/dbraw/zinc/11/43/41/205114341.db2.gz CGNGFGIMFTZUNK-UHFFFAOYSA-N 1 0 366.505 4.044 40 0 FIABRO CCOc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044911254 205114793 /nfs/dbraw/zinc/11/47/93/205114793.db2.gz OFUKIYFVLJPRAF-KRWDZBQOSA-N 1 0 356.441 4.075 40 0 FIABRO COc1cccc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)s2)c1 ZINC000043277872 205103096 /nfs/dbraw/zinc/10/30/96/205103096.db2.gz KCFPWQKKMDGDMJ-UHFFFAOYSA-N 1 0 355.507 4.354 40 0 FIABRO Fc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752090 206023948 /nfs/dbraw/zinc/02/39/48/206023948.db2.gz YINWRGIHERSHJW-VXKWHMMOSA-N 1 0 361.501 4.404 40 0 FIABRO O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1cccs1)CC2 ZINC000109753938 206063131 /nfs/dbraw/zinc/06/31/31/206063131.db2.gz UYCQHFXFAWPNCW-UHFFFAOYSA-N 1 0 352.503 4.039 40 0 FIABRO C[NH+](C)CCCNc1nc(NCc2ccccc2)cc(-c2ccccc2)n1 ZINC000243052581 206118039 /nfs/dbraw/zinc/11/80/39/206118039.db2.gz IFTUMIJXQOEXGY-UHFFFAOYSA-N 1 0 361.493 4.119 40 0 FIABRO CC(C)[NH2+]C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000226069639 206120612 /nfs/dbraw/zinc/12/06/12/206120612.db2.gz XBTGYBNJJAPLRR-LJQANCHMSA-N 1 0 365.558 4.155 40 0 FIABRO Cc1ccccc1CNc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000244186749 206120645 /nfs/dbraw/zinc/12/06/45/206120645.db2.gz VMIBDOQAABIDNA-UHFFFAOYSA-N 1 0 361.493 4.038 40 0 FIABRO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2)C1 ZINC000004237296 206171919 /nfs/dbraw/zinc/17/19/19/206171919.db2.gz TUJYTNVOKDXXAL-ZWKOTPCHSA-N 1 0 362.498 4.196 40 0 biogenic,in-vitro FIABRO CCOc1cc(C[NH2+]C)cc(Br)c1OCc1ccccc1F ZINC000008254126 206246587 /nfs/dbraw/zinc/24/65/87/206246587.db2.gz KYHGXYPYWHIUNM-UHFFFAOYSA-N 1 0 368.246 4.285 40 0 FIABRO O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000020503545 206336666 /nfs/dbraw/zinc/33/66/66/206336666.db2.gz MVSRCHDCCALPAW-FUHWJXTLSA-N 1 0 362.498 4.196 40 0 biogenic,in-vitro FIABRO COc1ccc2c(c1)N[C@]1(CCC[N@H+](Cc3ccccc3)C1)c1cccn1-2 ZINC000057773412 206390862 /nfs/dbraw/zinc/39/08/62/206390862.db2.gz JVHDFVZYOBSZHG-QHCPKHFHSA-N 1 0 359.473 4.403 40 0 FIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc2ncccc2c1 ZINC000022931763 206394896 /nfs/dbraw/zinc/39/48/96/206394896.db2.gz DRYBZIRPPHXNKA-JOCHJYFZSA-N 1 0 360.505 4.116 40 0 FIABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1)c1ccccc1Cl ZINC000027698636 206456478 /nfs/dbraw/zinc/45/64/78/206456478.db2.gz XOABQLMJIGLEIT-YQQQUEKLSA-N 1 0 368.908 4.308 40 0 FIABRO Clc1nc2ccccc2c(N2CCCCC2)c1C[NH2+]C[C@@H]1CCCO1 ZINC000005017404 132256076 /nfs/dbraw/zinc/25/60/76/132256076.db2.gz KOELIPIJQZKMQZ-HNNXBMFYSA-N 1 0 359.901 4.147 40 0 FIABRO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039750558 263399616 /nfs/dbraw/zinc/39/96/16/263399616.db2.gz ASGHTNIWFSAYEO-UHFFFAOYSA-N 1 0 368.974 4.200 40 0 FIABRO O=C(CSCc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030551665 518198805 /nfs/dbraw/zinc/19/88/05/518198805.db2.gz INFOAJWTQXKPNE-UHFFFAOYSA-N 1 0 368.546 4.222 40 0 FIABRO CC(C)Oc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000020039064 519779665 /nfs/dbraw/zinc/77/96/65/519779665.db2.gz SYLPHTLETMAWBK-UHFFFAOYSA-N 1 0 366.505 4.390 40 0 FIABRO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000223191644 568624119 /nfs/dbraw/zinc/62/41/19/568624119.db2.gz CLQUZNHKDGTLGM-SFHVURJKSA-N 1 0 366.505 4.093 40 0 FIABRO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000223455113 568657073 /nfs/dbraw/zinc/65/70/73/568657073.db2.gz DXDRJCQLGRQKAO-UHFFFAOYSA-N 1 0 362.395 4.231 40 0 FIABRO O=C(Nc1ccccc1)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096046627 570473119 /nfs/dbraw/zinc/47/31/19/570473119.db2.gz LUAZABKBUQQEAG-UHFFFAOYSA-N 1 0 367.468 4.346 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)o1 ZINC000096047296 570473561 /nfs/dbraw/zinc/47/35/61/570473561.db2.gz ANOBNEDIBBNVBX-UHFFFAOYSA-N 1 0 358.507 4.168 40 0 FIABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccc(F)cc2)CC3)c1 ZINC000096049438 570474318 /nfs/dbraw/zinc/47/43/18/570474318.db2.gz OFHJNTONCDYAIE-UHFFFAOYSA-N 1 0 366.480 4.291 40 0 FIABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)s1 ZINC000096051131 570474370 /nfs/dbraw/zinc/47/43/70/570474370.db2.gz AXSBCMQZYRDOKH-GOSISDBHSA-N 1 0 363.477 4.189 40 0 FIABRO COc1cccc(N[C@@H]2COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)c1 ZINC000096221410 570479393 /nfs/dbraw/zinc/47/93/93/570479393.db2.gz JZLPMCQDUSRRMU-FQEVSTJZSA-N 1 0 370.468 4.070 40 0 FIABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000585290313 570495962 /nfs/dbraw/zinc/49/59/62/570495962.db2.gz UWDRDQCOLXXYEW-PWRODBHTSA-N 1 0 359.897 4.223 40 0 FIABRO COC(=O)c1ccccc1NC(=O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000408581494 570563702 /nfs/dbraw/zinc/56/37/02/570563702.db2.gz IOJVEJHBIAHAJL-UHFFFAOYSA-N 1 0 372.509 4.379 40 0 FIABRO CCn1cncc1CN(Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116751 570719694 /nfs/dbraw/zinc/71/96/94/570719694.db2.gz LFZDXMJGTZXRMM-UHFFFAOYSA-N 1 0 354.542 4.214 40 0 FIABRO COc1ccc2[nH]cc([C@@H]3CC[N@H+](Cc4cccc(OC)c4OC)C3)c2c1 ZINC000012329473 570737371 /nfs/dbraw/zinc/73/73/71/570737371.db2.gz BAJQQEPHDNRXPY-OAHLLOKOSA-N 1 0 366.461 4.183 40 0 FIABRO O=C1CCCN1CC[C@H]1CCCC[N@H+]1CC1(c2ccc(Cl)cc2)CC1 ZINC000012364608 570739244 /nfs/dbraw/zinc/73/92/44/570739244.db2.gz WWFFRYGFAUPCII-LJQANCHMSA-N 1 0 360.929 4.239 40 0 FIABRO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063530 570797709 /nfs/dbraw/zinc/79/77/09/570797709.db2.gz KAZNKSKHJPYZMK-UHFFFAOYSA-N 1 0 358.482 4.398 40 0 FIABRO COc1cc2cc(C3CC[NH+](Cc4cnc(C)nc4)CC3)ncc2cc1C ZINC000019127191 570880912 /nfs/dbraw/zinc/88/09/12/570880912.db2.gz JHOWCRWUTUGFPJ-UHFFFAOYSA-N 1 0 362.477 4.030 40 0 FIABRO COc1nc2cc(C)ccc2cc1CN(CC[NH+](C)C)Cc1cccs1 ZINC000019234258 570882995 /nfs/dbraw/zinc/88/29/95/570882995.db2.gz MMPWRXWEWDMWNW-UHFFFAOYSA-N 1 0 369.534 4.177 40 0 FIABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2C)cc1OC ZINC000019239550 570883495 /nfs/dbraw/zinc/88/34/95/570883495.db2.gz QXFAHLQQSDYZIG-YDLSIGKMSA-N 1 0 366.505 4.469 40 0 FIABRO OC1(c2cccnc2F)CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000019293176 570885243 /nfs/dbraw/zinc/88/52/43/570885243.db2.gz FXCAPWGOQAJOHU-UHFFFAOYSA-N 1 0 370.399 4.103 40 0 FIABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](CC4CCCCC4)C3)no2)CC1 ZINC000019496731 570890249 /nfs/dbraw/zinc/89/02/49/570890249.db2.gz ZCEOIXMIMJEFNX-IBGZPJMESA-N 1 0 373.541 4.306 40 0 FIABRO CCCOc1c(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cccc1OC ZINC000019503810 570891172 /nfs/dbraw/zinc/89/11/72/570891172.db2.gz NHDPYESVVFYWTQ-QFBILLFUSA-N 1 0 358.482 4.281 40 0 FIABRO O=C(NCC1(c2ccccc2Cl)CC1)c1ccccc1C[NH+]1CCCC1 ZINC000019662426 570897814 /nfs/dbraw/zinc/89/78/14/570897814.db2.gz NCZLBUQVROPPJN-UHFFFAOYSA-N 1 0 368.908 4.397 40 0 FIABRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2cnn3cccnc23)C1 ZINC000019715809 570899835 /nfs/dbraw/zinc/89/98/35/570899835.db2.gz ZUUPJHVDKFAVMI-QGZVFWFLSA-N 1 0 374.492 4.040 40 0 FIABRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2cnn3cccnc23)C1 ZINC000019715810 570899981 /nfs/dbraw/zinc/89/99/81/570899981.db2.gz ZUUPJHVDKFAVMI-KRWDZBQOSA-N 1 0 374.492 4.040 40 0 FIABRO Cc1nc([C@H]2CCCC[N@@H+]2C2CCCCC2)ncc1C(=O)N1CCCCC1 ZINC000019765738 570902281 /nfs/dbraw/zinc/90/22/81/570902281.db2.gz OHYQRKXRAWIOEZ-HXUWFJFHSA-N 1 0 370.541 4.271 40 0 FIABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000020111522 570910522 /nfs/dbraw/zinc/91/05/22/570910522.db2.gz LEGAEWXAMNPJLJ-UHFFFAOYSA-N 1 0 368.477 4.188 40 0 FIABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(OC)c1 ZINC000022514283 570944951 /nfs/dbraw/zinc/94/49/51/570944951.db2.gz VULKLXDLMQKQGN-UHFFFAOYSA-N 1 0 368.477 4.188 40 0 FIABRO CC[C@H](Oc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024181819 570972480 /nfs/dbraw/zinc/97/24/80/570972480.db2.gz INHJMDGTUMVBGO-QFIPXVFZSA-N 1 0 366.505 4.146 40 0 FIABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024389977 570975211 /nfs/dbraw/zinc/97/52/11/570975211.db2.gz LYPRIOUOZUGGLN-MRXNPFEDSA-N 1 0 372.896 4.020 40 0 FIABRO Cc1cc(C)cc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000224078959 570976281 /nfs/dbraw/zinc/97/62/81/570976281.db2.gz YARDZDNMPNYOPN-UHFFFAOYSA-N 1 0 366.505 4.098 40 0 FIABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000224147496 570978722 /nfs/dbraw/zinc/97/87/22/570978722.db2.gz XJHTXRIHEDEVGB-UHFFFAOYSA-N 1 0 372.896 4.053 40 0 FIABRO Cc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000224699339 570997771 /nfs/dbraw/zinc/99/77/71/570997771.db2.gz DCFMZKVMZQOGHA-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000224854074 571002803 /nfs/dbraw/zinc/00/28/03/571002803.db2.gz AOAZZWXGSFMGNG-UHFFFAOYSA-N 1 0 362.517 4.481 40 0 FIABRO Cc1ccc2[nH+]c(C)cc(NCCNC(=S)Nc3ccccc3)c2c1 ZINC000225232102 571022889 /nfs/dbraw/zinc/02/28/89/571022889.db2.gz OSHOCYKIAWGMNY-UHFFFAOYSA-N 1 0 350.491 4.250 40 0 FIABRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039757681 571026125 /nfs/dbraw/zinc/02/61/25/571026125.db2.gz MJZCLCJTESEZJF-UHFFFAOYSA-N 1 0 373.294 4.300 40 0 FIABRO Cc1cccc(C[N@@H+]2CCC[C@]3(CN(Cc4cccs4)CCO3)CC2)c1 ZINC000306137749 571040315 /nfs/dbraw/zinc/04/03/15/571040315.db2.gz REZYCWRPAQXHKK-JOCHJYFZSA-N 1 0 370.562 4.314 40 0 FIABRO c1ccc(CNc2ccc3nc([C@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)cc1 ZINC000306136546 571040444 /nfs/dbraw/zinc/04/04/44/571040444.db2.gz PWIKDUWJYCDKQN-SFHVURJKSA-N 1 0 361.493 4.073 40 0 FIABRO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH+](Cc2ccncc2)CC1 ZINC000306139386 571041603 /nfs/dbraw/zinc/04/16/03/571041603.db2.gz SVWFEAZZHDZKQX-UHFFFAOYSA-N 1 0 374.488 4.410 40 0 FIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 ZINC000225607133 571049208 /nfs/dbraw/zinc/04/92/08/571049208.db2.gz WWMRVJYLOTWWGA-OAQYLSRUSA-N 1 0 364.530 4.187 40 0 FIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225611716 571049599 /nfs/dbraw/zinc/04/95/99/571049599.db2.gz BPZQTGVORGXKEH-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225618459 571050231 /nfs/dbraw/zinc/05/02/31/571050231.db2.gz ZGAMDFUJBBDHKQ-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCC1 ZINC000225628376 571050726 /nfs/dbraw/zinc/05/07/26/571050726.db2.gz UXVYNQSIMRHZOJ-GOSISDBHSA-N 1 0 374.525 4.085 40 0 FIABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCCC1 ZINC000225626411 571050733 /nfs/dbraw/zinc/05/07/33/571050733.db2.gz LJEHZVYUKCEAJX-UHFFFAOYSA-N 1 0 374.525 4.085 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000225642811 571052303 /nfs/dbraw/zinc/05/23/03/571052303.db2.gz KEMSSROHPFNYAC-UYAOXDASSA-N 1 0 372.553 4.104 40 0 FIABRO CCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225647899 571052641 /nfs/dbraw/zinc/05/26/41/571052641.db2.gz NHIWUDMYTQBDJY-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO CC(C)Oc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030940366 571052840 /nfs/dbraw/zinc/05/28/40/571052840.db2.gz ZROKDNQMXSSAEB-SFHVURJKSA-N 1 0 370.468 4.464 40 0 FIABRO COC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000030946542 571053197 /nfs/dbraw/zinc/05/31/97/571053197.db2.gz YPAYAYOKUDKWJJ-UHFFFAOYSA-N 1 0 366.461 4.102 40 0 FIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225692567 571056187 /nfs/dbraw/zinc/05/61/87/571056187.db2.gz RPSYOHMVDBTJSF-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCCC1 ZINC000225706979 571057632 /nfs/dbraw/zinc/05/76/32/571057632.db2.gz YSZSXPDIMYPHIZ-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000225707059 571057651 /nfs/dbraw/zinc/05/76/51/571057651.db2.gz YLVVVZQJUPVWPA-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCCCCC1 ZINC000225711163 571058047 /nfs/dbraw/zinc/05/80/47/571058047.db2.gz CWQFGKGWSHYXBA-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC(C)CC1 ZINC000225720121 571059231 /nfs/dbraw/zinc/05/92/31/571059231.db2.gz ZFVNDYHFVHDTLT-UHFFFAOYSA-N 1 0 374.525 4.085 40 0 FIABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225723758 571059628 /nfs/dbraw/zinc/05/96/28/571059628.db2.gz JQDGUIXZZFHVJS-QFIPXVFZSA-N 1 0 374.525 4.085 40 0 FIABRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3c(C4CCC4)cnn3C)c2C1 ZINC000622795302 571145638 /nfs/dbraw/zinc/14/56/38/571145638.db2.gz JMVFJRHAUZHHET-UHFFFAOYSA-N 1 0 366.509 4.302 40 0 FIABRO CC[C@@H](C)[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575421030 571149598 /nfs/dbraw/zinc/14/95/98/571149598.db2.gz MAFLQVRDBZMBBE-XLIONFOSSA-N 1 0 357.519 4.064 40 0 FIABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4cncs4)[C@@H]3C[C@H]21 ZINC000257226310 571152127 /nfs/dbraw/zinc/15/21/27/571152127.db2.gz FKCOKYHSIRSBML-RWQQGDIJSA-N 1 0 356.491 4.035 40 0 FIABRO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3ccccc32)nc1 ZINC000257251594 571154525 /nfs/dbraw/zinc/15/45/25/571154525.db2.gz JRKLXFGOARQQOI-HSZRJFAPSA-N 1 0 359.473 4.208 40 0 FIABRO Cc1nccc(N2CC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n1 ZINC000257289517 571158670 /nfs/dbraw/zinc/15/86/70/571158670.db2.gz PYZBGAVNFDHPIM-OAHLLOKOSA-N 1 0 354.841 4.011 40 0 FIABRO COc1ccc(C[NH+](Cc2ccc(OC)cc2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000242463754 571174430 /nfs/dbraw/zinc/17/44/30/571174430.db2.gz DJGFPMDLJPTTTL-MXVIHJGJSA-N 1 0 355.478 4.010 40 0 FIABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072345888 571179784 /nfs/dbraw/zinc/17/97/84/571179784.db2.gz XJXGFDWMBDRXQO-SFHVURJKSA-N 1 0 362.452 4.245 40 0 FIABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000072349955 571181315 /nfs/dbraw/zinc/18/13/15/571181315.db2.gz NBJDWOUCJATGIC-GOSISDBHSA-N 1 0 350.441 4.001 40 0 FIABRO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072349997 571181356 /nfs/dbraw/zinc/18/13/56/571181356.db2.gz SMNOFWAMIPHRCY-QGZVFWFLSA-N 1 0 350.441 4.001 40 0 FIABRO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350101 571181793 /nfs/dbraw/zinc/18/17/93/571181793.db2.gz QDCSDYOJGGYACP-IBGZPJMESA-N 1 0 366.505 4.039 40 0 FIABRO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357718 571182588 /nfs/dbraw/zinc/18/25/88/571182588.db2.gz KIWRYKRQHBNUTP-JOCHJYFZSA-N 1 0 359.473 4.413 40 0 FIABRO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072357683 571182611 /nfs/dbraw/zinc/18/26/11/571182611.db2.gz CUIORXNRBQVEAD-QFIPXVFZSA-N 1 0 359.473 4.413 40 0 FIABRO CNc1ncccc1C[NH+]1CCC(c2cncc(-c3ccccc3C)n2)CC1 ZINC000072359808 571184106 /nfs/dbraw/zinc/18/41/06/571184106.db2.gz DNISCAQKVWPLOF-UHFFFAOYSA-N 1 0 373.504 4.268 40 0 FIABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379058 571187181 /nfs/dbraw/zinc/18/71/81/571187181.db2.gz NMOVLGNDHLNDOK-SFHVURJKSA-N 1 0 361.493 4.165 40 0 FIABRO COc1cc(C)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1C ZINC000072395189 571190607 /nfs/dbraw/zinc/19/06/07/571190607.db2.gz RVZNWAWLTKWWEA-LEWJYISDSA-N 1 0 361.489 4.418 40 0 FIABRO O=C1CC[C@@]2(CCC[N@H+](CCc3ccccc3)CC2)N1Cc1ccccc1 ZINC000585100327 571221352 /nfs/dbraw/zinc/22/13/52/571221352.db2.gz KFEGGRCSPVSPKG-XMMPIXPASA-N 1 0 362.517 4.276 40 0 FIABRO O=C1CC[C@]2(CCC[N@H+](CCc3ccccc3)CC2)N1Cc1ccccc1 ZINC000585100325 571221483 /nfs/dbraw/zinc/22/14/83/571221483.db2.gz KFEGGRCSPVSPKG-DEOSSOPVSA-N 1 0 362.517 4.276 40 0 FIABRO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC[C@@H]21 ZINC000585107997 571224940 /nfs/dbraw/zinc/22/49/40/571224940.db2.gz SSSRNBUZKPXCEU-AFYVEPGGSA-N 1 0 360.929 4.022 40 0 FIABRO O=C1N(Cc2ccc(F)cc2)CC=CCC12CC[NH+](C1CCCC1)CC2 ZINC000019744838 571304842 /nfs/dbraw/zinc/30/48/42/571304842.db2.gz IOLSCUOFKQMSTJ-UHFFFAOYSA-N 1 0 356.485 4.139 40 0 FIABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000020461046 571305143 /nfs/dbraw/zinc/30/51/43/571305143.db2.gz ONESPQPJKIGFOC-IEBWSBKVSA-N 1 0 366.933 4.268 40 0 FIABRO CCc1ccccc1Nc1cc(-c2cccnc2)nc(C2CC[NH2+]CC2)n1 ZINC000257287012 571321733 /nfs/dbraw/zinc/32/17/33/571321733.db2.gz POALBHAAQCMRAI-UHFFFAOYSA-N 1 0 359.477 4.312 40 0 FIABRO [NH3+]CCSc1cc(C(F)(F)F)nc2ccc(Br)cc21 ZINC000002525204 204043814 /nfs/dbraw/zinc/04/38/14/204043814.db2.gz ODRCXBVIZHXSQF-UHFFFAOYSA-N 1 0 351.191 4.067 40 0 FIABRO O=C(COc1ccc(Cl)cc1Cl)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005670687 204219825 /nfs/dbraw/zinc/21/98/25/204219825.db2.gz QSWYVTSVHDNZFA-CZUORRHYSA-N 1 0 372.292 4.180 40 0 biogenic,in-vitro FIABRO CCOc1ccc2c(ccc(/C=C/c3ccc(O)c4ncccc34)[n+]2C)c1 ZINC000004900202 204174746 /nfs/dbraw/zinc/17/47/46/204174746.db2.gz FCFDWEARFQCYEH-UHFFFAOYSA-O 1 0 357.433 4.487 40 0 FIABRO C[NH+](C)CCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000007771720 204306517 /nfs/dbraw/zinc/30/65/17/204306517.db2.gz ZAFJLQKYECQZBD-UHFFFAOYSA-N 1 0 362.926 4.314 40 0 FIABRO O=C(CSc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850478 204308538 /nfs/dbraw/zinc/30/85/38/204308538.db2.gz BVRWOXSVUFWGDV-UHFFFAOYSA-N 1 0 354.519 4.081 40 0 FIABRO CC[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000008325919 204326738 /nfs/dbraw/zinc/32/67/38/204326738.db2.gz CKTVLMBUWRAVIT-MRVPVSSYSA-N 1 0 351.082 4.108 40 0 FIABRO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCc1ccccc1 ZINC000008327038 204327999 /nfs/dbraw/zinc/32/79/99/204327999.db2.gz NCRQKIDEBDZCKR-QGZVFWFLSA-N 1 0 363.885 4.178 40 0 FIABRO C[N@@H+]1CCC[C@@H](CNC(=S)Nc2ccc(Nc3ccccc3)cc2)C1 ZINC000009876329 204384570 /nfs/dbraw/zinc/38/45/70/204384570.db2.gz NIXCRBRFYJQIAS-INIZCTEOSA-N 1 0 354.523 4.058 40 0 FIABRO Cc1cc(O[C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc(C)c1Cl ZINC000010111315 204390929 /nfs/dbraw/zinc/39/09/29/204390929.db2.gz VRPRECDNGSCJHY-KRWDZBQOSA-N 1 0 366.933 4.106 40 0 FIABRO OC1(c2cccnc2)CC[NH+](Cc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000012363648 204454916 /nfs/dbraw/zinc/45/49/16/204454916.db2.gz HVQINONOHLSNHO-UHFFFAOYSA-N 1 0 362.448 4.371 40 0 FIABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)c1 ZINC000019217853 204670424 /nfs/dbraw/zinc/67/04/24/204670424.db2.gz YSGQRHKLFNVSIN-UHFFFAOYSA-N 1 0 369.490 4.495 40 0 FIABRO Cc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)cs1 ZINC000019571946 204691582 /nfs/dbraw/zinc/69/15/82/204691582.db2.gz YLZGNBPJWIZOGR-ZCNNSNEGSA-N 1 0 372.509 4.336 40 0 FIABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1CCCCCC1 ZINC000038752969 205041753 /nfs/dbraw/zinc/04/17/53/205041753.db2.gz LHCIQUVPQXWPPH-NRFANRHFSA-N 1 0 368.521 4.380 40 0 FIABRO COc1cccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000036740490 205020993 /nfs/dbraw/zinc/02/09/93/205020993.db2.gz LVYMFKOJGQBVSU-UHFFFAOYSA-N 1 0 367.537 4.402 40 0 FIABRO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849373 205043209 /nfs/dbraw/zinc/04/32/09/205043209.db2.gz SHFKTSJJUPFLKY-MRXNPFEDSA-N 1 0 358.869 4.199 40 0 FIABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872888 205112415 /nfs/dbraw/zinc/11/24/15/205112415.db2.gz KPSMVVNAOAAVQA-JOCHJYFZSA-N 1 0 366.505 4.065 40 0 FIABRO O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1C[NH2+]C1CCCCC1 ZINC000055107078 205206711 /nfs/dbraw/zinc/20/67/11/205206711.db2.gz PKIZYYZUOWTCBY-XNTDXEJSSA-N 1 0 350.871 4.256 40 0 FIABRO c1cc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)co1 ZINC000096038316 205804788 /nfs/dbraw/zinc/80/47/88/205804788.db2.gz KRKVWGDKLZYOLD-UHFFFAOYSA-N 1 0 373.460 4.446 40 0 FIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053494 205810600 /nfs/dbraw/zinc/81/06/00/205810600.db2.gz RZAYFLGPQARTCC-LJQANCHMSA-N 1 0 370.537 4.056 40 0 FIABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 ZINC000143578551 206138006 /nfs/dbraw/zinc/13/80/06/206138006.db2.gz PMNHALBISBERPU-SFHVURJKSA-N 1 0 362.517 4.265 40 0 FIABRO CC[NH+](CC)CCCNc1cc(C)nc2cc(-c3cccc(C)c3)nn21 ZINC000004969560 206186701 /nfs/dbraw/zinc/18/67/01/206186701.db2.gz KRMIUEWCMRNQCF-UHFFFAOYSA-N 1 0 351.498 4.157 40 0 FIABRO CCOc1ccc(Cl)cc1C[NH2+]CCCSc1nc(C)cc(C)n1 ZINC000006678434 206204345 /nfs/dbraw/zinc/20/43/45/206204345.db2.gz PBPLMXZTKKHCIJ-UHFFFAOYSA-N 1 0 365.930 4.418 40 0 FIABRO COc1cc2c(cc1OC)[C@@H](C13C[C@H]4C[C@H](CC(Cl)(C4)C1)C3)[NH2+]CC2 ZINC000005720280 206198242 /nfs/dbraw/zinc/19/82/42/206198242.db2.gz HSDXWRHEZLIHTH-WUXPVOENSA-N 1 0 361.913 4.468 40 0 FIABRO O[C@H](COc1ccccc1Cl)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006495869 206244102 /nfs/dbraw/zinc/24/41/02/206244102.db2.gz TYLAYNRUPNUTDX-IBGZPJMESA-N 1 0 359.897 4.034 40 0 FIABRO COc1ccc(C[N@H+](CCc2ccccc2)Cc2ccncc2)c(OC)c1 ZINC000013989826 206308008 /nfs/dbraw/zinc/30/80/08/206308008.db2.gz OFTMJPGPQPLLQP-UHFFFAOYSA-N 1 0 362.473 4.344 40 0 FIABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623262 206461701 /nfs/dbraw/zinc/46/17/01/206461701.db2.gz OIQURZKAQKACAJ-MRXNPFEDSA-N 1 0 372.896 4.020 40 0 FIABRO Cc1ccc(N2CCC[C@@]3(CC[N@H+](Cc4ccc(Cl)c(F)c4)C3)C2)nn1 ZINC000096217072 132222556 /nfs/dbraw/zinc/22/25/56/132222556.db2.gz FAGRCVCRUZVKQK-FQEVSTJZSA-N 1 0 374.891 4.070 40 0 FIABRO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020495479 520997007 /nfs/dbraw/zinc/99/70/07/520997007.db2.gz OHDBWOFJARBATM-UHFFFAOYSA-N 1 0 366.505 4.247 40 0 FIABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000223093463 568609152 /nfs/dbraw/zinc/60/91/52/568609152.db2.gz UFTYUKRHGBVGRE-IBGZPJMESA-N 1 0 360.542 4.124 40 0 FIABRO O=c1c2ccccc2nc(SCC[NH+]2CCCCC2)n1C1CCCCC1 ZINC000000905594 570463581 /nfs/dbraw/zinc/46/35/81/570463581.db2.gz QZWYMTILVSONOC-UHFFFAOYSA-N 1 0 371.550 4.480 40 0 FIABRO CCOC(=O)c1ccc2[nH]c(C)c(C[NH+](CC(C)C)CC(C)C)c(=O)c2c1 ZINC000000952847 570466100 /nfs/dbraw/zinc/46/61/00/570466100.db2.gz AGOBDYHAUGFLKK-UHFFFAOYSA-N 1 0 372.509 4.127 40 0 FIABRO Fc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 ZINC000096057051 570474521 /nfs/dbraw/zinc/47/45/21/570474521.db2.gz YINWRGIHERSHJW-FGZHOGPDSA-N 1 0 361.501 4.404 40 0 FIABRO COc1ccc(CN2CC[C@@H]([N@H+](C)C(C)C)[C@@H]2Cc2ccccc2)cc1 ZINC000096061665 570475080 /nfs/dbraw/zinc/47/50/80/570475080.db2.gz BHYVKTWZKLGPEW-PKTZIBPZSA-N 1 0 352.522 4.221 40 0 FIABRO Cc1noc(C)c1CN1CCC2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000096159397 570477938 /nfs/dbraw/zinc/47/79/38/570477938.db2.gz LSESEPRCJAZCCY-UHFFFAOYSA-N 1 0 357.473 4.061 40 0 FIABRO C[C@@H]1C[C@@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242451 570479886 /nfs/dbraw/zinc/47/98/86/570479886.db2.gz BKFQWENQZBTOIE-NQIIRXRSSA-N 1 0 366.549 4.209 40 0 FIABRO C[C@@H]1C[C@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242453 570480057 /nfs/dbraw/zinc/48/00/57/570480057.db2.gz BKFQWENQZBTOIE-WIYYLYMNSA-N 1 0 366.549 4.209 40 0 FIABRO O[C@@]1(COc2cccc(Cl)c2)CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585272610 570486836 /nfs/dbraw/zinc/48/68/36/570486836.db2.gz OEQZRUWCBIJXDW-NRFANRHFSA-N 1 0 370.880 4.227 40 0 FIABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2C)[C@@H]1Cc1ccc(C)cc1 ZINC000585283722 570493187 /nfs/dbraw/zinc/49/31/87/570493187.db2.gz CBPIGDIIKPUIIB-ZEQRLZLVSA-N 1 0 364.533 4.058 40 0 FIABRO C[C@@H](C[NH3+])c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c32)cc1 ZINC000150236361 570517932 /nfs/dbraw/zinc/51/79/32/570517932.db2.gz GBOYXCBUDIJBBZ-NSHDSACASA-N 1 0 350.443 4.178 40 0 FIABRO c1ccc(-c2noc([C@H]3CC[N@@H+](Cc4cccc5cccnc54)C3)n2)cc1 ZINC000072369828 570546537 /nfs/dbraw/zinc/54/65/37/570546537.db2.gz BJEMQQBVZYTYRR-IBGZPJMESA-N 1 0 356.429 4.274 40 0 FIABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC000257233403 570627025 /nfs/dbraw/zinc/62/70/25/570627025.db2.gz GPDJDUBCEPAIDK-JOCHJYFZSA-N 1 0 355.478 4.151 40 0 FIABRO Cc1c(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)[nH]c2ccccc12 ZINC000012119271 570720139 /nfs/dbraw/zinc/72/01/39/570720139.db2.gz GNGYREXTQSBRFC-MRXNPFEDSA-N 1 0 361.445 4.221 40 0 FIABRO Clc1ccc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)cc1Cl ZINC000012228316 570729949 /nfs/dbraw/zinc/72/99/49/570729949.db2.gz SNSLARBLAJVYDE-UHFFFAOYSA-N 1 0 362.264 4.039 40 0 FIABRO Fc1cccc(-c2cnc(-c3ccncc3)c(C[NH2+]C[C@H]3CCCO3)c2)c1 ZINC000012337340 570737788 /nfs/dbraw/zinc/73/77/88/570737788.db2.gz WZKFVRVBQPRUEX-OAQYLSRUSA-N 1 0 363.436 4.218 40 0 FIABRO Cn1nc(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c2cccnc21 ZINC000012670251 570756355 /nfs/dbraw/zinc/75/63/55/570756355.db2.gz IWYSIUNIOOINMY-UHFFFAOYSA-N 1 0 374.410 4.367 40 0 FIABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](CCc4ccccc4)C3)cc2n1 ZINC000013225696 570775422 /nfs/dbraw/zinc/77/54/22/570775422.db2.gz ZKZQZOZGAXPXJH-INIZCTEOSA-N 1 0 374.410 4.089 40 0 FIABRO Cc1ccc(C)c([C@H](O)C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000019132022 570880746 /nfs/dbraw/zinc/88/07/46/570880746.db2.gz RDWLYBXDYPMSQY-HXUWFJFHSA-N 1 0 368.452 4.497 40 0 FIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2C)cc1OC ZINC000019239547 570883640 /nfs/dbraw/zinc/88/36/40/570883640.db2.gz QXFAHLQQSDYZIG-FUKQBSRTSA-N 1 0 366.505 4.469 40 0 FIABRO FC(F)(F)c1[nH]c2ncccc2c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000019345107 570886679 /nfs/dbraw/zinc/88/66/79/570886679.db2.gz WCRPVLFTULJAIW-UHFFFAOYSA-N 1 0 366.431 4.032 40 0 FIABRO CC(C)c1ccc(C[NH+]2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 ZINC000019453204 570889200 /nfs/dbraw/zinc/88/92/00/570889200.db2.gz AGVJEDBOGNRJGP-UHFFFAOYSA-N 1 0 363.465 4.030 40 0 FIABRO CCCn1nc(C)c(-c2cncn2C(C)(C)C[NH+]2CCC(C)CC2)c1C ZINC000019654536 570896728 /nfs/dbraw/zinc/89/67/28/570896728.db2.gz ANDSPSFABHWEQO-UHFFFAOYSA-N 1 0 357.546 4.240 40 0 FIABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1c(C)n(C)nc1-c1ccccc1 ZINC000019719401 570900878 /nfs/dbraw/zinc/90/08/78/570900878.db2.gz XJDVFMNJLJFPCF-LJQANCHMSA-N 1 0 363.509 4.306 40 0 FIABRO C[C@H](CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000224333797 570985349 /nfs/dbraw/zinc/98/53/49/570985349.db2.gz QOJUVIMOTMPAFJ-RTBURBONSA-N 1 0 350.506 4.452 40 0 FIABRO CCc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000224537557 570992828 /nfs/dbraw/zinc/99/28/28/570992828.db2.gz XEFLEIVJBKVTGG-UHFFFAOYSA-N 1 0 350.506 4.094 40 0 FIABRO Cc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224674609 570996981 /nfs/dbraw/zinc/99/69/81/570996981.db2.gz FBBDZEBSFNRHOW-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO Fc1ccc(NC(=S)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224703835 570997964 /nfs/dbraw/zinc/99/79/64/570997964.db2.gz ZEUGJXKBJBGGCI-UHFFFAOYSA-N 1 0 357.498 4.298 40 0 FIABRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1Cl ZINC000224851356 571002846 /nfs/dbraw/zinc/00/28/46/571002846.db2.gz LUFDFRZUZYNGDO-UHFFFAOYSA-N 1 0 372.896 4.265 40 0 FIABRO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000039761049 571022950 /nfs/dbraw/zinc/02/29/50/571022950.db2.gz QBHVDKCUDKPPSS-UHFFFAOYSA-N 1 0 352.478 4.244 40 0 FIABRO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039772009 571024105 /nfs/dbraw/zinc/02/41/05/571024105.db2.gz VSWUXNFZORVYRY-SFHVURJKSA-N 1 0 368.496 4.175 40 0 FIABRO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039755592 571024947 /nfs/dbraw/zinc/02/49/47/571024947.db2.gz YINPXAGVBSWCIQ-UHFFFAOYSA-N 1 0 368.974 4.200 40 0 FIABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000028220907 571028020 /nfs/dbraw/zinc/02/80/20/571028020.db2.gz HLSOLTMMQBGQND-QFBILLFUSA-N 1 0 356.897 4.429 40 0 FIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 ZINC000225607163 571049152 /nfs/dbraw/zinc/04/91/52/571049152.db2.gz WWMRVJYLOTWWGA-NRFANRHFSA-N 1 0 364.530 4.187 40 0 FIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225611558 571049613 /nfs/dbraw/zinc/04/96/13/571049613.db2.gz CCENMCPYDUNJRR-UWJYYQICSA-N 1 0 362.514 4.084 40 0 FIABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000225628580 571050771 /nfs/dbraw/zinc/05/07/71/571050771.db2.gz NIIBXHKRIBCDFR-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000225634088 571051130 /nfs/dbraw/zinc/05/11/30/571051130.db2.gz WWGMJPOLFNQJSQ-UHFFFAOYSA-N 1 0 364.489 4.291 40 0 FIABRO CO[C@@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225644627 571052115 /nfs/dbraw/zinc/05/21/15/571052115.db2.gz QMDOHFNVBHNKGH-HTAPYJJXSA-N 1 0 374.525 4.084 40 0 FIABRO Cc1cc(C)c(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000225651314 571052645 /nfs/dbraw/zinc/05/26/45/571052645.db2.gz ZIRSRIGBKZQKHO-UHFFFAOYSA-N 1 0 352.478 4.337 40 0 FIABRO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000030946186 571053164 /nfs/dbraw/zinc/05/31/64/571053164.db2.gz LDMATMQBEHRHAL-UHFFFAOYSA-N 1 0 366.505 4.199 40 0 FIABRO C[C@@H]([NH3+])C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000065734220 571075281 /nfs/dbraw/zinc/07/52/81/571075281.db2.gz GMSLUXIYPBUZRT-QGZVFWFLSA-N 1 0 361.441 4.375 40 0 in-vitro FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000260764229 571122157 /nfs/dbraw/zinc/12/21/57/571122157.db2.gz KEMSSROHPFNYAC-ICSRJNTNSA-N 1 0 372.553 4.104 40 0 FIABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816846 571123705 /nfs/dbraw/zinc/12/37/05/571123705.db2.gz RBROHHGBHQVTFE-UTKZUKDTSA-N 1 0 362.514 4.084 40 0 FIABRO C[NH2+]C1CCC(Cc2cccc(-c3cnc4ccc(Cl)cn43)n2)CC1 ZINC000585263067 571125614 /nfs/dbraw/zinc/12/56/14/571125614.db2.gz ZRQARFBGRHFLCB-UHFFFAOYSA-N 1 0 354.885 4.370 40 0 FIABRO CC(C)(C)c1ccc(O)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000257199926 571149052 /nfs/dbraw/zinc/14/90/52/571149052.db2.gz ABHFJVPRGIPESK-UHFFFAOYSA-N 1 0 366.505 4.216 40 0 FIABRO CCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)[nH+]2)C1 ZINC000257217595 571151277 /nfs/dbraw/zinc/15/12/77/571151277.db2.gz CZQPNSGUSHGNEK-MRXNPFEDSA-N 1 0 353.466 4.258 40 0 FIABRO C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@H+](CC2CCOCC2)C1 ZINC000257306367 571160087 /nfs/dbraw/zinc/16/00/87/571160087.db2.gz SUAMYRHYRBTCDJ-JOCHJYFZSA-N 1 0 372.484 4.185 40 0 FIABRO O=C(CCCCC[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000071256247 571160396 /nfs/dbraw/zinc/16/03/96/571160396.db2.gz IAXAEKFOZGBBKF-UHFFFAOYSA-N 1 0 353.304 4.434 40 0 FIABRO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@@H+]2C2CCCCC2)nc1C ZINC000072345512 571179704 /nfs/dbraw/zinc/17/97/04/571179704.db2.gz DHXVACIHARUVIS-LJQANCHMSA-N 1 0 358.530 4.127 40 0 FIABRO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348864 571180638 /nfs/dbraw/zinc/18/06/38/571180638.db2.gz KHSVZKCQHZSGFO-OAQYLSRUSA-N 1 0 373.500 4.456 40 0 FIABRO Fc1cccc(Cc2cccc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350099 571181683 /nfs/dbraw/zinc/18/16/83/571181683.db2.gz QSJBIRLDVRRXAX-SFHVURJKSA-N 1 0 354.469 4.170 40 0 FIABRO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000072354102 571182032 /nfs/dbraw/zinc/18/20/32/571182032.db2.gz ZSMJKHDLBGVVAY-OAQYLSRUSA-N 1 0 360.505 4.094 40 0 FIABRO Cc1[nH]c2cccc(C(=O)N3CCC([C@@H]4CCCC[N@H+]4C)CC3)c2c1C ZINC000072354288 571182426 /nfs/dbraw/zinc/18/24/26/571182426.db2.gz DMKOPSFLGUYRBY-FQEVSTJZSA-N 1 0 353.510 4.121 40 0 FIABRO Cc1cccnc1Nc1cncc([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072354331 571182504 /nfs/dbraw/zinc/18/25/04/571182504.db2.gz KPNHKVUSNLGJBB-FQEVSTJZSA-N 1 0 373.504 4.346 40 0 FIABRO Cc1cccc(OCCC[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369849 571185149 /nfs/dbraw/zinc/18/51/49/571185149.db2.gz MTUBUNAUKMRPKD-IBGZPJMESA-N 1 0 363.461 4.303 40 0 FIABRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072376016 571185670 /nfs/dbraw/zinc/18/56/70/571185670.db2.gz BHRMZRRWBZAQCX-LJQANCHMSA-N 1 0 359.477 4.303 40 0 FIABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3CCc3ccccc3)n2)nc1 ZINC000072377561 571186521 /nfs/dbraw/zinc/18/65/21/571186521.db2.gz UQTRQGQHGXOPBE-FQEVSTJZSA-N 1 0 359.477 4.303 40 0 FIABRO c1ccc(Nc2nccc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)n2)nc1 ZINC000072377841 571186637 /nfs/dbraw/zinc/18/66/37/571186637.db2.gz KJQGOSXPQPZCCE-SFHVURJKSA-N 1 0 351.498 4.375 40 0 FIABRO CCCN(CC)C(=O)c1ccc2c(c1)C1(CCO2)CC[NH+](CC2CC2)CC1 ZINC000306125132 571213140 /nfs/dbraw/zinc/21/31/40/571213140.db2.gz CHWFBFQVYQVQBM-UHFFFAOYSA-N 1 0 370.537 4.085 40 0 FIABRO c1coc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)c1 ZINC000306128542 571213463 /nfs/dbraw/zinc/21/34/63/571213463.db2.gz HDDLVMDHMMUDTP-MRXNPFEDSA-N 1 0 364.474 4.430 40 0 FIABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000257313528 571215994 /nfs/dbraw/zinc/21/59/94/571215994.db2.gz UTADVVGQSDLMRJ-IPJJNNNSSA-N 1 0 357.542 4.187 40 0 FIABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccncc3)CC2)N1CC1CCCCC1 ZINC000585100864 571222384 /nfs/dbraw/zinc/22/23/84/571222384.db2.gz ZLIZZQZOROVUHP-JOCHJYFZSA-N 1 0 355.526 4.009 40 0 FIABRO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC[C@H]21 ZINC000585108000 571225322 /nfs/dbraw/zinc/22/53/22/571225322.db2.gz SSSRNBUZKPXCEU-VBSBHUPXSA-N 1 0 360.929 4.022 40 0 FIABRO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1c(Cl)cccc1Cl ZINC000585109187 571225386 /nfs/dbraw/zinc/22/53/86/571225386.db2.gz ZHQYJPNRFDQPSI-IRXDYDNUSA-N 1 0 355.309 4.215 40 0 FIABRO [NH2+]=C1N[C@H]([C@@H](O)c2ccccc2)[C@@H](c2ccc(Cc3ccccc3)cc2)S1 ZINC000253578319 571291812 /nfs/dbraw/zinc/29/18/12/571291812.db2.gz YERVHPOPRCNVGW-BHIFYINESA-N 1 0 374.509 4.482 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSc2ccccc2)CC1 ZINC000009062887 571302360 /nfs/dbraw/zinc/30/23/60/571302360.db2.gz MLFOJGLBVCEPJR-UHFFFAOYSA-N 1 0 368.546 4.116 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000009062965 571302376 /nfs/dbraw/zinc/30/23/76/571302376.db2.gz CGMBTLXUQDKSIK-UHFFFAOYSA-N 1 0 366.549 4.292 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSC3CCCCC3)CC2)c1 ZINC000009063028 571302605 /nfs/dbraw/zinc/30/26/05/571302605.db2.gz OHUTVVRQXKECBV-UHFFFAOYSA-N 1 0 374.594 4.389 40 0 FIABRO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063538 571302739 /nfs/dbraw/zinc/30/27/39/571302739.db2.gz BTPKLXNHIKEPPE-UHFFFAOYSA-N 1 0 370.468 4.464 40 0 FIABRO O=C(NCCSC1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010332772 571303115 /nfs/dbraw/zinc/30/31/15/571303115.db2.gz ZMZDAGIHNOUQLV-UHFFFAOYSA-N 1 0 360.567 4.468 40 0 FIABRO CCC[N@H+](CC)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(C)=O)CC2)C1 ZINC000019712765 571304639 /nfs/dbraw/zinc/30/46/39/571304639.db2.gz XULZMZVGLHEXAT-SFTDATJTSA-N 1 0 358.526 4.020 40 0 FIABRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC2)c1 ZINC000012292312 219975775 /nfs/dbraw/zinc/97/57/75/219975775.db2.gz DBZBERMUOVHAMT-QHCPKHFHSA-N 1 0 361.485 4.165 40 0 FIABRO COc1ccc(C[NH+](Cc2ccc(OC)cc2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000100173891 203811144 /nfs/dbraw/zinc/81/11/44/203811144.db2.gz DJGFPMDLJPTTTL-BGYRXZFFSA-N 1 0 355.478 4.010 40 0 FIABRO O=C(Nc1cccc(-n2cccn2)c1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000035322719 203885146 /nfs/dbraw/zinc/88/51/46/203885146.db2.gz NVXHMMZKJUQGDF-NRFANRHFSA-N 1 0 360.461 4.038 40 0 FIABRO COc1cc2cccnc2c(NC[C@](C)(O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000001656136 204016215 /nfs/dbraw/zinc/01/62/15/204016215.db2.gz ZJRGXNVEMVYOLI-QFIPXVFZSA-N 1 0 373.541 4.020 40 0 FIABRO CCC[C@@H](C[NH+]1CCCCC1)[C@@H](OC(=O)c1ccc(N)cc1)C(F)(F)F ZINC000004707339 204157164 /nfs/dbraw/zinc/15/71/64/204157164.db2.gz RURYPWLSKRBBFD-DOTOQJQBSA-N 1 0 372.431 4.259 40 0 FIABRO CC[NH+]1CCC(OC(=O)c2ccccc2)(c2nccc3ccccc32)CC1 ZINC000004774532 204163264 /nfs/dbraw/zinc/16/32/64/204163264.db2.gz UKBNZWHAAQUZJH-UHFFFAOYSA-N 1 0 360.457 4.403 40 0 FIABRO CCC(=O)OC1(c2ccccc2)CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000005046538 204187360 /nfs/dbraw/zinc/18/73/60/204187360.db2.gz GCFJWMMGLWBENW-UHFFFAOYSA-N 1 0 365.473 4.204 40 0 FIABRO C[C@H]1[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)C[C@H]2CCCC[N@@H+]21 ZINC000005758921 204224948 /nfs/dbraw/zinc/22/49/48/204224948.db2.gz MWRBNPVKOTZDOJ-BWAGFHJFSA-N 1 0 362.517 4.198 40 0 FIABRO Cc1cc(C)nc(SCCC[NH2+]Cc2ccc(Br)cc2)n1 ZINC000006678427 204261416 /nfs/dbraw/zinc/26/14/16/204261416.db2.gz CWQUQPMTPLWLIB-UHFFFAOYSA-N 1 0 366.328 4.128 40 0 FIABRO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008535053 204333987 /nfs/dbraw/zinc/33/39/87/204333987.db2.gz GMYOMDAJUSBARI-GFCCVEGCSA-N 1 0 370.276 4.051 40 0 FIABRO O=C(Nc1ccc(F)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038853545 205043022 /nfs/dbraw/zinc/04/30/22/205043022.db2.gz MNXVBJTZGUGVPY-CQSZACIVSA-N 1 0 364.823 4.469 40 0 FIABRO CSc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038852535 205043181 /nfs/dbraw/zinc/04/31/81/205043181.db2.gz HUVHOCDQWLVISR-MRXNPFEDSA-N 1 0 358.482 4.398 40 0 FIABRO C[C@H](SCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857209 205112533 /nfs/dbraw/zinc/11/25/33/205112533.db2.gz KYGJJTUZMMUHFE-SFHVURJKSA-N 1 0 368.546 4.221 40 0 FIABRO C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872536 205112782 /nfs/dbraw/zinc/11/27/82/205112782.db2.gz YUHVVNANCVDGCL-INIZCTEOSA-N 1 0 372.896 4.020 40 0 FIABRO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044852650 205113717 /nfs/dbraw/zinc/11/37/17/205113717.db2.gz PFEFQMOYLDSDFO-LJQANCHMSA-N 1 0 366.505 4.178 40 0 FIABRO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044912695 205114182 /nfs/dbraw/zinc/11/41/82/205114182.db2.gz UEIOVDCIRJQXGP-UHFFFAOYSA-N 1 0 366.505 4.391 40 0 FIABRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933431 205115106 /nfs/dbraw/zinc/11/51/06/205115106.db2.gz ILTYFJLVWKILFS-FXAWDEMLSA-N 1 0 354.469 4.224 40 0 FIABRO Cc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000046103159 205133634 /nfs/dbraw/zinc/13/36/34/205133634.db2.gz KCZOIHIDAJPGPB-UHFFFAOYSA-N 1 0 353.535 4.038 40 0 FIABRO C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374853 205136277 /nfs/dbraw/zinc/13/62/77/205136277.db2.gz MICIHWMBNJXPCI-QGZVFWFLSA-N 1 0 354.519 4.079 40 0 FIABRO CC[n+]1cc(Br)cc(-c2nc3cc(Cl)c(C)cc3[nH]2)c1 ZINC000226774356 206124277 /nfs/dbraw/zinc/12/42/77/206124277.db2.gz MAWDCBYFAYKHGK-UHFFFAOYSA-N 1 0 351.655 4.262 40 0 FIABRO CC[C@@H](C)c1ccc(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000004968937 206186973 /nfs/dbraw/zinc/18/69/73/206186973.db2.gz DLSSWGWEOYQVFS-GOSISDBHSA-N 1 0 357.542 4.089 40 0 FIABRO CC[C@H](C)c1ccc(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000004968938 206187499 /nfs/dbraw/zinc/18/74/99/206187499.db2.gz DLSSWGWEOYQVFS-SFHVURJKSA-N 1 0 357.542 4.089 40 0 FIABRO O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000005433825 206194426 /nfs/dbraw/zinc/19/44/26/206194426.db2.gz TZDSVQAWXDINOL-LSDHHAIUSA-N 1 0 368.527 4.258 40 0 biogenic,in-vitro FIABRO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)c1C ZINC000008672787 206217095 /nfs/dbraw/zinc/21/70/95/206217095.db2.gz GIVKAJNHLCKCON-AYHJJNSGSA-N 1 0 369.534 4.378 40 0 FIABRO COc1ccc(C[N@@H+](Cc2sccc2C)C[C@H]2CCCO2)cc1OC ZINC000013994157 206307578 /nfs/dbraw/zinc/30/75/78/206307578.db2.gz DIYXKNBRKIOHSS-QGZVFWFLSA-N 1 0 361.507 4.255 40 0 FIABRO CC[NH+](CC)CCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022075839 206365881 /nfs/dbraw/zinc/36/58/81/206365881.db2.gz CXELMSXFMNJUDG-UHFFFAOYSA-N 1 0 364.892 4.490 40 0 FIABRO C[C@@H](CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000224333748 206457961 /nfs/dbraw/zinc/45/79/61/206457961.db2.gz QOJUVIMOTMPAFJ-MOPGFXCFSA-N 1 0 350.506 4.452 40 0 FIABRO O=C(NCCSC1CCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000224566274 206461599 /nfs/dbraw/zinc/46/15/99/206461599.db2.gz VMHVPGYOQWMWHU-UHFFFAOYSA-N 1 0 360.567 4.468 40 0 FIABRO CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623875 206462065 /nfs/dbraw/zinc/46/20/65/206462065.db2.gz UVCJKRJZCJTMKE-NRFANRHFSA-N 1 0 366.505 4.065 40 0 FIABRO O=C(Cc1cccc(Cl)c1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224699131 206462747 /nfs/dbraw/zinc/46/27/47/206462747.db2.gz DBUIWNXKAWDWTO-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO Cc1nc(Nc2cccc(C3CC[NH+](C4CCOCC4)CC3)n2)sc1C ZINC000257206075 206598397 /nfs/dbraw/zinc/59/83/97/206598397.db2.gz BBSHCWAOOIDUQM-UHFFFAOYSA-N 1 0 372.538 4.257 40 0 FIABRO c1ccc(N2Cc3ccccc3C3(CC[NH+](C4CCOCC4)CC3)C2)cc1 ZINC000096242465 132223884 /nfs/dbraw/zinc/22/38/84/132223884.db2.gz WSURWXKDISIYIJ-UHFFFAOYSA-N 1 0 362.517 4.219 40 0 FIABRO Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328962102 132371950 /nfs/dbraw/zinc/37/19/50/132371950.db2.gz BHJHLXXULFKNPY-UHFFFAOYSA-N 1 0 364.880 4.035 40 0 FIABRO CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329034887 132372886 /nfs/dbraw/zinc/37/28/86/132372886.db2.gz RCEILNSSGKZGOW-OAHLLOKOSA-N 1 0 366.509 4.010 40 0 FIABRO C[NH+](C)CCOCCOC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001678301 132382272 /nfs/dbraw/zinc/38/22/72/132382272.db2.gz OOVJCSPCMCAXEX-UHFFFAOYSA-N 1 0 358.463 4.004 40 0 in-man FIABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000020462398 523060952 /nfs/dbraw/zinc/06/09/52/523060952.db2.gz VRDZNDFQOOMGSS-FUHWJXTLSA-N 1 0 366.933 4.268 40 0 FIABRO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000223773565 568725738 /nfs/dbraw/zinc/72/57/38/568725738.db2.gz SUGXJVDWGPGJCO-UHFFFAOYSA-N 1 0 366.505 4.215 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)s1 ZINC000096047856 570473646 /nfs/dbraw/zinc/47/36/46/570473646.db2.gz QBVIBMMRHXUEFK-IBGZPJMESA-N 1 0 357.519 4.397 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)o1 ZINC000096047271 570473826 /nfs/dbraw/zinc/47/38/26/570473826.db2.gz YBJFMHMKRJPELX-UHFFFAOYSA-N 1 0 358.507 4.168 40 0 FIABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096052605 570474498 /nfs/dbraw/zinc/47/44/98/570474498.db2.gz UANIAIKDOACKBB-GOSISDBHSA-N 1 0 366.505 4.215 40 0 FIABRO Fc1ccccc1C[N@@H+]1CCC[C@]2(C[C@@H](OCc3ccccc3)CO2)C1 ZINC000096073568 570475229 /nfs/dbraw/zinc/47/52/29/570475229.db2.gz CTDOCRYLOQQYHN-IRLDBZIGSA-N 1 0 355.453 4.166 40 0 FIABRO Fc1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n[nH]2)cc1 ZINC000585260858 570480968 /nfs/dbraw/zinc/48/09/68/570480968.db2.gz OZLZAPAXGHNKEH-QGZVFWFLSA-N 1 0 351.425 4.117 40 0 FIABRO c1nc(Nc2cc(CC[C@@H]3CCC[NH2+]3)ncn2)sc1-c1ccccc1 ZINC000585263167 570481698 /nfs/dbraw/zinc/48/16/98/570481698.db2.gz PITDFPVJMDBLIR-HNNXBMFYSA-N 1 0 351.479 4.028 40 0 FIABRO Cc1nc(Nc2ncc(-c3ccccc3)s2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000585263272 570481925 /nfs/dbraw/zinc/48/19/25/570481925.db2.gz UMLRGCQGXBOHJB-HNNXBMFYSA-N 1 0 351.479 4.119 40 0 FIABRO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096625624 570481931 /nfs/dbraw/zinc/48/19/31/570481931.db2.gz GMCDNWORFIQLEZ-UHFFFAOYSA-N 1 0 374.887 4.050 40 0 FIABRO CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CC[NH2+]CC4)c23)C1 ZINC000013998643 570502793 /nfs/dbraw/zinc/50/27/93/570502793.db2.gz BXONUORTYBNVIJ-CQSZACIVSA-N 1 0 370.566 4.129 40 0 FIABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000100750226 570507612 /nfs/dbraw/zinc/50/76/12/570507612.db2.gz UTADVVGQSDLMRJ-XQBPLPMBSA-N 1 0 357.542 4.187 40 0 FIABRO COc1ccc([C@@H]2C[N@H+](CC3CC3)C[C@H]2c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000012128654 570720616 /nfs/dbraw/zinc/72/06/16/570720616.db2.gz NUPGCLZWUAFQQT-JKSUJKDBSA-N 1 0 365.399 4.030 40 0 FIABRO COc1ccc([C@@H]2C[N@H+](C[C@@H](C)c3ccccc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128538 570720841 /nfs/dbraw/zinc/72/08/41/570720841.db2.gz PLDVYRZCXMGCLN-VOQZNFBZSA-N 1 0 361.489 4.405 40 0 FIABRO Cc1nccc(-c2ccc(-c3noc(C[NH+]4CCCCCCC4)n3)cc2)n1 ZINC000012185948 570724855 /nfs/dbraw/zinc/72/48/55/570724855.db2.gz JYGAUKMZFLYLQP-UHFFFAOYSA-N 1 0 363.465 4.268 40 0 FIABRO Cc1ccccc1C1(O)CC[NH+](Cc2cnn(C3CCCCC3)c2)CC1 ZINC000012188740 570725295 /nfs/dbraw/zinc/72/52/95/570725295.db2.gz ONENZYOEZPZLQR-UHFFFAOYSA-N 1 0 353.510 4.180 40 0 FIABRO CCOCc1cc(C[N@@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)ccc1OC ZINC000012222176 570729376 /nfs/dbraw/zinc/72/93/76/570729376.db2.gz BLNNQPKJKVBZJO-FQEVSTJZSA-N 1 0 365.477 4.445 40 0 FIABRO CCOCc1cc(C[N@@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)ccc1OC ZINC000012222175 570729382 /nfs/dbraw/zinc/72/93/82/570729382.db2.gz BLNNQPKJKVBZJO-HXUWFJFHSA-N 1 0 365.477 4.445 40 0 FIABRO Fc1cccc(-c2cnc(-c3ccncc3)c(C[NH2+]C[C@@H]3CCCO3)c2)c1 ZINC000012337339 570737751 /nfs/dbraw/zinc/73/77/51/570737751.db2.gz WZKFVRVBQPRUEX-NRFANRHFSA-N 1 0 363.436 4.218 40 0 FIABRO CCOc1cc(OCC)cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000006595486 570784372 /nfs/dbraw/zinc/78/43/72/570784372.db2.gz FILCRVAOVAQZCA-UHFFFAOYSA-N 1 0 368.477 4.332 40 0 FIABRO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062899 570802745 /nfs/dbraw/zinc/80/27/45/570802745.db2.gz ADQICNKEYANRGY-UHFFFAOYSA-N 1 0 352.478 4.163 40 0 FIABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Br)c1 ZINC000017074067 570869325 /nfs/dbraw/zinc/86/93/25/570869325.db2.gz QSZRTZINQNAROE-UHFFFAOYSA-N 1 0 359.267 4.297 40 0 FIABRO Fc1ccc([C@H]2C[NH2+][C@@H]3CCCN(Cc4ccc(Cl)c(F)c4)[C@@H]32)cc1 ZINC000019336377 570886215 /nfs/dbraw/zinc/88/62/15/570886215.db2.gz KXLIYAQOQYJBSZ-NSISKUIASA-N 1 0 362.851 4.338 40 0 FIABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000019371972 570887908 /nfs/dbraw/zinc/88/79/08/570887908.db2.gz YOQUVFHGMHDYHY-SFHVURJKSA-N 1 0 367.493 4.117 40 0 FIABRO CC(C)Oc1cccc(CN2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)c1 ZINC000019450881 570889223 /nfs/dbraw/zinc/88/92/23/570889223.db2.gz ZNMQAEWZCILUCZ-DNVJHFABSA-N 1 0 368.496 4.333 40 0 FIABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CC12CCC2 ZINC000019589054 570895235 /nfs/dbraw/zinc/89/52/35/570895235.db2.gz LGMOWCJYBLJESE-BURNTYAHSA-N 1 0 352.522 4.046 40 0 FIABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C ZINC000019654434 570896772 /nfs/dbraw/zinc/89/67/72/570896772.db2.gz XCEAOZXQKYZNRE-FQEVSTJZSA-N 1 0 363.509 4.150 40 0 FIABRO CN(Cc1cc(C2CC[NH2+]CC2)nn1C)Cc1ccc(-c2ccccc2)cc1 ZINC000019710204 570898942 /nfs/dbraw/zinc/89/89/42/570898942.db2.gz LPDUBKIBQJMSHB-UHFFFAOYSA-N 1 0 374.532 4.186 40 0 FIABRO O=C(CCc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024617684 570979156 /nfs/dbraw/zinc/97/91/56/570979156.db2.gz SGAZCBBXFKUIEJ-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000224530849 570992308 /nfs/dbraw/zinc/99/23/08/570992308.db2.gz AXAUYVUWWMPKIZ-LJQANCHMSA-N 1 0 350.506 4.127 40 0 FIABRO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000224536869 570992692 /nfs/dbraw/zinc/99/26/92/570992692.db2.gz RLYOBYRGYOFXQD-UHFFFAOYSA-N 1 0 372.896 4.265 40 0 FIABRO Cc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000224638110 570995725 /nfs/dbraw/zinc/99/57/25/570995725.db2.gz QCDQSEFXKVXSGQ-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO O=C(COc1cccc(Cl)c1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224696167 570997498 /nfs/dbraw/zinc/99/74/98/570997498.db2.gz IPCHSUSSHDHXOM-UHFFFAOYSA-N 1 0 372.896 4.021 40 0 FIABRO Cc1ccc(C)c(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000225229617 571022940 /nfs/dbraw/zinc/02/29/40/571022940.db2.gz POMARZHLXYDURG-UHFFFAOYSA-N 1 0 359.564 4.316 40 0 FIABRO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039759661 571026288 /nfs/dbraw/zinc/02/62/88/571026288.db2.gz QEDQEPMQUOPRPW-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000030848284 571050612 /nfs/dbraw/zinc/05/06/12/571050612.db2.gz MSLFCHSRPHGFSP-FQEVSTJZSA-N 1 0 358.457 4.464 40 0 FIABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCC1 ZINC000225626450 571050739 /nfs/dbraw/zinc/05/07/39/571050739.db2.gz MKFOKWVQILAGBD-GOSISDBHSA-N 1 0 374.525 4.085 40 0 FIABRO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030943632 571052668 /nfs/dbraw/zinc/05/26/68/571052668.db2.gz XEFRVLZQVPSNCK-DENIHFKCSA-N 1 0 350.506 4.036 40 0 FIABRO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000030946182 571053499 /nfs/dbraw/zinc/05/34/99/571053499.db2.gz JLTVBJQJIGAHOW-UHFFFAOYSA-N 1 0 366.505 4.343 40 0 FIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225727142 571059558 /nfs/dbraw/zinc/05/95/58/571059558.db2.gz YMNBWALKKKFOQK-KRWDZBQOSA-N 1 0 362.514 4.084 40 0 FIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000225728680 571060046 /nfs/dbraw/zinc/06/00/46/571060046.db2.gz ICGSXNXOMCFWEG-BETUJISGSA-N 1 0 357.926 4.134 40 0 FIABRO S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000225742316 571061122 /nfs/dbraw/zinc/06/11/22/571061122.db2.gz HDFANBHFPSKKON-UHFFFAOYSA-N 1 0 359.926 4.075 40 0 FIABRO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225799002 571067343 /nfs/dbraw/zinc/06/73/43/571067343.db2.gz ACPHXIRPBSQXKX-MSOLQXFVSA-N 1 0 366.505 4.418 40 0 FIABRO CC[NH+](CC)CCCN1C(=S)N=NC1CC12CC3CC(CC(C3)C1)C2 ZINC000006400625 571071312 /nfs/dbraw/zinc/07/13/12/571071312.db2.gz QDBSYPXDRLBSQE-UHFFFAOYSA-N 1 0 362.587 4.058 40 0 FIABRO COc1cccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000225904832 571078739 /nfs/dbraw/zinc/07/87/39/571078739.db2.gz LTIUBTACESINGJ-KRWDZBQOSA-N 1 0 372.896 4.224 40 0 FIABRO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903724 571078856 /nfs/dbraw/zinc/07/88/56/571078856.db2.gz XHONWOHCSGNDDD-SFHVURJKSA-N 1 0 374.887 4.350 40 0 FIABRO CCOC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260818231 571123856 /nfs/dbraw/zinc/12/38/56/571123856.db2.gz YGLQFVSWJUOHAV-QGZVFWFLSA-N 1 0 362.514 4.084 40 0 FIABRO COCc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000260854607 571124529 /nfs/dbraw/zinc/12/45/29/571124529.db2.gz ZWOBENGLZQBQKQ-KRWDZBQOSA-N 1 0 352.478 4.317 40 0 FIABRO c1cn2c(CN3CC[NH2+]CC3)c(-c3ccc(-c4ccccc4)cc3)nc2s1 ZINC000022464813 571137269 /nfs/dbraw/zinc/13/72/69/571137269.db2.gz OCQBLVSKKNQQMT-UHFFFAOYSA-N 1 0 374.513 4.135 40 0 FIABRO CN(CCc1ccccc1)C(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257214619 571150819 /nfs/dbraw/zinc/15/08/19/571150819.db2.gz CMQREXZKMJEOFH-UHFFFAOYSA-N 1 0 373.500 4.125 40 0 FIABRO Cc1ccc2c(c1)OC1(CC[NH+](Cc3cncs3)CC1)[C@H]1CCCO[C@H]21 ZINC000257220554 571151598 /nfs/dbraw/zinc/15/15/98/571151598.db2.gz DLFCJAXIPLSCCQ-AZUAARDMSA-N 1 0 370.518 4.346 40 0 FIABRO Cc1ccc(C(=O)N2CCC[C@@H]2c2ccnc(C[NH+]3CCCC3)c2)s1 ZINC000257244402 571153694 /nfs/dbraw/zinc/15/36/94/571153694.db2.gz ILCZIUJZURCYFM-GOSISDBHSA-N 1 0 355.507 4.025 40 0 FIABRO CC(=O)N1Cc2ccccc2OC2(CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000257256391 571155001 /nfs/dbraw/zinc/15/50/01/571155001.db2.gz KLHDYUWLDPBKAJ-UHFFFAOYSA-N 1 0 370.537 4.279 40 0 FIABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)n2)cc1 ZINC000257317765 571161322 /nfs/dbraw/zinc/16/13/22/571161322.db2.gz VLBBEDWWJSSPQP-HNNXBMFYSA-N 1 0 371.387 4.013 40 0 FIABRO CC(C)[NH+]1CCC(c2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 ZINC000257331388 571162621 /nfs/dbraw/zinc/16/26/21/571162621.db2.gz XSQCFPFVFLKTCI-UHFFFAOYSA-N 1 0 357.498 4.329 40 0 FIABRO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000032164824 571167943 /nfs/dbraw/zinc/16/79/43/571167943.db2.gz XHWYYMNEJCMADF-UHFFFAOYSA-N 1 0 350.506 4.445 40 0 in-vitro FIABRO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000032164823 571167969 /nfs/dbraw/zinc/16/79/69/571167969.db2.gz QKQAUPIOVFHVJI-UHFFFAOYSA-N 1 0 366.505 4.145 40 0 in-vitro FIABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000072330491 571178611 /nfs/dbraw/zinc/17/86/11/571178611.db2.gz GWFOARLPBFFKPW-UGKGYDQZSA-N 1 0 365.521 4.229 40 0 FIABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000072330490 571178643 /nfs/dbraw/zinc/17/86/43/571178643.db2.gz GWFOARLPBFFKPW-KNQAVFIVSA-N 1 0 365.521 4.229 40 0 FIABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072350488 571181742 /nfs/dbraw/zinc/18/17/42/571181742.db2.gz SBLYEULJBGYGKP-LJQANCHMSA-N 1 0 361.493 4.165 40 0 FIABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072354668 571182402 /nfs/dbraw/zinc/18/24/02/571182402.db2.gz YYILGALBTFFQKU-GOSISDBHSA-N 1 0 365.868 4.111 40 0 FIABRO Cc1nccn1-c1cccc(C2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000072379082 571187215 /nfs/dbraw/zinc/18/72/15/571187215.db2.gz ZIYNJFHTTYTEPF-UHFFFAOYSA-N 1 0 350.441 4.094 40 0 FIABRO O=c1cc(C2CC[NH+](CC3CCCCC3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392689 571190252 /nfs/dbraw/zinc/19/02/52/571190252.db2.gz HXHZPECTZIIQFX-UHFFFAOYSA-N 1 0 352.482 4.004 40 0 FIABRO Fc1ccc(C[N@H+]2C[C@@H]3c4nc(Nc5ccccc5)ncc4C[C@@H]3C2)cc1 ZINC000306131149 571213908 /nfs/dbraw/zinc/21/39/08/571213908.db2.gz JXUSTSWZHHXBMD-XLIONFOSSA-N 1 0 360.436 4.131 40 0 FIABRO O=C1CC[C@@]2(CCC[N@H+](CC3CCCCC3)CC2)N1Cc1cncs1 ZINC000585100115 571221238 /nfs/dbraw/zinc/22/12/38/571221238.db2.gz FYVNSVAEULKGSH-HXUWFJFHSA-N 1 0 361.555 4.071 40 0 FIABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](CCC(C)C)C[C@@H]32)o1 ZINC000585109604 571225031 /nfs/dbraw/zinc/22/50/31/571225031.db2.gz CWXCQSHHOFHTGY-IRFCIJBXSA-N 1 0 352.478 4.134 40 0 FIABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Br)cc1 ZINC000012342196 571294168 /nfs/dbraw/zinc/29/41/68/571294168.db2.gz JPIQNXLYUCFYCE-IHRRRGAJSA-N 1 0 354.288 4.257 40 0 FIABRO C[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000012188820 571303428 /nfs/dbraw/zinc/30/34/28/571303428.db2.gz VYMNHOWTMIKDOZ-VOQZNFBZSA-N 1 0 354.538 4.197 40 0 FIABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000019690460 571303930 /nfs/dbraw/zinc/30/39/30/571303930.db2.gz MWESMGWAXZVGLS-FQEVSTJZSA-N 1 0 366.509 4.298 40 0 FIABRO COc1cc2[nH+]ccc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000003832350 571352626 /nfs/dbraw/zinc/35/26/26/571352626.db2.gz VYPGLYMWNDRFGZ-UHFFFAOYSA-N 1 0 370.405 4.021 40 0 FIABRO Cc1cccc(C)c1C(OC[C@@H](O)C[NH2+]C(C)C)c1c(C)cccc1C ZINC000002019969 204023982 /nfs/dbraw/zinc/02/39/82/204023982.db2.gz NCDUZGLNHCZFNZ-FQEVSTJZSA-N 1 0 355.522 4.385 40 0 in-man FIABRO C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)C[NH+]1CCCCC1 ZINC000004900323 204174227 /nfs/dbraw/zinc/17/42/27/204174227.db2.gz YNUQPGKCYNHIBB-NLPWIYRPSA-N 1 0 369.549 4.465 40 0 FIABRO CCOc1ccc2ccccc2c1C[NH2+]CCCSc1ncccn1 ZINC000004984130 204182017 /nfs/dbraw/zinc/18/20/17/204182017.db2.gz GVQDHSMSIMJGSO-UHFFFAOYSA-N 1 0 353.491 4.301 40 0 FIABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccs2)C3)cc1 ZINC000035290314 204226104 /nfs/dbraw/zinc/22/61/04/204226104.db2.gz OUFFAGFIHVQTGR-YQQQUEKLSA-N 1 0 354.519 4.372 40 0 FIABRO COc1cc2cccnc2c(NC[C@@](C)(O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000005834698 204227312 /nfs/dbraw/zinc/22/73/12/204227312.db2.gz ZJRGXNVEMVYOLI-JOCHJYFZSA-N 1 0 373.541 4.020 40 0 FIABRO O=C(CSc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448423 204298424 /nfs/dbraw/zinc/29/84/24/204298424.db2.gz JNDBMYKFBKBGAH-UHFFFAOYSA-N 1 0 354.519 4.081 40 0 FIABRO CCOc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccccc1Cl ZINC000006783967 204269452 /nfs/dbraw/zinc/26/94/52/204269452.db2.gz QGNRNUJJJPQTDZ-UHFFFAOYSA-N 1 0 370.276 4.053 40 0 FIABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OC ZINC000008253624 204323136 /nfs/dbraw/zinc/32/31/36/204323136.db2.gz BBTWFGLCMKUNLW-UHFFFAOYSA-N 1 0 368.246 4.285 40 0 FIABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Cl)c1OCC ZINC000008253893 204324044 /nfs/dbraw/zinc/32/40/44/204324044.db2.gz PPEGDIVCMWUIRE-UHFFFAOYSA-N 1 0 363.885 4.478 40 0 FIABRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)CC ZINC000008326683 204327477 /nfs/dbraw/zinc/32/74/77/204327477.db2.gz RHWAWKJXXJZHDP-VIFPVBQESA-N 1 0 365.109 4.498 40 0 FIABRO C[NH+](C)CCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008373843 204328417 /nfs/dbraw/zinc/32/84/17/204328417.db2.gz KBIAFVSHPIEBAV-UHFFFAOYSA-N 1 0 350.865 4.099 40 0 FIABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000008497903 204332245 /nfs/dbraw/zinc/33/22/45/204332245.db2.gz KNSPZFJNLZCRIN-LBPRGKRZSA-N 1 0 370.276 4.051 40 0 FIABRO CCc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000008577647 204334995 /nfs/dbraw/zinc/33/49/95/204334995.db2.gz PBNXVLSZMCWJCQ-AYHJJNSGSA-N 1 0 369.534 4.324 40 0 FIABRO CC[NH+]1CCC(n2nccc2NC(=O)c2oc3ccc(C)cc3c2C)CC1 ZINC000019527057 204686801 /nfs/dbraw/zinc/68/68/01/204686801.db2.gz PRYIWUMSUDMPPC-UHFFFAOYSA-N 1 0 366.465 4.155 40 0 FIABRO Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024652031 204821215 /nfs/dbraw/zinc/82/12/15/204821215.db2.gz HJDMOPGXJVIHOO-GOSISDBHSA-N 1 0 368.546 4.388 40 0 FIABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1CCCCCC1 ZINC000038752971 205041944 /nfs/dbraw/zinc/04/19/44/205041944.db2.gz LHCIQUVPQXWPPH-OAQYLSRUSA-N 1 0 368.521 4.380 40 0 FIABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834224 205042846 /nfs/dbraw/zinc/04/28/46/205042846.db2.gz SGAUYZKONJXAOH-INIZCTEOSA-N 1 0 358.869 4.199 40 0 FIABRO COC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038834555 205043627 /nfs/dbraw/zinc/04/36/27/205043627.db2.gz VLSIHKCMTQVXRN-UHFFFAOYSA-N 1 0 366.461 4.102 40 0 FIABRO O=C(NCc1ccc(F)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044932117 205114555 /nfs/dbraw/zinc/11/45/55/205114555.db2.gz CBYAYHXPELFREK-UHFFFAOYSA-N 1 0 374.459 4.314 40 0 FIABRO COc1ccc(F)c(C[N@H+](CCCn2ccnc2)Cc2ccc(C)s2)c1 ZINC000043277891 205102129 /nfs/dbraw/zinc/10/21/29/205102129.db2.gz OEMMFQWWDSPWMP-UHFFFAOYSA-N 1 0 373.497 4.493 40 0 FIABRO CCOC(=O)c1ccc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)cc1 ZINC000064873618 205308865 /nfs/dbraw/zinc/30/88/65/205308865.db2.gz QULWEALCZMRIFS-UHFFFAOYSA-N 1 0 352.390 4.172 40 0 FIABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000072354641 205518746 /nfs/dbraw/zinc/51/87/46/205518746.db2.gz AOEYGTLGFRMLTP-FQEVSTJZSA-N 1 0 362.452 4.245 40 0 FIABRO Cc1cccc(CNc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)c1 ZINC000243481317 206119291 /nfs/dbraw/zinc/11/92/91/206119291.db2.gz NOTIHJISLAAWTB-UHFFFAOYSA-N 1 0 361.493 4.038 40 0 FIABRO COc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000002685818 206155494 /nfs/dbraw/zinc/15/54/94/206155494.db2.gz JCMGAXSQIBOSJA-SJLPKXTDSA-N 1 0 357.494 4.083 40 0 FIABRO COc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCC2)c1 ZINC000004857138 206182381 /nfs/dbraw/zinc/18/23/81/206182381.db2.gz HZRCWJHNAMTTQK-JLYLLQBASA-N 1 0 373.566 4.310 40 0 FIABRO COCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008469076 206247169 /nfs/dbraw/zinc/24/71/69/206247169.db2.gz MMDJMBNEPUQWAN-UHFFFAOYSA-N 1 0 370.276 4.317 40 0 FIABRO Cc1ccc(S[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224592141 206461850 /nfs/dbraw/zinc/46/18/50/206461850.db2.gz FACZTIVZLOJTRL-GOSISDBHSA-N 1 0 368.546 4.388 40 0 FIABRO CC(C)Oc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224676123 206462901 /nfs/dbraw/zinc/46/29/01/206462901.db2.gz KPBASDUNBRWLQH-UHFFFAOYSA-N 1 0 366.505 4.390 40 0 FIABRO Cc1ccc(NC(=S)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224703755 206463170 /nfs/dbraw/zinc/46/31/70/206463170.db2.gz CTNHVTIKXPWISV-UHFFFAOYSA-N 1 0 353.535 4.468 40 0 FIABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225622712 206490137 /nfs/dbraw/zinc/49/01/37/206490137.db2.gz DFEBPPGMRODSPQ-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO CCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225723535 206496026 /nfs/dbraw/zinc/49/60/26/206496026.db2.gz QGCZSMREDLHKSB-HTAPYJJXSA-N 1 0 374.525 4.084 40 0 FIABRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096216935 132222485 /nfs/dbraw/zinc/22/24/85/132222485.db2.gz GALIAHDVFOYOPC-JOCHJYFZSA-N 1 0 350.510 4.093 40 0 FIABRO CC(C)c1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CCCC2)[nH+]1 ZINC000329032250 132372705 /nfs/dbraw/zinc/37/27/05/132372705.db2.gz QNVBZDFMEHMHEN-MRXNPFEDSA-N 1 0 350.510 4.328 40 0 FIABRO Cc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329029203 132372737 /nfs/dbraw/zinc/37/27/37/132372737.db2.gz PYDDQOQCEOWGGE-MRXNPFEDSA-N 1 0 366.509 4.146 40 0 FIABRO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039750065 263399362 /nfs/dbraw/zinc/39/93/62/263399362.db2.gz PMKRWVFGUXGPHX-SFHVURJKSA-N 1 0 366.505 4.093 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000020492495 523168210 /nfs/dbraw/zinc/16/82/10/523168210.db2.gz IAUGYJAESYPHNB-RTBURBONSA-N 1 0 360.542 4.348 40 0 FIABRO Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NCc2ccccc2)[nH+]1 ZINC000329024437 525100023 /nfs/dbraw/zinc/10/00/23/525100023.db2.gz OZVIJOKRMPVNEJ-UHFFFAOYSA-N 1 0 358.489 4.117 40 0 FIABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000225489444 560042705 /nfs/dbraw/zinc/04/27/05/560042705.db2.gz WEBMHMUJWVWRKZ-KRWDZBQOSA-N 1 0 356.853 4.380 40 0 biogenic,in-vitro FIABRO Fc1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 ZINC000096112926 560061261 /nfs/dbraw/zinc/06/12/61/560061261.db2.gz DWGBGGGQYDLGHV-SFHVURJKSA-N 1 0 371.843 4.031 40 0 biogenic,in-vitro FIABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1c3ccccc3CCc3ccccc31)C2 ZINC000000755206 570454990 /nfs/dbraw/zinc/45/49/90/570454990.db2.gz JTUZTJBWWIKYRI-IHWFROFDSA-N 1 0 361.489 4.258 40 0 FIABRO O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096047020 570473159 /nfs/dbraw/zinc/47/31/59/570473159.db2.gz RVFNSQLQERHRAF-FQEVSTJZSA-N 1 0 358.482 4.016 40 0 FIABRO O=C1CC[C@@]2(CCC[N@H+](Cc3cccs3)CC2)N1Cc1cccc(F)c1 ZINC000096047546 570473679 /nfs/dbraw/zinc/47/36/79/570473679.db2.gz IKXHGNLOBMRFTM-OAQYLSRUSA-N 1 0 372.509 4.435 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CCN(Cc4nccs4)CC3)CC2)cc1 ZINC000096047258 570473753 /nfs/dbraw/zinc/47/37/53/570473753.db2.gz RMGSVKKDRWMYIY-UHFFFAOYSA-N 1 0 355.551 4.330 40 0 FIABRO O=C1CC[C@]2(CCC[N@H+](Cc3cccs3)CC2)N1Cc1cccc(F)c1 ZINC000096047547 570473853 /nfs/dbraw/zinc/47/38/53/570473853.db2.gz IKXHGNLOBMRFTM-NRFANRHFSA-N 1 0 372.509 4.435 40 0 FIABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096051152 570474435 /nfs/dbraw/zinc/47/44/35/570474435.db2.gz SKXVCJREEXPHRN-SFHVURJKSA-N 1 0 363.477 4.189 40 0 FIABRO O=C(Nc1ccccc1)N1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000096071013 570474941 /nfs/dbraw/zinc/47/49/41/570474941.db2.gz ATPGHKLJBYBLBB-UHFFFAOYSA-N 1 0 369.896 4.470 40 0 FIABRO COC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2cn(CC3CCCC3)nc21 ZINC000096059992 570475035 /nfs/dbraw/zinc/47/50/35/570475035.db2.gz GADGCXDZAZVWAL-SFHVURJKSA-N 1 0 359.539 4.189 40 0 FIABRO O=C1CCC2(CCC([NH2+]Cc3ccsc3)CC2)N1Cc1ccccc1 ZINC000096228610 570479568 /nfs/dbraw/zinc/47/95/68/570479568.db2.gz DHBGQJFILSKVOZ-UHFFFAOYSA-N 1 0 354.519 4.342 40 0 FIABRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2nncs2)C3)cc1 ZINC000096217196 570479573 /nfs/dbraw/zinc/47/95/73/570479573.db2.gz MKGXKMDYWZTHRR-HXUWFJFHSA-N 1 0 356.539 4.154 40 0 FIABRO Clc1ccc2ncc(-c3cccc(C[C@@H]4CCC[C@H]5C[NH2+]C[C@H]54)n3)n2c1 ZINC000585262966 570481737 /nfs/dbraw/zinc/48/17/37/570481737.db2.gz RWDCKELYCFODLI-MPGHIAIKSA-N 1 0 366.896 4.228 40 0 FIABRO Cc1cc(Nc2ncc(-c3ccccc3)s2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000585263214 570481862 /nfs/dbraw/zinc/48/18/62/570481862.db2.gz PVGPADOWUYYQJY-HNNXBMFYSA-N 1 0 351.479 4.119 40 0 FIABRO O[C@H]1[C@H](Oc2ccccc2Cl)CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000585289634 570495432 /nfs/dbraw/zinc/49/54/32/570495432.db2.gz LDQASLOCAPLJBM-CEWLAPEOSA-N 1 0 359.897 4.223 40 0 FIABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000585289555 570495549 /nfs/dbraw/zinc/49/55/49/570495549.db2.gz JTWZMDCPEBKAFI-YTFSRNRJSA-N 1 0 369.480 4.366 40 0 FIABRO CSc1ccccc1C(=O)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613644 570582170 /nfs/dbraw/zinc/58/21/70/570582170.db2.gz ZFICBHOJQOTCJU-LJQANCHMSA-N 1 0 366.530 4.071 40 0 FIABRO C[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C ZINC000036058550 570693846 /nfs/dbraw/zinc/69/38/46/570693846.db2.gz AOWYYPBYAPIMFX-FVJLSDCUSA-N 1 0 372.553 4.166 40 0 FIABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000012020198 570714013 /nfs/dbraw/zinc/71/40/13/570714013.db2.gz LLFJRAVCSWXZCL-UHFFFAOYSA-N 1 0 374.868 4.091 40 0 FIABRO CC(C)(C)Nc1c(C2CCN(C(=O)C(C)(C)C)CC2)[nH+]c2ccccn21 ZINC000012087440 570717142 /nfs/dbraw/zinc/71/71/42/570717142.db2.gz HJDKMJOSKLMLEU-UHFFFAOYSA-N 1 0 356.514 4.297 40 0 FIABRO CCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc1OC ZINC000012252326 570731490 /nfs/dbraw/zinc/73/14/90/570731490.db2.gz OCZWASNPLHCUFR-DETIRCLXSA-N 1 0 372.553 4.180 40 0 FIABRO COc1ccccc1C1(O)CC[NH+](Cc2c(C)[nH]c3ccc(F)cc32)CC1 ZINC000012328488 570737144 /nfs/dbraw/zinc/73/71/44/570737144.db2.gz UUFXSVLGLXSVKU-UHFFFAOYSA-N 1 0 368.452 4.108 40 0 FIABRO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1CC1(c2ccc(Cl)cc2)CC1 ZINC000012364609 570739237 /nfs/dbraw/zinc/73/92/37/570739237.db2.gz WWFFRYGFAUPCII-IBGZPJMESA-N 1 0 360.929 4.239 40 0 FIABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000013648971 570782058 /nfs/dbraw/zinc/78/20/58/570782058.db2.gz ZGCMJHQGASJDFT-SFHVURJKSA-N 1 0 360.542 4.134 40 0 FIABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000013648968 570782092 /nfs/dbraw/zinc/78/20/92/570782092.db2.gz ZGCMJHQGASJDFT-GOSISDBHSA-N 1 0 360.542 4.134 40 0 FIABRO Cc1cc(N2CCC(CNc3nccc4cc(Cl)ncc43)CC2)cc[nH+]1 ZINC000328578363 570845499 /nfs/dbraw/zinc/84/54/99/570845499.db2.gz JCPZVEYMUHSDQW-UHFFFAOYSA-N 1 0 367.884 4.315 40 0 FIABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000044848421 570867972 /nfs/dbraw/zinc/86/79/72/570867972.db2.gz MOBUYNKVVRHSQH-WOJBJXKFSA-N 1 0 360.542 4.232 40 0 FIABRO O=C(NCCOc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000018151095 570875724 /nfs/dbraw/zinc/87/57/24/570875724.db2.gz VIXVYKMLENPMIN-UHFFFAOYSA-N 1 0 372.896 4.135 40 0 FIABRO Cn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)cn1 ZINC000019290699 570884766 /nfs/dbraw/zinc/88/47/66/570884766.db2.gz DSMHUVRHIWQJOG-IBGZPJMESA-N 1 0 354.429 4.332 40 0 FIABRO CC[NH+](CC)CCN[C@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000019366443 570887901 /nfs/dbraw/zinc/88/79/01/570887901.db2.gz PBTMTVRHVNGMHO-CQSZACIVSA-N 1 0 353.721 4.038 40 0 FIABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000019455628 570889714 /nfs/dbraw/zinc/88/97/14/570889714.db2.gz SOLADNXPSBPMSJ-MBSDFSHPSA-N 1 0 365.521 4.165 40 0 FIABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000019455624 570889722 /nfs/dbraw/zinc/88/97/22/570889722.db2.gz SOLADNXPSBPMSJ-FDDCHVKYSA-N 1 0 365.521 4.165 40 0 FIABRO CCCn1c(CN(Cc2ccccn2)C[C@H]2CCCO2)nc2ccccc21 ZINC000019526001 570891672 /nfs/dbraw/zinc/89/16/72/570891672.db2.gz PKAXSLWVTGFPSL-LJQANCHMSA-N 1 0 364.493 4.023 40 0 FIABRO COc1cc2c(cc1OC)[C@H](Cc1ccccc1)[NH2+][C@H](c1cccnc1)C2 ZINC000019550757 570892586 /nfs/dbraw/zinc/89/25/86/570892586.db2.gz KJOASYJUWDNFNK-SFTDATJTSA-N 1 0 360.457 4.270 40 0 FIABRO C[N@H+](Cc1ccc2ncccc2c1)Cc1cc(-c2ccccc2)c[nH]c1=O ZINC000019586450 570894990 /nfs/dbraw/zinc/89/49/90/570894990.db2.gz SDBPQVULBOCLED-UHFFFAOYSA-N 1 0 355.441 4.222 40 0 FIABRO Cc1nc2ccc(Cl)cn2c1CN[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000019715706 570899950 /nfs/dbraw/zinc/89/99/50/570899950.db2.gz AWQUQSWBYHADRD-SFHVURJKSA-N 1 0 356.901 4.079 40 0 FIABRO Cc1nn(C)c2nc(C3CC[NH+](Cc4ccccc4Cl)CC3)ccc12 ZINC000019744688 570901878 /nfs/dbraw/zinc/90/18/78/570901878.db2.gz GKEUIRCBQLKKEA-UHFFFAOYSA-N 1 0 354.885 4.310 40 0 FIABRO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000020451088 570916613 /nfs/dbraw/zinc/91/66/13/570916613.db2.gz PBJNIMUUSAPMHT-MRXNPFEDSA-N 1 0 368.477 4.188 40 0 FIABRO Oc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022463137 570944136 /nfs/dbraw/zinc/94/41/36/570944136.db2.gz KBSZKZDILXBWMX-UHFFFAOYSA-N 1 0 358.485 4.299 40 0 in-man FIABRO CC[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024181816 570972561 /nfs/dbraw/zinc/97/25/61/570972561.db2.gz INHJMDGTUMVBGO-JOCHJYFZSA-N 1 0 366.505 4.146 40 0 FIABRO CCc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024189917 570972771 /nfs/dbraw/zinc/97/27/71/570972771.db2.gz FBPSIUUOWYFOAO-UHFFFAOYSA-N 1 0 350.506 4.094 40 0 FIABRO C[C@H](CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000224534621 570992346 /nfs/dbraw/zinc/99/23/46/570992346.db2.gz IGRMTHZWGRZUFZ-QGZVFWFLSA-N 1 0 370.924 4.472 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1cc(C)ccc1C(C)C ZINC000225102425 571014882 /nfs/dbraw/zinc/01/48/82/571014882.db2.gz IWEZEIHKJOSJNK-IBGZPJMESA-N 1 0 360.542 4.268 40 0 FIABRO CCc1ccc(CC)c(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000225152111 571018618 /nfs/dbraw/zinc/01/86/18/571018618.db2.gz UOJMGOPMJSCZCT-UHFFFAOYSA-N 1 0 350.506 4.337 40 0 FIABRO S=C(Nc1ccccc1Cl)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225229770 571022981 /nfs/dbraw/zinc/02/29/81/571022981.db2.gz LBKIBFCSIWJHNC-UHFFFAOYSA-N 1 0 365.955 4.353 40 0 FIABRO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCc2ccccc21 ZINC000039772970 571024086 /nfs/dbraw/zinc/02/40/86/571024086.db2.gz BFIPIRCGNYDUPJ-UHFFFAOYSA-N 1 0 354.881 4.141 40 0 FIABRO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039755512 571024957 /nfs/dbraw/zinc/02/49/57/571024957.db2.gz GIEOHAMLFZENEQ-UHFFFAOYSA-N 1 0 356.441 4.075 40 0 FIABRO O=C(CCc1c(Cl)cccc1Cl)NCCC[NH+]1CCCCCC1 ZINC000225353350 571030157 /nfs/dbraw/zinc/03/01/57/571030157.db2.gz VLKOCGPQYLRFTB-UHFFFAOYSA-N 1 0 357.325 4.308 40 0 FIABRO CCCN(CC)C(=O)c1ccc2c(c1)C1(CCO2)CC[NH+](C(C)C)CC1 ZINC000306135375 571039653 /nfs/dbraw/zinc/03/96/53/571039653.db2.gz OPDVWUNWGHMOGJ-UHFFFAOYSA-N 1 0 358.526 4.083 40 0 FIABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225622647 571050417 /nfs/dbraw/zinc/05/04/17/571050417.db2.gz YBISHAYBQRPIMI-NRFANRHFSA-N 1 0 364.530 4.331 40 0 FIABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000225654698 571053022 /nfs/dbraw/zinc/05/30/22/571053022.db2.gz QCJHMVBIGMWFOH-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO Cc1ccc(OCCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462529 571057772 /nfs/dbraw/zinc/05/77/72/571057772.db2.gz ZKDNZKLQXBAMEE-UHFFFAOYSA-N 1 0 366.505 4.066 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000225709032 571058060 /nfs/dbraw/zinc/05/80/60/571058060.db2.gz QFDYWDNFPCATEA-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000225728995 571060034 /nfs/dbraw/zinc/06/00/34/571060034.db2.gz WVUZWHNHIWSNSU-KBPBESRZSA-N 1 0 373.488 4.360 40 0 FIABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000225736719 571060893 /nfs/dbraw/zinc/06/08/93/571060893.db2.gz VCYVZZKSXAITJA-ZDUSSCGKSA-N 1 0 359.461 4.114 40 0 FIABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225745410 571061604 /nfs/dbraw/zinc/06/16/04/571061604.db2.gz WHRICHBPJYCKGH-NRFANRHFSA-N 1 0 364.530 4.331 40 0 FIABRO Cc1ccc(CCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000225869936 571076630 /nfs/dbraw/zinc/07/66/30/571076630.db2.gz HZGCLLCVVNBBOS-UHFFFAOYSA-N 1 0 366.505 4.348 40 0 FIABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCC1 ZINC000260814698 571123696 /nfs/dbraw/zinc/12/36/96/571123696.db2.gz MKFOKWVQILAGBD-SFHVURJKSA-N 1 0 374.525 4.085 40 0 FIABRO COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1sccc1C)CC2 ZINC000253599069 571138914 /nfs/dbraw/zinc/13/89/14/571138914.db2.gz KPKYAKWTGAVQHA-SFHVURJKSA-N 1 0 374.550 4.010 40 0 FIABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257206110 571149827 /nfs/dbraw/zinc/14/98/27/571149827.db2.gz BBXBGMPSAQHMMK-KRWDZBQOSA-N 1 0 357.498 4.329 40 0 FIABRO Cc1nc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)co1 ZINC000257252715 571154451 /nfs/dbraw/zinc/15/44/51/571154451.db2.gz JVVWKCZWKWMGHL-ONTIZHBOSA-N 1 0 367.493 4.203 40 0 FIABRO C[N@@H+]1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)c1ccccn1 ZINC000257255292 571154818 /nfs/dbraw/zinc/15/48/18/571154818.db2.gz KGYBZRLXINLSAO-FUDKSRODSA-N 1 0 363.505 4.302 40 0 FIABRO Cc1ccc(CNc2cc(-c3c[nH]nc3[C@@H]3CC[N@@H+](C)C3)ccn2)cc1C ZINC000257259057 571155061 /nfs/dbraw/zinc/15/50/61/571155061.db2.gz KWQXNQLLTHTHRB-LJQANCHMSA-N 1 0 361.493 4.120 40 0 FIABRO Cc1ccc(C[NH+]2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1C ZINC000257322729 571161931 /nfs/dbraw/zinc/16/19/31/571161931.db2.gz WHCWMXZTCHOXNC-UHFFFAOYSA-N 1 0 374.492 4.007 40 0 FIABRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c(C)c1C ZINC000072395190 571190756 /nfs/dbraw/zinc/19/07/56/571190756.db2.gz IMNRJLMNFJCOCH-LEWJYISDSA-N 1 0 361.489 4.418 40 0 FIABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000585182577 571238136 /nfs/dbraw/zinc/23/81/36/571238136.db2.gz YDPXJHBKIJJNOK-GOSISDBHSA-N 1 0 372.476 4.036 40 0 FIABRO CCCC[N@H+]1CC=C(c2nn3c(nnc3-c3ccccc3C)s2)CC1 ZINC000226250759 571276064 /nfs/dbraw/zinc/27/60/64/571276064.db2.gz LTBQFNDSSSXJKF-UHFFFAOYSA-N 1 0 353.495 4.050 40 0 FIABRO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009063631 571302645 /nfs/dbraw/zinc/30/26/45/571302645.db2.gz GEXOBKWDMXOBBU-UHFFFAOYSA-N 1 0 370.468 4.464 40 0 FIABRO Clc1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4ccccn4)C3)n[nH]2)cc1 ZINC000019696180 571304358 /nfs/dbraw/zinc/30/43/58/571304358.db2.gz YYIIPVDYYSHQJV-OAHLLOKOSA-N 1 0 368.868 4.027 40 0 FIABRO Cc1ccc2c(cc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)n2C)c1 ZINC000141573034 571307277 /nfs/dbraw/zinc/30/72/77/571307277.db2.gz VUJARNPCGZXDHM-UHFFFAOYSA-N 1 0 367.537 4.405 40 0 FIABRO CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCC[NH2+]2)n1 ZINC000257281166 571321795 /nfs/dbraw/zinc/32/17/95/571321795.db2.gz ONXOUKGJUVUQTQ-OAHLLOKOSA-N 1 0 350.388 4.043 40 0 FIABRO COCCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257245849 1093881601 /nfs/dbraw/zinc/88/16/01/1093881601.db2.gz IRHVBODWSZRWMZ-GOSISDBHSA-N 1 0 367.493 4.185 40 0 FIABRO CC(C)(C)OC(=O)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000261507111 210007636 /nfs/dbraw/zinc/00/76/36/210007636.db2.gz FKQOHTOQWWEIPM-UHFFFAOYSA-N 1 0 374.525 4.067 40 0 FIABRO CC(C)c1ccc(O)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000257341189 210005100 /nfs/dbraw/zinc/00/51/00/210005100.db2.gz ZJFUXNIBEMBAJR-UHFFFAOYSA-N 1 0 352.478 4.041 40 0 FIABRO FC(F)(F)c1ccc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245614 209143854 /nfs/dbraw/zinc/14/38/54/209143854.db2.gz VYQLLCDAZLDPDV-OALUTQOASA-N 1 0 360.423 4.269 40 0 FIABRO C[C@H]1C[C@@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242452 209143252 /nfs/dbraw/zinc/14/32/52/209143252.db2.gz BKFQWENQZBTOIE-RXVVDRJESA-N 1 0 366.549 4.209 40 0 FIABRO COc1cccc(N[C@@H]2COC3(C2)CC[NH+](Cc2ccc(C)s2)CC3)c1 ZINC000096221395 209138218 /nfs/dbraw/zinc/13/82/18/209138218.db2.gz CYKACSFSFLTNRA-SFHVURJKSA-N 1 0 372.534 4.301 40 0 FIABRO Cc1noc(C)c1CN1CCC[C@@]2(CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000096216001 209135995 /nfs/dbraw/zinc/13/59/95/209135995.db2.gz ZFEIZNGRGAALSB-JOCHJYFZSA-N 1 0 353.510 4.088 40 0 FIABRO Cc1occc1C(=O)N1CCC2(CC([N@H+](C)Cc3cccs3)C2)CC1 ZINC000096159280 209128186 /nfs/dbraw/zinc/12/81/86/209128186.db2.gz DQZGRPJRCIZMNN-UHFFFAOYSA-N 1 0 358.507 4.166 40 0 FIABRO O=C(/C=C/c1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850051 207210407 /nfs/dbraw/zinc/21/04/07/207210407.db2.gz FLJXDGKUJNZWFZ-JLHYYAGUSA-N 1 0 352.453 4.141 40 0 FIABRO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008337038 207230423 /nfs/dbraw/zinc/23/04/23/207230423.db2.gz QUCRVSIDRFHUSI-MRXNPFEDSA-N 1 0 354.277 4.433 40 0 FIABRO COc1c(Br)cc(Br)cc1C[NH2+]C1CCCC1 ZINC000008469442 207233534 /nfs/dbraw/zinc/23/35/34/207233534.db2.gz DWOWVCUOQLDWOJ-UHFFFAOYSA-N 1 0 363.093 4.252 40 0 FIABRO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036390369 207282605 /nfs/dbraw/zinc/28/26/05/207282605.db2.gz IUXWWYNSGXOWSA-AYLUNBTKSA-N 1 0 370.493 4.310 40 0 FIABRO O=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000036585210 207284868 /nfs/dbraw/zinc/28/48/68/207284868.db2.gz XGQJJHMAEVRMPC-UYWIDEMCSA-N 1 0 351.494 4.114 40 0 FIABRO C[N@@H+](Cc1cccc2ncccc12)Cc1cc(-c2ccc(F)cc2)c[nH]c1=O ZINC000012187349 207346204 /nfs/dbraw/zinc/34/62/04/207346204.db2.gz IRNWSRSQJVLYPU-UHFFFAOYSA-N 1 0 373.431 4.361 40 0 FIABRO Cc1csc2c(C3CC[NH+](CCOc4ccccc4F)CC3)nc(C)n12 ZINC000012087560 207336657 /nfs/dbraw/zinc/33/66/57/207336657.db2.gz RCZZKORIQUWSLW-UHFFFAOYSA-N 1 0 373.497 4.410 40 0 FIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1OC ZINC000012088983 207337459 /nfs/dbraw/zinc/33/74/59/207337459.db2.gz FYHHTUHNZUTAER-UBBRYJJRSA-N 1 0 352.478 4.161 40 0 FIABRO Cc1c(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)[nH]c2ccccc12 ZINC000012119274 207338962 /nfs/dbraw/zinc/33/89/62/207338962.db2.gz GNGYREXTQSBRFC-INIZCTEOSA-N 1 0 361.445 4.221 40 0 FIABRO CC[N@@H+]1CCC[C@H]1CNc1ncc(-c2ccncc2)c(-c2ccoc2C)n1 ZINC000012222130 207349819 /nfs/dbraw/zinc/34/98/19/207349819.db2.gz MCAVBWKNNZNAMZ-KRWDZBQOSA-N 1 0 363.465 4.003 40 0 FIABRO Fc1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]C[C@@H]3CCCO3)c2)cc1 ZINC000012337328 207363201 /nfs/dbraw/zinc/36/32/01/207363201.db2.gz BDDZVFCGOFFZSL-NRFANRHFSA-N 1 0 363.436 4.218 40 0 FIABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000030755124 208004651 /nfs/dbraw/zinc/00/46/51/208004651.db2.gz HTGICZVNLJPYDU-VQTJNVASSA-N 1 0 360.542 4.232 40 0 FIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc3cccnc32)o1 ZINC000036740252 208171034 /nfs/dbraw/zinc/17/10/34/208171034.db2.gz HZHLDXGQYQZRJZ-UHFFFAOYSA-N 1 0 360.461 4.425 40 0 FIABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCCCC1 ZINC000038832689 208206489 /nfs/dbraw/zinc/20/64/89/208206489.db2.gz XRRXYNAOSYOMSQ-HNNXBMFYSA-N 1 0 355.309 4.218 40 0 FIABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000038850212 208209051 /nfs/dbraw/zinc/20/90/51/208209051.db2.gz VCGJEOIBQGFXBL-INIZCTEOSA-N 1 0 358.869 4.199 40 0 FIABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096052700 209102935 /nfs/dbraw/zinc/10/29/35/209102935.db2.gz IOSAZBZMQGNOHX-SFHVURJKSA-N 1 0 368.546 4.248 40 0 FIABRO CN(C)c1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000072337864 208835071 /nfs/dbraw/zinc/83/50/71/208835071.db2.gz VCFQAMJNDXRJDL-ZRNYENFQSA-N 1 0 370.928 4.258 40 0 FIABRO CC(C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328995065 132372338 /nfs/dbraw/zinc/37/23/38/132372338.db2.gz JFRPKBMUWLELQK-OAHLLOKOSA-N 1 0 354.498 4.036 40 0 FIABRO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010336125 263364885 /nfs/dbraw/zinc/36/48/85/263364885.db2.gz WAPXLYRMYXINDO-UHFFFAOYSA-N 1 0 366.461 4.102 40 0 FIABRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(F)cc3)o2)cc1 ZINC000022076832 263384752 /nfs/dbraw/zinc/38/47/52/263384752.db2.gz FWZBMQKDJVPEMN-UHFFFAOYSA-N 1 0 353.393 4.205 40 0 FIABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020105866 523047035 /nfs/dbraw/zinc/04/70/35/523047035.db2.gz UHWODROUNVNPJC-JOCHJYFZSA-N 1 0 368.521 4.380 40 0 FIABRO Cc1cc(C)nc(Nc2cncc(C3CC[NH+](Cc4ccccc4)CC3)n2)n1 ZINC000257279806 524595541 /nfs/dbraw/zinc/59/55/41/524595541.db2.gz OIGAYGONANQHCJ-UHFFFAOYSA-N 1 0 374.492 4.007 40 0 FIABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccccc2Cl)C3)cc1 ZINC000096269404 560054250 /nfs/dbraw/zinc/05/42/50/560054250.db2.gz JVQQEMCOLJLKAF-SFHVURJKSA-N 1 0 367.880 4.201 40 0 biogenic,in-vitro FIABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000022074934 568203599 /nfs/dbraw/zinc/20/35/99/568203599.db2.gz MWFDFEHKUAQSBZ-UHFFFAOYSA-N 1 0 356.510 4.014 40 0 FIABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000022074936 568203602 /nfs/dbraw/zinc/20/36/02/568203602.db2.gz OLJBUDZOGJTQJB-UHFFFAOYSA-N 1 0 356.510 4.014 40 0 FIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc2ccccc2n1 ZINC000022931812 568314463 /nfs/dbraw/zinc/31/44/63/568314463.db2.gz MDFJGFSMTZUUKP-JOCHJYFZSA-N 1 0 360.505 4.116 40 0 FIABRO c1nc(Nc2cc(CC3CC[NH2+]CC3)ccn2)sc1-c1ccccc1 ZINC000585262904 570481828 /nfs/dbraw/zinc/48/18/28/570481828.db2.gz DBVJKSYMTICXOK-UHFFFAOYSA-N 1 0 350.491 4.491 40 0 FIABRO COc1ccc(C[NH2+]Cc2ccc(Br)cc2)c(OC)c1C ZINC000002760488 570530910 /nfs/dbraw/zinc/53/09/10/570530910.db2.gz RJJYWFIMXCQQDR-UHFFFAOYSA-N 1 0 350.256 4.065 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C ZINC000260449457 570626874 /nfs/dbraw/zinc/62/68/74/570626874.db2.gz YAWARCUBOVDMAF-PMACEKPBSA-N 1 0 360.542 4.150 40 0 FIABRO Cc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000012292304 570732361 /nfs/dbraw/zinc/73/23/61/570732361.db2.gz OBPJSNXQYFOVPB-HSZRJFAPSA-N 1 0 361.485 4.165 40 0 FIABRO COc1ccc(C2([NH2+]Cc3cnc(N4CCCCC4)nc3)CCCC2)cc1 ZINC000012328676 570737424 /nfs/dbraw/zinc/73/74/24/570737424.db2.gz JAMOZMOLEMFERF-UHFFFAOYSA-N 1 0 366.509 4.035 40 0 FIABRO CC(C)C(NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)C(C)C ZINC000009063291 570797188 /nfs/dbraw/zinc/79/71/88/570797188.db2.gz KGVKIKDWQJJTRJ-UHFFFAOYSA-N 1 0 350.934 4.349 40 0 FIABRO Fc1cccc(CN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)c1 ZINC000013989729 570840704 /nfs/dbraw/zinc/84/07/04/570840704.db2.gz AMJAHIYNLORIIB-UHFFFAOYSA-N 1 0 350.393 4.152 40 0 FIABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C3CCSCC3)cc2n1 ZINC000019116831 570880251 /nfs/dbraw/zinc/88/02/51/570880251.db2.gz DCEHVJLFPQKODK-AWEZNQCLSA-N 1 0 370.444 4.089 40 0 FIABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C3CCSCC3)cc2n1 ZINC000019116834 570880358 /nfs/dbraw/zinc/88/03/58/570880358.db2.gz DCEHVJLFPQKODK-CQSZACIVSA-N 1 0 370.444 4.089 40 0 FIABRO Cc1cc2nc([C@@H]3CC[N@H+](Cc4ccccc4)C3)cc(C(F)(F)F)n2n1 ZINC000019129113 570880712 /nfs/dbraw/zinc/88/07/12/570880712.db2.gz QCZMLHBEXBICMJ-OAHLLOKOSA-N 1 0 360.383 4.046 40 0 FIABRO Cc1ccc([C@@H](O)C[N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)c(C)c1 ZINC000019132530 570880925 /nfs/dbraw/zinc/88/09/25/570880925.db2.gz MJCAUBXSJYOKQJ-FQEVSTJZSA-N 1 0 366.436 4.189 40 0 FIABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000195645845 570882164 /nfs/dbraw/zinc/88/21/64/570882164.db2.gz RVWBIJVQHWGJMQ-UHFFFAOYSA-N 1 0 352.478 4.078 40 0 FIABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](c3nc(C)n4ccccc34)C2)c1 ZINC000019240666 570883992 /nfs/dbraw/zinc/88/39/92/570883992.db2.gz DKWMRFTYLCZNCT-KRWDZBQOSA-N 1 0 365.477 4.040 40 0 FIABRO Clc1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000019335650 570886311 /nfs/dbraw/zinc/88/63/11/570886311.db2.gz JYBQSLFUPPYCEW-CQSZACIVSA-N 1 0 351.841 4.013 40 0 FIABRO Clc1ccccc1C[NH+]1CCC(c2nnc(-c3ccncc3)o2)CC1 ZINC000019348925 570886856 /nfs/dbraw/zinc/88/68/56/570886856.db2.gz XADAJPXQZVGCSC-UHFFFAOYSA-N 1 0 354.841 4.165 40 0 FIABRO COc1cccc(Nc2nc(C3CC[NH2+]CC3)c3sc(C)c(C)n23)c1 ZINC000019561823 570893661 /nfs/dbraw/zinc/89/36/61/570893661.db2.gz YOFMCHJJESMUSP-UHFFFAOYSA-N 1 0 356.495 4.232 40 0 FIABRO COc1cccc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)c1OC1CCCC1 ZINC000019568161 570894004 /nfs/dbraw/zinc/89/40/04/570894004.db2.gz LJJYLZIJLYWRED-HSZRJFAPSA-N 1 0 367.489 4.110 40 0 FIABRO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(COc2ccccn2)CC1 ZINC000019565480 570894016 /nfs/dbraw/zinc/89/40/16/570894016.db2.gz KEENVLSQXDKQCJ-UHFFFAOYSA-N 1 0 353.441 4.301 40 0 FIABRO Cc1c2ccccc2oc1C[NH2+][C@@H](C)c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019566424 570894168 /nfs/dbraw/zinc/89/41/68/570894168.db2.gz XXYOVZYSQRNBGM-AWEZNQCLSA-N 1 0 360.417 4.150 40 0 FIABRO C[NH+](C)CCN(Cc1cccs1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000019582666 570895023 /nfs/dbraw/zinc/89/50/23/570895023.db2.gz OYLZJQZYRMSFBW-UHFFFAOYSA-N 1 0 374.941 4.355 40 0 FIABRO CN(C(=O)C1CCCCC1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590845 570895688 /nfs/dbraw/zinc/89/56/88/570895688.db2.gz XRCMIIZEPADCEX-UHFFFAOYSA-N 1 0 370.537 4.231 40 0 FIABRO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000224008373 570974419 /nfs/dbraw/zinc/97/44/19/570974419.db2.gz VWOGPMVYFLJMPM-UHFFFAOYSA-N 1 0 366.505 4.098 40 0 FIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1 ZINC000224331233 570984719 /nfs/dbraw/zinc/98/47/19/570984719.db2.gz DRJYVZLFASIKDO-UHFFFAOYSA-N 1 0 354.469 4.030 40 0 FIABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623941 570995193 /nfs/dbraw/zinc/99/51/93/570995193.db2.gz SBTGGWPHZCUAAI-JOCHJYFZSA-N 1 0 366.505 4.065 40 0 FIABRO COc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224705578 570998284 /nfs/dbraw/zinc/99/82/84/570998284.db2.gz XPFKDMNOQAESKP-UHFFFAOYSA-N 1 0 353.466 4.003 40 0 FIABRO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787363 571000844 /nfs/dbraw/zinc/00/08/44/571000844.db2.gz DQOQVUYKMSHGGW-OAQYLSRUSA-N 1 0 366.505 4.065 40 0 FIABRO Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000224851176 571002710 /nfs/dbraw/zinc/00/27/10/571002710.db2.gz XMLILPRQVUROBA-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000225200201 571021581 /nfs/dbraw/zinc/02/15/81/571021581.db2.gz WIRMDXVXKUCXPI-KRWDZBQOSA-N 1 0 368.496 4.478 40 0 FIABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225533930 571043540 /nfs/dbraw/zinc/04/35/40/571043540.db2.gz DSXGPYGUHODAKG-UHFFFAOYSA-N 1 0 366.505 4.468 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000225582050 571047064 /nfs/dbraw/zinc/04/70/64/571047064.db2.gz GRQMZNBOOJUKJG-AWEZNQCLSA-N 1 0 357.926 4.420 40 0 FIABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225622681 571050426 /nfs/dbraw/zinc/05/04/26/571050426.db2.gz DFEBPPGMRODSPQ-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225650619 571052554 /nfs/dbraw/zinc/05/25/54/571052554.db2.gz KJERBRHEYPSQRO-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000225728153 571060068 /nfs/dbraw/zinc/06/00/68/571060068.db2.gz CHLQNXMHHFDUBI-KBPBESRZSA-N 1 0 369.962 4.003 40 0 FIABRO Clc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329007587 571107193 /nfs/dbraw/zinc/10/71/93/571107193.db2.gz LLHQNIUWSWCZFB-UHFFFAOYSA-N 1 0 356.901 4.208 40 0 FIABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260747045 571121616 /nfs/dbraw/zinc/12/16/16/571121616.db2.gz ZSRULTRFQGDXPX-OALUTQOASA-N 1 0 360.542 4.124 40 0 FIABRO CC[C@H](C)[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421021 571149623 /nfs/dbraw/zinc/14/96/23/571149623.db2.gz MAFLQVRDBZMBBE-FXAWDEMLSA-N 1 0 357.519 4.064 40 0 FIABRO Cc1c[nH]c(-c2cc([C@H]3CCC[N@H+](Cc4ccccc4F)C3)nc(C)n2)n1 ZINC000257238444 571153089 /nfs/dbraw/zinc/15/30/89/571153089.db2.gz HLABVOMIDUOOHK-KRWDZBQOSA-N 1 0 365.456 4.002 40 0 FIABRO Cc1cc(C)nc(Nc2ccc([C@@H]3CCCCN3Cc3cccnc3)cn2)n1 ZINC000257238377 571153169 /nfs/dbraw/zinc/15/31/69/571153169.db2.gz HKSJNYVZKIKQEU-FQEVSTJZSA-N 1 0 374.492 4.354 40 0 FIABRO O=C1O[C@@]2(CN1Cc1ccccc1)CCC[N@@H+](Cc1ccccc1F)CC2 ZINC000257265498 571156106 /nfs/dbraw/zinc/15/61/06/571156106.db2.gz LYWPLRZKZIRLIW-QFIPXVFZSA-N 1 0 368.452 4.203 40 0 FIABRO CC(C)CCC[C@@]1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[NH2+]C[C@H]3C[C@H]21 ZINC000257305951 571160170 /nfs/dbraw/zinc/16/01/70/571160170.db2.gz SSFQEMVRYOWJBR-XUKPVSMISA-N 1 0 359.510 4.425 40 0 FIABRO Cc1noc(C)c1C(=O)Nc1ccc(CC[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000072335298 571179041 /nfs/dbraw/zinc/17/90/41/571179041.db2.gz WUCVKGXWHXZAPW-KBXCAEBGSA-N 1 0 355.482 4.064 40 0 FIABRO c1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]Cc3cccnc3)c2)cc1 ZINC000072343212 571179749 /nfs/dbraw/zinc/17/97/49/571179749.db2.gz RBNJJHXMPDLPRO-UHFFFAOYSA-N 1 0 352.441 4.495 40 0 FIABRO OCc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348845 571180360 /nfs/dbraw/zinc/18/03/60/571180360.db2.gz ZZTYRKAJQCDFPA-NRFANRHFSA-N 1 0 359.473 4.016 40 0 FIABRO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072350103 571181665 /nfs/dbraw/zinc/18/16/65/571181665.db2.gz XKRLPJRKUPYDFR-LJQANCHMSA-N 1 0 366.505 4.039 40 0 FIABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072350094 571181725 /nfs/dbraw/zinc/18/17/25/571181725.db2.gz STDCJOZGFPKCJO-GOSISDBHSA-N 1 0 354.469 4.170 40 0 FIABRO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072355522 571182312 /nfs/dbraw/zinc/18/23/12/571182312.db2.gz XNVDQWVKMOKSNP-KRWDZBQOSA-N 1 0 353.514 4.298 40 0 FIABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072354330 571182422 /nfs/dbraw/zinc/18/24/22/571182422.db2.gz KPNHKVUSNLGJBB-HXUWFJFHSA-N 1 0 373.504 4.346 40 0 FIABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000072359245 571183801 /nfs/dbraw/zinc/18/38/01/571183801.db2.gz GZCBYYKDEWLJKI-IBGZPJMESA-N 1 0 361.493 4.165 40 0 FIABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000072369946 571184931 /nfs/dbraw/zinc/18/49/31/571184931.db2.gz UOYANZAEXYWYSI-HNNXBMFYSA-N 1 0 355.388 4.313 40 0 FIABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072379067 571187347 /nfs/dbraw/zinc/18/73/47/571187347.db2.gz BAHRSIPDOSGRBL-LJQANCHMSA-N 1 0 361.493 4.165 40 0 FIABRO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH+](Cc2cccnc2)CC1 ZINC000306122972 571212825 /nfs/dbraw/zinc/21/28/25/571212825.db2.gz ABDQEWVOTPIEEB-UHFFFAOYSA-N 1 0 374.488 4.410 40 0 FIABRO c1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)cc1 ZINC000585105465 571223687 /nfs/dbraw/zinc/22/36/87/571223687.db2.gz XAXFBJOCCQWHRB-JOCHJYFZSA-N 1 0 366.505 4.060 40 0 FIABRO Cc1cc(Nc2ncccn2)cc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000585176602 571237905 /nfs/dbraw/zinc/23/79/05/571237905.db2.gz QHKZROBZWHRQAU-GOSISDBHSA-N 1 0 363.509 4.459 40 0 FIABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000585182581 571238392 /nfs/dbraw/zinc/23/83/92/571238392.db2.gz ZEUZGAJSYASKFB-QGZVFWFLSA-N 1 0 372.476 4.036 40 0 FIABRO FC(F)(F)c1cc(-c2noc(C3CC[NH2+]CC3)n2)cc(C(F)(F)F)c1 ZINC000228939642 571278301 /nfs/dbraw/zinc/27/83/01/571278301.db2.gz OLKVNOFANDNDIY-UHFFFAOYSA-N 1 0 365.277 4.241 40 0 FIABRO CC[N@H+](CC(C)C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(C)=O)CC2)C1 ZINC000019712766 571304595 /nfs/dbraw/zinc/30/45/95/571304595.db2.gz XOPHPRJKXYSCTO-VXKWHMMOSA-N 1 0 372.553 4.266 40 0 FIABRO CCN(C(C)=O)[C@H]1C[C@@H](c2ccccc2)OC2(CC[NH+](CC(C)C)CC2)C1 ZINC000019712844 571304666 /nfs/dbraw/zinc/30/46/66/571304666.db2.gz LVEVYTLNTKSRSX-VXKWHMMOSA-N 1 0 372.553 4.266 40 0 FIABRO CC(C)(C)OC(=O)NCC1(Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000255187749 571321084 /nfs/dbraw/zinc/32/10/84/571321084.db2.gz GNKZUSUFRLNVPL-UHFFFAOYSA-N 1 0 372.431 4.142 40 0 FIABRO C[NH+](C)C[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Br ZINC000211354063 1086289756 /nfs/dbraw/zinc/28/97/56/1086289756.db2.gz OYYMRUNBKWKYBX-MSOLQXFVSA-N 1 0 362.267 4.030 40 0 FIABRO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062856 1088868436 /nfs/dbraw/zinc/86/84/36/1088868436.db2.gz BTSSTDRUTRLEIP-LJQANCHMSA-N 1 0 350.506 4.036 40 0 FIABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225626495 209824332 /nfs/dbraw/zinc/82/43/32/209824332.db2.gz ISAUOBOSQCFHNR-SFHVURJKSA-N 1 0 374.525 4.228 40 0 FIABRO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000224847593 209794341 /nfs/dbraw/zinc/79/43/41/209794341.db2.gz MLYUXCHXNHVIHG-GOSISDBHSA-N 1 0 366.505 4.093 40 0 FIABRO Cc1ccccc1O[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836246 209794448 /nfs/dbraw/zinc/79/44/48/209794448.db2.gz YTUOQLMJQPGKPY-LJQANCHMSA-N 1 0 366.505 4.065 40 0 FIABRO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224791509 209792386 /nfs/dbraw/zinc/79/23/86/209792386.db2.gz QGGWKMGDCBGERY-JOCHJYFZSA-N 1 0 366.505 4.065 40 0 FIABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000226170341 209366384 /nfs/dbraw/zinc/36/63/84/209366384.db2.gz ZANHFFQEVFCQHR-ZRCGQRJVSA-N 1 0 367.533 4.174 40 0 FIABRO CC(C)[NH2+]C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000226069650 209365973 /nfs/dbraw/zinc/36/59/73/209365973.db2.gz XBTGYBNJJAPLRR-IBGZPJMESA-N 1 0 365.558 4.155 40 0 FIABRO C[C@H]([NH3+])c1sc(Br)c(Br)c1Br ZINC000096525479 209154912 /nfs/dbraw/zinc/15/49/12/209154912.db2.gz NSBXAVICYCLWQN-REOHCLBHSA-N 1 0 363.900 4.055 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCCO)c4ccccc43)CC2)s1 ZINC000096241580 209142947 /nfs/dbraw/zinc/14/29/47/209142947.db2.gz FZWSWCBRKXHXIM-FQEVSTJZSA-N 1 0 357.519 4.044 40 0 FIABRO CC(C)C[NH+]1CCC2(CC1)C[C@H](NCc1ccccn1)c1ccccc1O2 ZINC000096242837 209143003 /nfs/dbraw/zinc/14/30/03/209143003.db2.gz YIHLKENHIOSMPK-NRFANRHFSA-N 1 0 365.521 4.186 40 0 FIABRO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](CCc2ccccc2)C[C@H]1C ZINC000004213748 207007611 /nfs/dbraw/zinc/00/76/11/207007611.db2.gz MLQRZXNZHAOCHQ-DENIHFKCSA-N 1 0 350.506 4.383 40 0 in-man FIABRO CC[C@]1(C[NH+]2CCCCC2)COc2c(Br)cc(C)cc2C1=O ZINC000005468353 207102531 /nfs/dbraw/zinc/10/25/31/207102531.db2.gz UEIBHXXTWOQDDB-SFHVURJKSA-N 1 0 366.299 4.215 40 0 FIABRO COc1cc(C[N@H+](C)CCc2ccccn2)ccc1OCc1ccccc1 ZINC000005810271 207117797 /nfs/dbraw/zinc/11/77/97/207117797.db2.gz SUFWINVWLQXKPI-UHFFFAOYSA-N 1 0 362.473 4.344 40 0 FIABRO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccc(Cl)nc1 ZINC000007275020 207192325 /nfs/dbraw/zinc/19/23/25/207192325.db2.gz NFGUEAMNRSGZRA-UHFFFAOYSA-N 1 0 369.852 4.007 40 0 FIABRO O=C(COc1cccc(Cl)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850531 207209636 /nfs/dbraw/zinc/20/96/36/207209636.db2.gz GVWYUZZQOSYEHY-UHFFFAOYSA-N 1 0 372.896 4.021 40 0 FIABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000009888655 207289964 /nfs/dbraw/zinc/28/99/64/207289964.db2.gz QTOATLXQMTXJDS-UHFFFAOYSA-N 1 0 366.505 4.098 40 0 FIABRO Cc1c(C[N@@H+](C)Cc2cc(=O)[nH]c3ccccc23)cnn1Cc1ccccc1 ZINC000012188438 207346996 /nfs/dbraw/zinc/34/69/96/207346996.db2.gz JRRZQUXOSFYRER-UHFFFAOYSA-N 1 0 372.472 4.126 40 0 FIABRO COc1cc(C)c(C[NH+]2CCC(c3cc4cccnc4[nH]3)CC2)cc1OC ZINC000012133397 207340920 /nfs/dbraw/zinc/34/09/20/207340920.db2.gz DZQUORYVKPVTPR-UHFFFAOYSA-N 1 0 365.477 4.268 40 0 FIABRO Cc1cc(-c2snnc2C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)on1 ZINC000012223970 207349485 /nfs/dbraw/zinc/34/94/85/207349485.db2.gz RYTDIAUTYAMEDD-CQSZACIVSA-N 1 0 368.506 4.485 40 0 FIABRO C[C@@H]1CCC[N@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012228287 207349970 /nfs/dbraw/zinc/34/99/70/207349970.db2.gz ZXTPURZDVBCULL-OAHLLOKOSA-N 1 0 356.470 4.075 40 0 FIABRO Cc1cc(-c2snnc2C2CC[NH+](CCCc3ccccc3)CC2)on1 ZINC000012223961 207350117 /nfs/dbraw/zinc/35/01/17/207350117.db2.gz ANNBHFBGELAGHD-UHFFFAOYSA-N 1 0 368.506 4.314 40 0 FIABRO CC[NH+](CC)CCn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 ZINC000012233913 207350377 /nfs/dbraw/zinc/35/03/77/207350377.db2.gz JKGWXNJHYQWUSS-UHFFFAOYSA-N 1 0 373.859 4.402 40 0 FIABRO COc1ccc2[nH]c(C[NH+]3CCC(O)(c4ccc(C)cc4)CC3)c(C)c2c1 ZINC000012292926 207353205 /nfs/dbraw/zinc/35/32/05/207353205.db2.gz HOPXCRGIKVYBBH-UHFFFAOYSA-N 1 0 364.489 4.277 40 0 FIABRO CCOC(=O)C(C[NH2+]Cc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000031961897 208020188 /nfs/dbraw/zinc/02/01/88/208020188.db2.gz BSIMZGJLVUAINP-UHFFFAOYSA-N 1 0 359.469 4.326 40 0 FIABRO O=C(Nc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035314243 208121400 /nfs/dbraw/zinc/12/14/00/208121400.db2.gz GUPSCVMIMKLGFE-IHWFROFDSA-N 1 0 353.441 4.143 40 0 FIABRO COc1cccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000036740522 208172283 /nfs/dbraw/zinc/17/22/83/208172283.db2.gz DCZWVHUODNIZMH-UHFFFAOYSA-N 1 0 367.537 4.402 40 0 FIABRO CC(C)(C)SCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038852172 208208415 /nfs/dbraw/zinc/20/84/15/208208415.db2.gz SILAZCKKSKLMSZ-INIZCTEOSA-N 1 0 368.974 4.200 40 0 FIABRO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848702 208209028 /nfs/dbraw/zinc/20/90/28/208209028.db2.gz XDQWHJITONPMHJ-LJQANCHMSA-N 1 0 356.897 4.177 40 0 FIABRO CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1[NH+](Cc1ccco1)Cc1ccco1 ZINC000077262241 208197504 /nfs/dbraw/zinc/19/75/04/208197504.db2.gz PHYKURYVKVSCAV-QRWLVFNGSA-N 1 0 370.449 4.013 40 0 biogenic,in-vitro FIABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc(F)cc1 ZINC000043277667 208304965 /nfs/dbraw/zinc/30/49/65/208304965.db2.gz IFILNRWVPZVZCM-UHFFFAOYSA-N 1 0 353.441 4.123 40 0 FIABRO CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873166 208319696 /nfs/dbraw/zinc/31/96/96/208319696.db2.gz VLJMTZULXLCFMM-QFIPXVFZSA-N 1 0 366.505 4.065 40 0 FIABRO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873171 208319908 /nfs/dbraw/zinc/31/99/08/208319908.db2.gz VLJMTZULXLCFMM-JOCHJYFZSA-N 1 0 366.505 4.065 40 0 FIABRO O=C(CCSc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857211 208320071 /nfs/dbraw/zinc/32/00/71/208320071.db2.gz CNETWQDWSDYUSA-UHFFFAOYSA-N 1 0 354.519 4.081 40 0 FIABRO O=C(CCSCc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872505 208320253 /nfs/dbraw/zinc/32/02/53/208320253.db2.gz FTBUWNMPWOMTDR-UHFFFAOYSA-N 1 0 368.546 4.222 40 0 FIABRO Cc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044909459 208321686 /nfs/dbraw/zinc/32/16/86/208321686.db2.gz BICYUNVEMNAMQO-NRFANRHFSA-N 1 0 368.496 4.095 40 0 FIABRO O=C(NCc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044932022 208322861 /nfs/dbraw/zinc/32/28/61/208322861.db2.gz ADIJKQSBBUBFPL-KRWDZBQOSA-N 1 0 360.860 4.008 40 0 FIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096053067 209102709 /nfs/dbraw/zinc/10/27/09/209102709.db2.gz UOCZJOIBIRFCDS-LJQANCHMSA-N 1 0 354.538 4.176 40 0 FIABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccco1)CC2 ZINC000096052524 209103293 /nfs/dbraw/zinc/10/32/93/209103293.db2.gz DFIWSRISHXRFEP-UHFFFAOYSA-N 1 0 372.468 4.360 40 0 FIABRO c1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccnc5ccccc45)C3)n2)cc1 ZINC000072369833 208839505 /nfs/dbraw/zinc/83/95/05/208839505.db2.gz FONCFMVCKPGQPT-GOSISDBHSA-N 1 0 356.429 4.274 40 0 FIABRO CC[NH+](CC)CCCNC(=O)c1cc2c(c3ccccc3n2C)n1C(C)C ZINC000096037278 209097410 /nfs/dbraw/zinc/09/74/10/209097410.db2.gz XSYSEJMEKUMTAR-UHFFFAOYSA-N 1 0 368.525 4.176 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C)nn4)CC3)CC2)s1 ZINC000096047351 132217231 /nfs/dbraw/zinc/21/72/31/132217231.db2.gz MHXGPXUCNNZPOF-UHFFFAOYSA-N 1 0 356.539 4.038 40 0 FIABRO COc1cc2c(cc1OC)CN(c1cc(NC(C)C)[nH+]c(C(C)C)n1)CC2 ZINC000328984897 132372087 /nfs/dbraw/zinc/37/20/87/132372087.db2.gz HQGNFCZFLPOUNF-UHFFFAOYSA-N 1 0 370.497 4.000 40 0 FIABRO CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(NCc2ccccc2)[nH+]1 ZINC000328984531 132372174 /nfs/dbraw/zinc/37/21/74/132372174.db2.gz HOTHITBGBHCAJH-QGZVFWFLSA-N 1 0 358.489 4.024 40 0 FIABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000001664914 263144216 /nfs/dbraw/zinc/14/42/16/263144216.db2.gz LBIAQAQGJAIYBG-UHFFFAOYSA-N 1 0 369.465 4.138 40 0 FIABRO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039748229 263399419 /nfs/dbraw/zinc/39/94/19/263399419.db2.gz UPVIKJLQBVBZHF-UHFFFAOYSA-N 1 0 364.533 4.264 40 0 FIABRO CCOc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020451598 520998052 /nfs/dbraw/zinc/99/80/52/520998052.db2.gz AWTBUSKOHFWLSM-SFHVURJKSA-N 1 0 366.505 4.247 40 0 FIABRO COc1ccccc1CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020104823 524432615 /nfs/dbraw/zinc/43/26/15/524432615.db2.gz KGVBTOQOODDKCY-GOSISDBHSA-N 1 0 366.505 4.199 40 0 FIABRO Cc1ccc(C[N@@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000085435949 560071610 /nfs/dbraw/zinc/07/16/10/560071610.db2.gz VXWUYAMRSYLREV-LJQANCHMSA-N 1 0 365.395 4.294 40 0 biogenic,in-vitro FIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc2ncccc2c1 ZINC000022931765 568314471 /nfs/dbraw/zinc/31/44/71/568314471.db2.gz DRYBZIRPPHXNKA-QFIPXVFZSA-N 1 0 360.505 4.116 40 0 FIABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000585260856 570480457 /nfs/dbraw/zinc/48/04/57/570480457.db2.gz MRDULJAXHBJNIU-MRXNPFEDSA-N 1 0 369.415 4.256 40 0 FIABRO Fc1ccc(-c2cnc(Nc3ccc(C[C@H]4CC[NH2+]C4)cn3)s2)cc1 ZINC000585262866 570482001 /nfs/dbraw/zinc/48/20/01/570482001.db2.gz MPPGLFSGYSXSFK-CQSZACIVSA-N 1 0 354.454 4.240 40 0 FIABRO COc1ccc([C@](O)(CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000001615842 570503086 /nfs/dbraw/zinc/50/30/86/570503086.db2.gz UUCSWCWLOMQFPY-SKPFHBQLSA-N 1 0 365.517 4.443 40 0 FIABRO O=C(c1ccc(F)cc1)N(CC[NH+]1CCCC1)c1nc2ccccc2s1 ZINC000004968548 570675747 /nfs/dbraw/zinc/67/57/47/570675747.db2.gz MVJSLDNQXMCRHY-UHFFFAOYSA-N 1 0 369.465 4.178 40 0 FIABRO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)c1 ZINC000008685976 570684709 /nfs/dbraw/zinc/68/47/09/570684709.db2.gz LHDQWAIRSMDBRU-AYHJJNSGSA-N 1 0 369.534 4.378 40 0 FIABRO COc1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)ccc1OC(C)C ZINC000012344345 570738152 /nfs/dbraw/zinc/73/81/52/570738152.db2.gz BEMSFCDPTJRRKR-UHFFFAOYSA-N 1 0 369.505 4.274 40 0 FIABRO CCOc1c(Br)cc(C[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000008253356 570794111 /nfs/dbraw/zinc/79/41/11/570794111.db2.gz FMXZSYVZSIUQFO-UHFFFAOYSA-N 1 0 368.246 4.285 40 0 FIABRO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCc2ccccc21 ZINC000009062664 570797101 /nfs/dbraw/zinc/79/71/01/570797101.db2.gz MUOUYJJLDNGRPB-UHFFFAOYSA-N 1 0 354.881 4.141 40 0 FIABRO COc1ccc(CN(Cc2cccs2)Cc2ccncc2)cc1OC ZINC000013989899 570840538 /nfs/dbraw/zinc/84/05/38/570840538.db2.gz JWBJAHNGGHSPSD-UHFFFAOYSA-N 1 0 354.475 4.363 40 0 FIABRO O=C(NCCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000017297822 570871660 /nfs/dbraw/zinc/87/16/60/570871660.db2.gz VHOHDFNYSIPXHV-UHFFFAOYSA-N 1 0 356.897 4.298 40 0 FIABRO C/C(=C\c1ccccc1)CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019014412 570879239 /nfs/dbraw/zinc/87/92/39/570879239.db2.gz DHLFXZHUTAZWSO-OVWUPXBPSA-N 1 0 362.521 4.095 40 0 FIABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019019514 570879550 /nfs/dbraw/zinc/87/95/50/570879550.db2.gz OYXYZKFBYSDPID-UFYCRDLUSA-N 1 0 374.937 4.238 40 0 FIABRO Cc1ccc([C@H](O)C[N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)c(C)c1 ZINC000019132533 570880708 /nfs/dbraw/zinc/88/07/08/570880708.db2.gz MJCAUBXSJYOKQJ-HXUWFJFHSA-N 1 0 366.436 4.189 40 0 FIABRO CC(=O)N1CCC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)[C@@H]1c1ccc(C)s1 ZINC000019217321 570882517 /nfs/dbraw/zinc/88/25/17/570882517.db2.gz GBRGFQRHSHPVDD-TZIWHRDSSA-N 1 0 367.518 4.380 40 0 FIABRO Clc1cccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)c1 ZINC000019293402 570885182 /nfs/dbraw/zinc/88/51/82/570885182.db2.gz CPXROCZMDIKJOA-UHFFFAOYSA-N 1 0 354.841 4.165 40 0 FIABRO c1ccc2c(C[N@@H+]3CCC[C@H]3c3nnc(-c4cccnc4)o3)ccnc2c1 ZINC000019376090 570888671 /nfs/dbraw/zinc/88/86/71/570888671.db2.gz SPLJPFJJQRGBBL-IBGZPJMESA-N 1 0 357.417 4.017 40 0 FIABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1OC ZINC000019561442 570893760 /nfs/dbraw/zinc/89/37/60/570893760.db2.gz AINVUQRLJAEZAP-UDKICSLYSA-N 1 0 352.478 4.161 40 0 FIABRO Cc1noc2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(C(F)F)c12 ZINC000019565088 570894349 /nfs/dbraw/zinc/89/43/49/570894349.db2.gz PLCMAXZVYVKZST-UHFFFAOYSA-N 1 0 358.392 4.243 40 0 FIABRO COc1ccc2[nH]c(CN3CCC([N@H+](C)Cc4ccccc4)CC3)cc2c1 ZINC000019586519 570895178 /nfs/dbraw/zinc/89/51/78/570895178.db2.gz OFLJSEJOBURQLH-UHFFFAOYSA-N 1 0 363.505 4.273 40 0 FIABRO Cc1cc(-c2cn[nH]c2)cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2C(C)(C)C)n1 ZINC000019690841 570898246 /nfs/dbraw/zinc/89/82/46/570898246.db2.gz AUNYBLBZMYJMTI-IBGZPJMESA-N 1 0 364.497 4.138 40 0 FIABRO Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019692016 570898836 /nfs/dbraw/zinc/89/88/36/570898836.db2.gz KQVVQMUBCOIRKI-JOCHJYFZSA-N 1 0 364.468 4.191 40 0 FIABRO CC[NH+](CC)C1CCN(C(=O)c2cc3cc(C)cc(C)c3nc2C)CC1 ZINC000019715319 570899378 /nfs/dbraw/zinc/89/93/78/570899378.db2.gz JNRWOHZKKFSWJU-UHFFFAOYSA-N 1 0 353.510 4.106 40 0 FIABRO COc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224643952 570996033 /nfs/dbraw/zinc/99/60/33/570996033.db2.gz QMVPGVLLMWUFJQ-JLHYYAGUSA-N 1 0 364.489 4.011 40 0 FIABRO O=C(COc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224642346 570996114 /nfs/dbraw/zinc/99/61/14/570996114.db2.gz RCUIWUURKVERHC-UHFFFAOYSA-N 1 0 372.896 4.021 40 0 FIABRO COc1ccccc1/C=C/C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224644615 570996127 /nfs/dbraw/zinc/99/61/27/570996127.db2.gz VEBGBFONKGFKCH-OUKQBFOZSA-N 1 0 364.489 4.011 40 0 FIABRO Cc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836197 571001865 /nfs/dbraw/zinc/00/18/65/571001865.db2.gz YTUOQLMJQPGKPY-IBGZPJMESA-N 1 0 366.505 4.065 40 0 FIABRO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000039767851 571023425 /nfs/dbraw/zinc/02/34/25/571023425.db2.gz OPRPCPCJLGWNFL-UHFFFAOYSA-N 1 0 352.478 4.163 40 0 FIABRO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039757829 571026209 /nfs/dbraw/zinc/02/62/09/571026209.db2.gz QUFUUOFFRNUSCS-UHFFFAOYSA-N 1 0 356.441 4.075 40 0 FIABRO C[C@@H]1CCC[N@H+](CCCNC(=O)CCc2c(Cl)cccc2Cl)C1 ZINC000225362041 571030760 /nfs/dbraw/zinc/03/07/60/571030760.db2.gz KNDSQMMMLNPCJE-CQSZACIVSA-N 1 0 357.325 4.164 40 0 FIABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCCCC1 ZINC000225630600 571050704 /nfs/dbraw/zinc/05/07/04/571050704.db2.gz DPYQPODMENETQT-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCCCC1 ZINC000225628338 571050762 /nfs/dbraw/zinc/05/07/62/571050762.db2.gz IMEYEVFPWCVWIO-UHFFFAOYSA-N 1 0 374.525 4.085 40 0 FIABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225635150 571051428 /nfs/dbraw/zinc/05/14/28/571051428.db2.gz QLUUQENQDOSFIU-XMSQKQJNSA-N 1 0 374.525 4.085 40 0 FIABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000225656949 571053296 /nfs/dbraw/zinc/05/32/96/571053296.db2.gz IUYICZSJDVGACX-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225671850 571054337 /nfs/dbraw/zinc/05/43/37/571054337.db2.gz SSPSMPACPVFOGS-JOCHJYFZSA-N 1 0 374.525 4.085 40 0 FIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225693261 571056286 /nfs/dbraw/zinc/05/62/86/571056286.db2.gz YYFZWIUYGHGWEY-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO C[NH+](C)CCNc1nc(Nc2c(F)cccc2F)cc(-c2ccccc2)n1 ZINC000253450976 571056527 /nfs/dbraw/zinc/05/65/27/571056527.db2.gz ZRTAESSWYWLWKS-UHFFFAOYSA-N 1 0 369.419 4.139 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCCCCC1 ZINC000225711429 571058018 /nfs/dbraw/zinc/05/80/18/571058018.db2.gz AJJZWGFBSWPZGT-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO CCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225724031 571059614 /nfs/dbraw/zinc/05/96/14/571059614.db2.gz VJLSWKRLJOQDJP-QFIPXVFZSA-N 1 0 374.525 4.085 40 0 FIABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225738334 571060859 /nfs/dbraw/zinc/06/08/59/571060859.db2.gz OBDRTSOYPLTUAK-OAQYLSRUSA-N 1 0 364.530 4.331 40 0 FIABRO S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000225742272 571061148 /nfs/dbraw/zinc/06/11/48/571061148.db2.gz QEBQYNXTXDDDDQ-UHFFFAOYSA-N 1 0 359.926 4.075 40 0 FIABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225749393 571061845 /nfs/dbraw/zinc/06/18/45/571061845.db2.gz WLPVDILFRQIEJN-OAQYLSRUSA-N 1 0 364.530 4.331 40 0 FIABRO Clc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329065335 571109409 /nfs/dbraw/zinc/10/94/09/571109409.db2.gz XQCJFBYEWCTNKO-UHFFFAOYSA-N 1 0 356.901 4.208 40 0 FIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260818235 571124093 /nfs/dbraw/zinc/12/40/93/571124093.db2.gz YMNBWALKKKFOQK-QGZVFWFLSA-N 1 0 362.514 4.084 40 0 FIABRO O[C@@H](COc1ccccc1Cl)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006495871 571150472 /nfs/dbraw/zinc/15/04/72/571150472.db2.gz TYLAYNRUPNUTDX-LJQANCHMSA-N 1 0 359.897 4.034 40 0 FIABRO Oc1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(Nc3cnccn3)nc2)cc1 ZINC000257270081 571156257 /nfs/dbraw/zinc/15/62/57/571156257.db2.gz MSROTJNYKIJTRV-IBGZPJMESA-N 1 0 361.449 4.048 40 0 FIABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257329399 571162628 /nfs/dbraw/zinc/16/26/28/571162628.db2.gz XJVKBVZKACJWOK-KRWDZBQOSA-N 1 0 363.440 4.134 40 0 FIABRO C[C@H]1C[C@H]1C(=O)NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000072343206 571179753 /nfs/dbraw/zinc/17/97/53/571179753.db2.gz VYMNHOWTMIKDOZ-WTOYTKOKSA-N 1 0 354.538 4.197 40 0 FIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4Cl)C3)n2)c1 ZINC000072369857 571184923 /nfs/dbraw/zinc/18/49/23/571184923.db2.gz RPYPAXCHZUKATK-MRXNPFEDSA-N 1 0 369.852 4.388 40 0 FIABRO Cc1nccn1-c1cccc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072379110 571187650 /nfs/dbraw/zinc/18/76/50/571187650.db2.gz ZLGYHQJKBXREGA-NRFANRHFSA-N 1 0 360.505 4.388 40 0 FIABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4cccs4)o3)CC2)c1 ZINC000072389931 571189179 /nfs/dbraw/zinc/18/91/79/571189179.db2.gz XWZZSHVRFONJHP-UHFFFAOYSA-N 1 0 355.463 4.186 40 0 FIABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(-c2ccc(F)cc2)no1 ZINC000035322659 571192385 /nfs/dbraw/zinc/19/23/85/571192385.db2.gz KRPDMIAVJNNGJT-UHFFFAOYSA-N 1 0 365.408 4.329 40 0 FIABRO Cc1ccccc1C[N@H+]1CC=CC[C@H](C(=O)NCc2ccc(F)cc2)[C@H]1C ZINC000057776453 571195044 /nfs/dbraw/zinc/19/50/44/571195044.db2.gz MYULRNQKKMLGLF-GCJKJVERSA-N 1 0 366.480 4.217 40 0 FIABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)cs1 ZINC000585105457 571223757 /nfs/dbraw/zinc/22/37/57/571223757.db2.gz WYSDXJUCKKAAFY-FQEVSTJZSA-N 1 0 372.534 4.121 40 0 FIABRO CCCC[N@H+]1CC=C(c2nn3c(nnc3-c3ccc(C)cc3)s2)CC1 ZINC000226250784 571276198 /nfs/dbraw/zinc/27/61/98/571276198.db2.gz MIMJNWZLCZIFOF-UHFFFAOYSA-N 1 0 353.495 4.050 40 0 FIABRO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCCc2ccccc21 ZINC000009062716 571302350 /nfs/dbraw/zinc/30/23/50/571302350.db2.gz JLEYNFLRVCISEO-UHFFFAOYSA-N 1 0 352.453 4.017 40 0 FIABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3ccccn3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713506 571304769 /nfs/dbraw/zinc/30/47/69/571304769.db2.gz JMVBRKSOWNEGBD-FUDKSRODSA-N 1 0 363.505 4.302 40 0 FIABRO Cc1ncsc1C(=O)N1[C@H](c2ccccc2)C[C@]2(C)[NH2+]CCCCC[C@H]12 ZINC000019713499 571304892 /nfs/dbraw/zinc/30/48/92/571304892.db2.gz AQDBVYFFUMRQBA-WFXMLNOXSA-N 1 0 369.534 4.330 40 0 FIABRO Cc1c2cc(Cl)ccc2n(C)c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000141595618 571307284 /nfs/dbraw/zinc/30/72/84/571307284.db2.gz QDAQSRWRCCKCAO-UHFFFAOYSA-N 1 0 361.917 4.134 40 0 FIABRO COCCC(=O)N1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257245850 1093881556 /nfs/dbraw/zinc/88/15/56/1093881556.db2.gz IRHVBODWSZRWMZ-SFHVURJKSA-N 1 0 367.493 4.185 40 0 FIABRO Cc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000225727914 209830400 /nfs/dbraw/zinc/83/04/00/209830400.db2.gz HNCNYFWDKYSEIK-OKILXGFUSA-N 1 0 353.963 4.303 40 0 FIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225590237 209821663 /nfs/dbraw/zinc/82/16/63/209821663.db2.gz SDYNDZSTSCOQDS-UHFFFAOYSA-N 1 0 367.704 4.106 40 0 FIABRO O=C(CSc1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224644674 209790083 /nfs/dbraw/zinc/79/00/83/209790083.db2.gz VSYBGEGHMCRTFI-UHFFFAOYSA-N 1 0 354.519 4.081 40 0 FIABRO Cc1ccccc1CSCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224591017 209788079 /nfs/dbraw/zinc/78/80/79/209788079.db2.gz LOGSCBXNUCFVKG-UHFFFAOYSA-N 1 0 368.546 4.140 40 0 FIABRO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000049169730 209334452 /nfs/dbraw/zinc/33/44/52/209334452.db2.gz LIEUWMRNOQRYGV-KRWDZBQOSA-N 1 0 358.445 4.131 40 0 biogenic,in-vitro FIABRO O=C(CCc1ccccc1F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000105046034 209264654 /nfs/dbraw/zinc/26/46/54/209264654.db2.gz OZSQDAFUSIUDLK-UHFFFAOYSA-N 1 0 354.469 4.061 40 0 FIABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc(Oc3ncccn3)c2)on1 ZINC000012366549 219986302 /nfs/dbraw/zinc/98/63/02/219986302.db2.gz GBINRFBUZHYRHZ-FXAWDEMLSA-N 1 0 364.449 4.066 40 0 FIABRO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](Cc2ccccc2)C1 ZINC000096244647 209143944 /nfs/dbraw/zinc/14/39/44/209143944.db2.gz VSFCFNWRFZXQNB-DEOSSOPVSA-N 1 0 371.484 4.126 40 0 FIABRO CC(=O)N1CCC2(CC1)C[C@@H]([NH2+]Cc1ccc(C)s1)c1ccccc1O2 ZINC000096242679 209143429 /nfs/dbraw/zinc/14/34/29/209143429.db2.gz MOOKGGDANWBIIK-LJQANCHMSA-N 1 0 370.518 4.051 40 0 FIABRO CC(C)C[NH+]1CCC2(CC1)C[C@@H](NCc1ccccn1)c1ccccc1O2 ZINC000096242838 209143452 /nfs/dbraw/zinc/14/34/52/209143452.db2.gz YIHLKENHIOSMPK-OAQYLSRUSA-N 1 0 365.521 4.186 40 0 FIABRO O=C(CCc1ccccc1)N1CCC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096214659 209136205 /nfs/dbraw/zinc/13/62/05/209136205.db2.gz SOZLYFKSVLWZOH-XMMPIXPASA-N 1 0 362.517 4.276 40 0 FIABRO Fc1ccccc1C[N@@H+]1CCC[C@]2(C[C@H](OCc3ccccc3)CO2)C1 ZINC000096073569 209107933 /nfs/dbraw/zinc/10/79/33/209107933.db2.gz CTDOCRYLOQQYHN-UNMCSNQZSA-N 1 0 355.453 4.166 40 0 FIABRO CCC(=O)OC1(c2ccccc2)CC[NH+](CCNc2ccccc2)CC1 ZINC000005010854 207072286 /nfs/dbraw/zinc/07/22/86/207072286.db2.gz LKMFRYVYGGGAOC-UHFFFAOYSA-N 1 0 352.478 4.043 40 0 FIABRO CC[NH+](CC)CCOC(=O)[C@@](O)(C1CCCCC1)C1[C@H](C)CCC[C@@H]1C ZINC000005047932 207076161 /nfs/dbraw/zinc/07/61/61/207076161.db2.gz QLRZGUBJCXPDGG-ZWZGKBJOSA-N 1 0 367.574 4.255 40 0 FIABRO O=C(COc1ccc(Cl)cc1Cl)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005670686 207110211 /nfs/dbraw/zinc/11/02/11/207110211.db2.gz QSWYVTSVHDNZFA-XJKSGUPXSA-N 1 0 372.292 4.180 40 0 biogenic,in-vitro FIABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 ZINC000035289828 207114560 /nfs/dbraw/zinc/11/45/60/207114560.db2.gz SCAGAINRVULABU-SEJPIABJSA-N 1 0 364.489 4.011 40 0 FIABRO CCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000008253208 207226454 /nfs/dbraw/zinc/22/64/54/207226454.db2.gz XLQDFUXRRAQAPO-UHFFFAOYSA-N 1 0 363.885 4.444 40 0 FIABRO CC[NH+](CC)CCOC(=O)[C@](O)(C1CCCCC1)C1[C@H](C)CCC[C@@H]1C ZINC000008637651 207240544 /nfs/dbraw/zinc/24/05/44/207240544.db2.gz QLRZGUBJCXPDGG-LECXIGBMSA-N 1 0 367.574 4.255 40 0 FIABRO C[N@@H+]1CCC[C@H](CNC(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000009876305 207288168 /nfs/dbraw/zinc/28/81/68/207288168.db2.gz IMBRHVAUQVXBCM-MRXNPFEDSA-N 1 0 355.507 4.107 40 0 FIABRO CC[NH+](CC)CCCNc1ncc(-c2ccccn2)c(-c2cccs2)n1 ZINC000012222114 207349624 /nfs/dbraw/zinc/34/96/24/207349624.db2.gz QXUAACATMIXTAZ-UHFFFAOYSA-N 1 0 367.522 4.411 40 0 FIABRO COc1ccc2[nH]cc([C@H]3CC[N@H+](Cc4cccc(OC)c4OC)C3)c2c1 ZINC000012329478 207363071 /nfs/dbraw/zinc/36/30/71/207363071.db2.gz BAJQQEPHDNRXPY-HNNXBMFYSA-N 1 0 366.461 4.183 40 0 FIABRO COc1ccc2[nH]c(C)c(C[NH+]3CCC(O)(c4ccccc4F)CC3)c2c1 ZINC000012363509 207364739 /nfs/dbraw/zinc/36/47/39/207364739.db2.gz HKDAWDHHWZDFOL-UHFFFAOYSA-N 1 0 368.452 4.108 40 0 FIABRO C[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030552015 208001931 /nfs/dbraw/zinc/00/19/31/208001931.db2.gz AEGJBBRWQKJHMS-GOSISDBHSA-N 1 0 368.546 4.470 40 0 FIABRO Cc1ccc(CSCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462887 208027866 /nfs/dbraw/zinc/02/78/66/208027866.db2.gz NBFHLQXNQKRLID-UHFFFAOYSA-N 1 0 368.546 4.140 40 0 FIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1)c1cccs1 ZINC000035289778 208121164 /nfs/dbraw/zinc/12/11/64/208121164.db2.gz UTVULYZHEJPRJP-AYHJJNSGSA-N 1 0 358.482 4.203 40 0 FIABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834223 208206328 /nfs/dbraw/zinc/20/63/28/208206328.db2.gz SGAUYZKONJXAOH-MRXNPFEDSA-N 1 0 358.869 4.199 40 0 FIABRO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833920 208206388 /nfs/dbraw/zinc/20/63/88/208206388.db2.gz MEDBCWDZWKZKCZ-MRXNPFEDSA-N 1 0 373.294 4.300 40 0 FIABRO O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038853458 208208087 /nfs/dbraw/zinc/20/80/87/208208087.db2.gz PDBUOVZHEGJNBN-CQSZACIVSA-N 1 0 364.823 4.469 40 0 FIABRO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038848760 208209242 /nfs/dbraw/zinc/20/92/42/208209242.db2.gz VXWVXZODTYMPHI-IBGZPJMESA-N 1 0 356.897 4.177 40 0 FIABRO CC1=C[C@@H](C[NH2+]C2CCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000072320832 208187183 /nfs/dbraw/zinc/18/71/83/208187183.db2.gz ATCWXABTIUQMOL-LNLFQRSKSA-N 1 0 352.526 4.497 40 0 biogenic,in-vitro FIABRO Fc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc(F)cc(F)c2)cc1 ZINC000043277675 208305302 /nfs/dbraw/zinc/30/53/02/208305302.db2.gz SZUPMJBLZHOFMX-UHFFFAOYSA-N 1 0 359.395 4.393 40 0 FIABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096052698 209103148 /nfs/dbraw/zinc/10/31/48/209103148.db2.gz BLALQFAOCQNNKP-KRWDZBQOSA-N 1 0 368.546 4.248 40 0 FIABRO COc1ccc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)cc1 ZINC000096047859 209099583 /nfs/dbraw/zinc/09/95/83/209099583.db2.gz VWPSENPBPLVULM-JOCHJYFZSA-N 1 0 367.489 4.036 40 0 FIABRO COc1ccc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)cc1 ZINC000096047858 209099452 /nfs/dbraw/zinc/09/94/52/209099452.db2.gz VWPSENPBPLVULM-QFIPXVFZSA-N 1 0 367.489 4.036 40 0 FIABRO CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NCc2ccccc2)[nH+]1 ZINC000329013058 132372467 /nfs/dbraw/zinc/37/24/67/132372467.db2.gz MNEUCLZHIRTFRL-UHFFFAOYSA-N 1 0 372.516 4.371 40 0 FIABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076393 263385266 /nfs/dbraw/zinc/38/52/66/263385266.db2.gz WMAWNSMGSVDNBP-LJQANCHMSA-N 1 0 369.486 4.159 40 0 FIABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000020461047 523050252 /nfs/dbraw/zinc/05/02/52/523050252.db2.gz ONESPQPJKIGFOC-PKOBYXMFSA-N 1 0 366.933 4.268 40 0 FIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccco3)cc2)C1 ZINC000020488584 524093012 /nfs/dbraw/zinc/09/30/12/524093012.db2.gz IETSQEIOQPGYDZ-KRWDZBQOSA-N 1 0 372.534 4.175 40 0 FIABRO O=C(NCCOc1ccc2ccccc2c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000223607624 568678463 /nfs/dbraw/zinc/67/84/63/568678463.db2.gz ZKTNXPVRDILAHT-UHFFFAOYSA-N 1 0 374.484 4.244 40 0 FIABRO Clc1ccc2nc(NCC[NH+]3CCCC3)nc(-c3ccccc3)c2c1 ZINC000000813259 570457864 /nfs/dbraw/zinc/45/78/64/570457864.db2.gz MWFMSIGDFXPXFL-UHFFFAOYSA-N 1 0 352.869 4.458 40 0 FIABRO c1nc(Nc2cc(CC[C@H]3CCC[NH2+]3)ncn2)sc1-c1ccccc1 ZINC000585263168 570481854 /nfs/dbraw/zinc/48/18/54/570481854.db2.gz PITDFPVJMDBLIR-OAHLLOKOSA-N 1 0 351.479 4.028 40 0 FIABRO O[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271327 570485550 /nfs/dbraw/zinc/48/55/50/570485550.db2.gz WVEJGCLUKIIZRJ-JOCHJYFZSA-N 1 0 368.452 4.103 40 0 FIABRO Cc1cc(OCC2(O)CC[NH+](C3CCCCC3)CC2)cc(C)c1Cl ZINC000585281187 570492577 /nfs/dbraw/zinc/49/25/77/570492577.db2.gz GCKCSYXZDTWIQC-UHFFFAOYSA-N 1 0 351.918 4.495 40 0 FIABRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)c1C ZINC000585290536 570495793 /nfs/dbraw/zinc/49/57/93/570495793.db2.gz XUCMAYNYMFAPQX-PWRODBHTSA-N 1 0 359.897 4.407 40 0 FIABRO Cc1cccc(C)c1C(OC[C@H](O)C[NH2+]C(C)C)c1c(C)cccc1C ZINC000002019968 570511467 /nfs/dbraw/zinc/51/14/67/570511467.db2.gz NCDUZGLNHCZFNZ-HXUWFJFHSA-N 1 0 355.522 4.385 40 0 in-man FIABRO O=C(c1ccc(Cl)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408606596 570578001 /nfs/dbraw/zinc/57/80/01/570578001.db2.gz IWHLZUBCFDSPLM-UHFFFAOYSA-N 1 0 354.881 4.003 40 0 FIABRO O=C(c1ccc(Cl)cc1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408607317 570578509 /nfs/dbraw/zinc/57/85/09/570578509.db2.gz KUQVQQWXJFKEDN-FQEVSTJZSA-N 1 0 354.881 4.003 40 0 FIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000004883422 570672272 /nfs/dbraw/zinc/67/22/72/570672272.db2.gz TXKYRDMQRWROAR-SEJPIABJSA-N 1 0 352.453 4.141 40 0 FIABRO COc1ccc(C)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1cccc(F)c1)C2 ZINC000012345038 570738723 /nfs/dbraw/zinc/73/87/23/570738723.db2.gz FXHMVTKBGRRGOX-RLAPIPATSA-N 1 0 355.453 4.157 40 0 FIABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000006548103 570783187 /nfs/dbraw/zinc/78/31/87/570783187.db2.gz UUGTWUMKDNIYGA-UHFFFAOYSA-N 1 0 373.909 4.063 40 0 FIABRO CC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008227153 570794153 /nfs/dbraw/zinc/79/41/53/570794153.db2.gz ZCMMVOOCZLNBSA-UHFFFAOYSA-N 1 0 368.246 4.285 40 0 FIABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373063 570842196 /nfs/dbraw/zinc/84/21/96/570842196.db2.gz IDMDYWOMAWKGAQ-MZKRTTBSSA-N 1 0 367.533 4.459 40 0 FIABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]C2CC2)cc1 ZINC000016401755 570855841 /nfs/dbraw/zinc/85/58/41/570855841.db2.gz WFHYPYLTGJYOPC-UHFFFAOYSA-N 1 0 350.231 4.419 40 0 FIABRO CCC[N@@H+]1CCC[C@@](O)(c2nc(C)c(COc3ccccc3)s2)CC1 ZINC000019705248 570857886 /nfs/dbraw/zinc/85/78/86/570857886.db2.gz IUJBFXBXCAPILP-FQEVSTJZSA-N 1 0 360.523 4.114 40 0 FIABRO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000019289299 570872812 /nfs/dbraw/zinc/87/28/12/570872812.db2.gz GSSHBFNXPRRFCN-KRWDZBQOSA-N 1 0 368.506 4.080 40 0 FIABRO CC(C)(C)Nc1c(C2CCN(C(=O)C3CCCC3)CC2)[nH+]c2ccccn21 ZINC000019083120 570880322 /nfs/dbraw/zinc/88/03/22/570880322.db2.gz LKOUPZBXNREQQK-UHFFFAOYSA-N 1 0 368.525 4.441 40 0 FIABRO Cc1cccc(C2(O)CC[NH+](Cc3c4cccnc4[nH]c3C(C)C)CC2)c1 ZINC000019234510 570882880 /nfs/dbraw/zinc/88/28/80/570882880.db2.gz NXLMUESRNFQEAN-UHFFFAOYSA-N 1 0 363.505 4.478 40 0 FIABRO O=C(C1CCCCC1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294284 570885161 /nfs/dbraw/zinc/88/51/61/570885161.db2.gz JFDYDSUJXDOWLU-HBMCJLEFSA-N 1 0 358.501 4.233 40 0 FIABRO Clc1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000019335641 570886077 /nfs/dbraw/zinc/88/60/77/570886077.db2.gz FMMNBAMVBVNZET-OAHLLOKOSA-N 1 0 365.868 4.403 40 0 FIABRO Clc1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000019335655 570886186 /nfs/dbraw/zinc/88/61/86/570886186.db2.gz JYBQSLFUPPYCEW-AWEZNQCLSA-N 1 0 351.841 4.013 40 0 FIABRO FC(F)(F)c1ccccc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019361741 570887576 /nfs/dbraw/zinc/88/75/76/570887576.db2.gz QTWQUBHVVOFXOE-SOLBZPMBSA-N 1 0 350.428 4.035 40 0 FIABRO CC(C)(C[NH2+]C(C)(C)CO)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000019365995 570887937 /nfs/dbraw/zinc/88/79/37/570887937.db2.gz JHHSEALESJWYCK-HXUWFJFHSA-N 1 0 374.956 4.353 40 0 FIABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000019406568 570888514 /nfs/dbraw/zinc/88/85/14/570888514.db2.gz WMBDRGXHFNIXPF-ACRUOGEOSA-N 1 0 372.578 4.497 40 0 FIABRO CC(C)C[NH+]1CCC([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019447157 570889176 /nfs/dbraw/zinc/88/91/76/570889176.db2.gz NGHQCZMLWWXFHD-NRFANRHFSA-N 1 0 369.484 4.060 40 0 FIABRO CCC(CC)C(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019500237 570890692 /nfs/dbraw/zinc/89/06/92/570890692.db2.gz QCXFOVDDCQYXBB-UHFFFAOYSA-N 1 0 358.526 4.087 40 0 FIABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1OC ZINC000019533808 570892211 /nfs/dbraw/zinc/89/22/11/570892211.db2.gz DJPJZWYHPRQCIC-KRWDZBQOSA-N 1 0 365.477 4.350 40 0 FIABRO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1OC ZINC000019567091 570894298 /nfs/dbraw/zinc/89/42/98/570894298.db2.gz BPQORRJGCFANIP-KRWDZBQOSA-N 1 0 365.477 4.268 40 0 FIABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019577467 570894686 /nfs/dbraw/zinc/89/46/86/570894686.db2.gz ZGEDEYAKWBSJIV-SFHVURJKSA-N 1 0 351.498 4.337 40 0 FIABRO CN(C(=O)[C@@H]1CC=CCC1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590844 570895790 /nfs/dbraw/zinc/89/57/90/570895790.db2.gz WEUQVRVNUBVQTQ-TWEIKEKHSA-N 1 0 368.521 4.007 40 0 FIABRO CCCn1nc(C)c(-c2cncn2[C@@H](CC[NH+](C)C)c2ccccc2)c1C ZINC000019654620 570896715 /nfs/dbraw/zinc/89/67/15/570896715.db2.gz LYJJZFACRXFYJO-FQEVSTJZSA-N 1 0 365.525 4.315 40 0 FIABRO O=C(Nc1cccc(Cn2cccn2)c1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019659672 570897392 /nfs/dbraw/zinc/89/73/92/570897392.db2.gz SKCLQKSIVCTTOH-JOCHJYFZSA-N 1 0 374.488 4.097 40 0 FIABRO CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000019690463 570898545 /nfs/dbraw/zinc/89/85/45/570898545.db2.gz VYBVPRYJXPFKQF-LJQANCHMSA-N 1 0 354.473 4.428 40 0 FIABRO Cc1cc(-c2cncnc2)cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000019691943 570899096 /nfs/dbraw/zinc/89/90/96/570899096.db2.gz WSXKYLOOJPBKCC-UHFFFAOYSA-N 1 0 362.452 4.366 40 0 FIABRO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(OC)c1 ZINC000020452777 570916547 /nfs/dbraw/zinc/91/65/47/570916547.db2.gz YRLPDTPICVRUGY-MRXNPFEDSA-N 1 0 368.477 4.188 40 0 FIABRO CC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020483667 570917662 /nfs/dbraw/zinc/91/76/62/570917662.db2.gz WTYFFVGJOYYKGE-UHFFFAOYSA-N 1 0 365.477 4.129 40 0 FIABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000021961588 570936258 /nfs/dbraw/zinc/93/62/58/570936258.db2.gz HMQAGBMTKJSDLO-LJQANCHMSA-N 1 0 366.505 4.065 40 0 FIABRO C[C@H]([NH2+]CCN(C)C)[C@@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000022586821 570946702 /nfs/dbraw/zinc/94/67/02/570946702.db2.gz OQLPSYJNZRYLOQ-IYVOBMDJSA-N 1 0 370.581 4.404 40 0 in-vitro FIABRO CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224627083 570995635 /nfs/dbraw/zinc/99/56/35/570995635.db2.gz OZSIVANFVSHSKZ-QFIPXVFZSA-N 1 0 366.505 4.065 40 0 FIABRO O=C(CSCc1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645100 570996047 /nfs/dbraw/zinc/99/60/47/570996047.db2.gz YCGVDSZSNDFBNC-UHFFFAOYSA-N 1 0 368.546 4.222 40 0 FIABRO Cc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224666843 570996544 /nfs/dbraw/zinc/99/65/44/570996544.db2.gz NVBJUUGYMUPXDD-UHFFFAOYSA-N 1 0 350.506 4.230 40 0 FIABRO Cc1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000225229716 571023033 /nfs/dbraw/zinc/02/30/33/571023033.db2.gz QOXSVRBJXDIIJH-UHFFFAOYSA-N 1 0 359.564 4.316 40 0 FIABRO S=C(NCCC[NH+]1CCCCC1)Nc1ccc(OC2CCCC2)cc1 ZINC000225411139 571033584 /nfs/dbraw/zinc/03/35/84/571033584.db2.gz UCWXHTFBGHOLRB-UHFFFAOYSA-N 1 0 361.555 4.170 40 0 FIABRO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccsc4)C2)OC3)cc1 ZINC000306139676 571041541 /nfs/dbraw/zinc/04/15/41/571041541.db2.gz TXKJXCNCDKFHCH-NRFANRHFSA-N 1 0 365.502 4.095 40 0 FIABRO COc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1Cl ZINC000225647833 571052584 /nfs/dbraw/zinc/05/25/84/571052584.db2.gz UXKVMKJGVOKAQB-UHFFFAOYSA-N 1 0 374.868 4.074 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000225709427 571058088 /nfs/dbraw/zinc/05/80/88/571058088.db2.gz CXNSORUUPJZVAW-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO Cc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000225727966 571059969 /nfs/dbraw/zinc/05/99/69/571059969.db2.gz HNCNYFWDKYSEIK-KBPBESRZSA-N 1 0 353.963 4.303 40 0 FIABRO Cc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000225742798 571061175 /nfs/dbraw/zinc/06/11/75/571061175.db2.gz HSQICBKBXSNIMN-UHFFFAOYSA-N 1 0 373.953 4.383 40 0 FIABRO C[C@H]([NH3+])C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000065734218 571075061 /nfs/dbraw/zinc/07/50/61/571075061.db2.gz GMSLUXIYPBUZRT-KRWDZBQOSA-N 1 0 361.441 4.375 40 0 in-vitro FIABRO CC[C@H](C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328988477 571106313 /nfs/dbraw/zinc/10/63/13/571106313.db2.gz IGZJGPQNIFPSPA-JKSUJKDBSA-N 1 0 368.525 4.426 40 0 FIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)n1 ZINC000329039096 571108240 /nfs/dbraw/zinc/10/82/40/571108240.db2.gz RUZDZYYFFHZLCY-UHFFFAOYSA-N 1 0 367.541 4.181 40 0 FIABRO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000049568611 571109630 /nfs/dbraw/zinc/10/96/30/571109630.db2.gz AUBASQUVLJYPAO-WWPVKYPJSA-N 1 0 374.528 4.151 40 0 FIABRO COc1nc2cc(C)ccc2cc1C[N@@H+](Cc1sccc1C)C[C@@H](C)O ZINC000057810260 571122615 /nfs/dbraw/zinc/12/26/15/571122615.db2.gz PIOMBKORSABMEY-MRXNPFEDSA-N 1 0 370.518 4.305 40 0 FIABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260812482 571123400 /nfs/dbraw/zinc/12/34/00/571123400.db2.gz CPYRHSSQBXDIAE-GOSISDBHSA-N 1 0 374.525 4.228 40 0 FIABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000260828093 571124026 /nfs/dbraw/zinc/12/40/26/571124026.db2.gz KXPXDLPUFPXZEO-APWZRJJASA-N 1 0 356.897 4.429 40 0 FIABRO C[C@H](CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000260848809 571124272 /nfs/dbraw/zinc/12/42/72/571124272.db2.gz QOJUVIMOTMPAFJ-RBUKOAKNSA-N 1 0 350.506 4.452 40 0 FIABRO Nc1cc(Cl)ccc1N[C@H](C[NH3+])c1ncc(C(F)(F)F)cc1Cl ZINC000064220217 571140523 /nfs/dbraw/zinc/14/05/23/571140523.db2.gz XTUWBUPVTJVNET-GFCCVEGCSA-N 1 0 365.186 4.101 40 0 FIABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000035075048 571151728 /nfs/dbraw/zinc/15/17/28/571151728.db2.gz ZDEGWONPYAWLCN-SRUXOGRHSA-N 1 0 357.538 4.027 40 0 FIABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000035075047 571151751 /nfs/dbraw/zinc/15/17/51/571151751.db2.gz ZDEGWONPYAWLCN-NNXSRULWSA-N 1 0 357.538 4.027 40 0 FIABRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]2[NH2+]CCC[C@@]21C ZINC000257254986 571154692 /nfs/dbraw/zinc/15/46/92/571154692.db2.gz KFQPHWZHXMYEPV-UZLBHIALSA-N 1 0 373.497 4.004 40 0 FIABRO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)C(C)C)C3)c2)n1 ZINC000257297759 571159313 /nfs/dbraw/zinc/15/93/13/571159313.db2.gz RISAPNFLRXDUMZ-OAHLLOKOSA-N 1 0 358.511 4.261 40 0 FIABRO Cc1cccc(Cc2cccc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350092 571181393 /nfs/dbraw/zinc/18/13/93/571181393.db2.gz MQFIYNRMSUNOOU-FQEVSTJZSA-N 1 0 350.506 4.339 40 0 FIABRO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349998 571181433 /nfs/dbraw/zinc/18/14/33/571181433.db2.gz YNGXOIJDJMRCFH-INIZCTEOSA-N 1 0 350.441 4.001 40 0 FIABRO CNc1ncccc1C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072350260 571181731 /nfs/dbraw/zinc/18/17/31/571181731.db2.gz ULHKMOKKDSHHSM-UHFFFAOYSA-N 1 0 372.516 4.489 40 0 FIABRO CCC[N@@H+]1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCOC ZINC000072370384 571185077 /nfs/dbraw/zinc/18/50/77/571185077.db2.gz OUVKQPKMPCPJIJ-INIZCTEOSA-N 1 0 374.550 4.085 40 0 FIABRO Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072374829 571185469 /nfs/dbraw/zinc/18/54/69/571185469.db2.gz COHPJNOMIPHOJL-HXUWFJFHSA-N 1 0 373.504 4.346 40 0 FIABRO c1cc([C@H]2CCCC[N@H+]2CC2CCCCC2)nc(Nc2cncnc2)n1 ZINC000072377853 571186962 /nfs/dbraw/zinc/18/69/62/571186962.db2.gz SAFBCJIJGYPLKI-LJQANCHMSA-N 1 0 352.486 4.118 40 0 FIABRO c1ccc(C[N@H+]2CC=C(c3nn4c(nnc4-c4ccccc4)s3)CC2)cc1 ZINC000226250563 571276047 /nfs/dbraw/zinc/27/60/47/571276047.db2.gz MEOVXDXIVKFIHR-UHFFFAOYSA-N 1 0 373.485 4.142 40 0 FIABRO COc1ccc(CN2C[C@@H]3C[C@@H](c4cccs4)[N@@H+]4CCC[C@]34C2)cc1 ZINC000247898693 571290938 /nfs/dbraw/zinc/29/09/38/571290938.db2.gz POZRIAYNGJCFQS-CUWPLCDZSA-N 1 0 354.519 4.168 40 0 FIABRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc2cc(F)ccc2s1 ZINC000262165290 571341153 /nfs/dbraw/zinc/34/11/53/571341153.db2.gz AHKUKJFNNHHLTQ-UHFFFAOYSA-N 1 0 361.467 4.216 40 0 FIABRO CCC(=O)N(c1cccc(F)c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000032266850 571356887 /nfs/dbraw/zinc/35/68/87/571356887.db2.gz SLTQVWMQISKVDN-UHFFFAOYSA-N 1 0 354.469 4.276 40 0 in-vitro FIABRO O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503547 575370266 /nfs/dbraw/zinc/37/02/66/575370266.db2.gz YFORTSROAPLIIP-AZUAARDMSA-N 1 0 374.459 4.274 40 0 biogenic,in-vitro FIABRO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009062783 1088866833 /nfs/dbraw/zinc/86/68/33/1088866833.db2.gz UJMJEDYOFJIGDL-UHFFFAOYSA-N 1 0 368.546 4.116 40 0 FIABRO O[C@]1(c2ccc(F)cc2)CN(c2cccc(Cl)c2)C2=[N+]1CCCCC2 ZINC000027525110 1121428866 /nfs/dbraw/zinc/42/88/66/1121428866.db2.gz WKFVOYUXQJBDHK-FQEVSTJZSA-N 1 0 359.852 4.129 40 0 FIABRO Fc1ccc(Cc2cnc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)o2)cc1 ZINC000257343379 210005280 /nfs/dbraw/zinc/00/52/80/210005280.db2.gz ZSSVVIFEBXWPLT-GOSISDBHSA-N 1 0 351.425 4.179 40 0 FIABRO CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224791556 209792411 /nfs/dbraw/zinc/79/24/11/209792411.db2.gz QGGWKMGDCBGERY-QFIPXVFZSA-N 1 0 366.505 4.065 40 0 FIABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623308 209790716 /nfs/dbraw/zinc/79/07/16/209790716.db2.gz OIQURZKAQKACAJ-INIZCTEOSA-N 1 0 372.896 4.020 40 0 FIABRO Cc1cccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)c1C ZINC000244385716 209365945 /nfs/dbraw/zinc/36/59/45/209365945.db2.gz YDTIQJMKFWBXLD-UHFFFAOYSA-N 1 0 361.493 4.478 40 0 FIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2ccccc2)Cc2c[nH]c3cccc1c23 ZINC000049171376 209333580 /nfs/dbraw/zinc/33/35/80/209333580.db2.gz ZEHPQBZGABUDOW-SFTDATJTSA-N 1 0 361.489 4.086 40 0 biogenic,in-vitro FIABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4sccc4C)C3)C2)o1 ZINC000096215926 209135594 /nfs/dbraw/zinc/13/55/94/209135594.db2.gz RJDOQJFUXJEGNM-FQEVSTJZSA-N 1 0 358.507 4.086 40 0 FIABRO O=C(Nc1ccccc1)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)C1 ZINC000096071093 209106893 /nfs/dbraw/zinc/10/68/93/209106893.db2.gz MZGIYTXTUGIWDE-NRFANRHFSA-N 1 0 353.441 4.098 40 0 FIABRO O=c1c(-c2ccccc2)nc2ccccc2n1C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005766597 207116510 /nfs/dbraw/zinc/11/65/10/207116510.db2.gz GOPUAIKZERGFBM-TZIWHRDSSA-N 1 0 373.500 4.328 40 0 FIABRO CC(C)(CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000006883151 207175377 /nfs/dbraw/zinc/17/53/77/207175377.db2.gz ZRWONAGQFUZSGG-UHFFFAOYSA-N 1 0 354.277 4.433 40 0 FIABRO O=C(COc1cccc2ccccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009991490 207291687 /nfs/dbraw/zinc/29/16/87/207291687.db2.gz HECLEYTUUJADIF-UHFFFAOYSA-N 1 0 374.484 4.131 40 0 FIABRO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4CCCC(C)(C)C4)n3)cc2)n1 ZINC000012186114 207345206 /nfs/dbraw/zinc/34/52/06/207345206.db2.gz HDBSAGGQHDYQKG-UHFFFAOYSA-N 1 0 363.465 4.124 40 0 FIABRO CCn1cncc1CN(Cc1ccc(C)o1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116746 207339758 /nfs/dbraw/zinc/33/97/58/207339758.db2.gz GCFXOCSUMBZCEV-UHFFFAOYSA-N 1 0 358.530 4.116 40 0 FIABRO COc1ccc(C2([NH2+]Cc3cncn3Cc3ccccc3)CCCC2)cc1 ZINC000012143847 207342164 /nfs/dbraw/zinc/34/21/64/207342164.db2.gz HRVLLJRIOVCJTN-UHFFFAOYSA-N 1 0 361.489 4.499 40 0 FIABRO Cc1cc(-c2snnc2C2CC[NH+](Cc3ccc(C)s3)CC2)on1 ZINC000012223979 207349953 /nfs/dbraw/zinc/34/99/53/207349953.db2.gz LYTKPZLQJUPFSN-UHFFFAOYSA-N 1 0 360.508 4.251 40 0 FIABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000012239770 207351036 /nfs/dbraw/zinc/35/10/36/207351036.db2.gz IKOCHHCVEWMIMI-GOSISDBHSA-N 1 0 371.550 4.042 40 0 FIABRO CC1CC[NH+](CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000013668410 207474662 /nfs/dbraw/zinc/47/46/62/207474662.db2.gz PRDJKQMJGOXBFF-GQCTYLIASA-N 1 0 355.309 4.245 40 0 FIABRO O=C(CSc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140237 207547394 /nfs/dbraw/zinc/54/73/94/207547394.db2.gz QYXNBASWPIXPPM-UHFFFAOYSA-N 1 0 374.937 4.344 40 0 FIABRO CCn1nc(C)c(C[N@H+](CCCn2ccnc2)Cc2ccccc2C)c1C ZINC000036740166 208171295 /nfs/dbraw/zinc/17/12/95/208171295.db2.gz DENLQMGDMXSMFT-UHFFFAOYSA-N 1 0 365.525 4.117 40 0 FIABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000038832820 208206421 /nfs/dbraw/zinc/20/64/21/208206421.db2.gz DUJMFFOAICBBPW-VQIMIIECSA-N 1 0 356.897 4.429 40 0 FIABRO COc1ccc(OC)c(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000038834795 208206868 /nfs/dbraw/zinc/20/68/68/208206868.db2.gz PANRYNRFJIAVNH-UHFFFAOYSA-N 1 0 368.477 4.332 40 0 FIABRO C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873339 208319019 /nfs/dbraw/zinc/31/90/19/208319019.db2.gz NODZEUJMQQEDPW-GOSISDBHSA-N 1 0 368.546 4.470 40 0 FIABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000044904478 208321129 /nfs/dbraw/zinc/32/11/29/208321129.db2.gz YVEDIMCPONMQIM-CEXWTWQISA-N 1 0 360.542 4.062 40 0 FIABRO COc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044906909 208321908 /nfs/dbraw/zinc/32/19/08/208321908.db2.gz VTEJKLKHMQERNP-UHFFFAOYSA-N 1 0 366.505 4.044 40 0 FIABRO Cc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044909455 208321977 /nfs/dbraw/zinc/32/19/77/208321977.db2.gz BICYUNVEMNAMQO-OAQYLSRUSA-N 1 0 368.496 4.095 40 0 FIABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000044934098 208322107 /nfs/dbraw/zinc/32/21/07/208322107.db2.gz QOEGIPJGEUPJSC-CRAIPNDOSA-N 1 0 358.432 4.054 40 0 FIABRO CCCn1nc(C)c(-c2cncn2CC2([NH+](C)C)CCC(C)CC2)c1C ZINC000072391893 208845276 /nfs/dbraw/zinc/84/52/76/208845276.db2.gz RQUCAPWIUBAIDZ-UHFFFAOYSA-N 1 0 357.546 4.284 40 0 FIABRO CC[NH+]1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCCC2)CC1 ZINC000072336008 208835552 /nfs/dbraw/zinc/83/55/52/208835552.db2.gz CAWOBNGZOZSNFV-UHFFFAOYSA-N 1 0 356.514 4.416 40 0 FIABRO O=C(c1ccc(-c2cccs2)cc1)N1C[C@H]2C[NH2+]C[C@H]2c2ccccc21 ZINC000096157005 132221067 /nfs/dbraw/zinc/22/10/67/132221067.db2.gz SXLZOEUGHZXZSO-IEBWSBKVSA-N 1 0 360.482 4.379 40 0 FIABRO c1ccc(C[N@@H+]2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)cc1 ZINC000096242545 132224019 /nfs/dbraw/zinc/22/40/19/132224019.db2.gz DMLICHBPXFTEGA-UHFFFAOYSA-N 1 0 370.500 4.031 40 0 FIABRO COc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C)n1)C2 ZINC000329039603 132372732 /nfs/dbraw/zinc/37/27/32/132372732.db2.gz RXURVOAJRACKCG-UHFFFAOYSA-N 1 0 352.482 4.101 40 0 FIABRO COc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(OC)cc1Cl ZINC000010338942 263364973 /nfs/dbraw/zinc/36/49/73/263364973.db2.gz PRKBEAHGZMLSRU-UHFFFAOYSA-N 1 0 374.868 4.205 40 0 FIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSc3ccccc3)cc2)C1 ZINC000020034847 524231975 /nfs/dbraw/zinc/23/19/75/524231975.db2.gz CCZSLZUMUNPROE-GOSISDBHSA-N 1 0 368.546 4.441 40 0 FIABRO Cc1cccc(Nc2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)n1 ZINC000257279899 524700333 /nfs/dbraw/zinc/70/03/33/524700333.db2.gz OIPNIPVWANMFGZ-UHFFFAOYSA-N 1 0 373.504 4.346 40 0 FIABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000223339303 568642182 /nfs/dbraw/zinc/64/21/82/568642182.db2.gz ZSRULTRFQGDXPX-RTBURBONSA-N 1 0 360.542 4.124 40 0 FIABRO c1csc(Nc2cccc(CC3CC[NH+](Cc4ccccn4)CC3)n2)n1 ZINC000585262550 570481516 /nfs/dbraw/zinc/48/15/16/570481516.db2.gz FANVDUOBJKBCNE-UHFFFAOYSA-N 1 0 365.506 4.131 40 0 FIABRO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)cc1C ZINC000585288812 570495132 /nfs/dbraw/zinc/49/51/32/570495132.db2.gz AICXRLREFZMWTO-MDNUFGMLSA-N 1 0 353.506 4.105 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000260492676 570631127 /nfs/dbraw/zinc/63/11/27/570631127.db2.gz IAUGYJAESYPHNB-RBUKOAKNSA-N 1 0 360.542 4.348 40 0 FIABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000006517651 570648194 /nfs/dbraw/zinc/64/81/94/570648194.db2.gz PZEGXSQMVRJJLZ-UHFFFAOYSA-N 1 0 365.521 4.378 40 0 FIABRO C[n+]1ccc(/C=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 ZINC000004932966 570674301 /nfs/dbraw/zinc/67/43/01/570674301.db2.gz IPMHLXIXNYMRBZ-UHFFFAOYSA-N 1 0 374.508 4.039 40 0 FIABRO CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)cc1 ZINC000005059303 570676885 /nfs/dbraw/zinc/67/68/85/570676885.db2.gz ACZSMXBXMDYDEV-UHFFFAOYSA-N 1 0 364.489 4.099 40 0 FIABRO O=C(c1cccc(F)c1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000003955990 570772296 /nfs/dbraw/zinc/77/22/96/570772296.db2.gz RJXCYVJLXGRCHK-UHFFFAOYSA-N 1 0 366.480 4.344 40 0 FIABRO CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000009062568 570797150 /nfs/dbraw/zinc/79/71/50/570797150.db2.gz TYVOELAPFFDSAY-UHFFFAOYSA-N 1 0 352.478 4.244 40 0 FIABRO COc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000009063378 570797764 /nfs/dbraw/zinc/79/77/64/570797764.db2.gz CCUFVSITJSJNPE-UHFFFAOYSA-N 1 0 358.869 4.199 40 0 FIABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1Cl ZINC000012480950 570813480 /nfs/dbraw/zinc/81/34/80/570813480.db2.gz DDNZZZOPARXLEL-AYHJJNSGSA-N 1 0 354.881 4.265 40 0 FIABRO CC(C)(C)C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019082152 570879887 /nfs/dbraw/zinc/87/98/87/570879887.db2.gz SRFVGNATAUYBCN-UHFFFAOYSA-N 1 0 362.945 4.388 40 0 FIABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)on1 ZINC000019120797 570880221 /nfs/dbraw/zinc/88/02/21/570880221.db2.gz UFDRLUHGLYVDTL-CQSZACIVSA-N 1 0 358.442 4.020 40 0 FIABRO CN(C(=O)CC(C)(C)C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019082520 570880288 /nfs/dbraw/zinc/88/02/88/570880288.db2.gz QPOPVAJSGCZILZ-UHFFFAOYSA-N 1 0 358.526 4.087 40 0 FIABRO Cc1cc2nc([C@H]3CC[N@H+](Cc4ccccc4)C3)cc(C(F)(F)F)n2n1 ZINC000019129117 570880992 /nfs/dbraw/zinc/88/09/92/570880992.db2.gz QCZMLHBEXBICMJ-HNNXBMFYSA-N 1 0 360.383 4.046 40 0 FIABRO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](CC4CC4)C[C@@H]32)c1 ZINC000019235242 570883014 /nfs/dbraw/zinc/88/30/14/570883014.db2.gz ZXGJEVTXYZRUSJ-DNVJHFABSA-N 1 0 366.549 4.212 40 0 FIABRO O=C(c1cn(CC[NH+]2CCCC2)c2c1ccnc2Cl)c1ccc(F)cc1 ZINC000019332293 570886449 /nfs/dbraw/zinc/88/64/49/570886449.db2.gz SIPKNOURJIPCDE-UHFFFAOYSA-N 1 0 371.843 4.156 40 0 FIABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(OC)cc3)[C@H]3CCCC[C@@H]32)cn1 ZINC000019525792 570891666 /nfs/dbraw/zinc/89/16/66/570891666.db2.gz YALMPFORSXQCOG-SQOUVECCSA-N 1 0 365.521 4.500 40 0 FIABRO Cc1cc(C)n(C2CC[NH+](Cc3c(C)n(C)nc3-c3ccccc3)CC2)n1 ZINC000019658566 570896831 /nfs/dbraw/zinc/89/68/31/570896831.db2.gz BXSHFFVCRGHQPM-UHFFFAOYSA-N 1 0 363.509 4.046 40 0 FIABRO CC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020105789 570909878 /nfs/dbraw/zinc/90/98/78/570909878.db2.gz MGPIAZQYJFFRAE-UHFFFAOYSA-N 1 0 350.462 4.373 40 0 FIABRO C[C@@H]([NH2+]CCN(C)C)[C@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000022586833 570946993 /nfs/dbraw/zinc/94/69/93/570946993.db2.gz OQLPSYJNZRYLOQ-JBAFFBOFSA-N 1 0 370.581 4.404 40 0 in-vitro FIABRO O=C(CCc1ccccc1F)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024182299 570972492 /nfs/dbraw/zinc/97/24/92/570972492.db2.gz GUCRYJZENSIPDI-UHFFFAOYSA-N 1 0 354.469 4.061 40 0 FIABRO C[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189511 570972741 /nfs/dbraw/zinc/97/27/41/570972741.db2.gz IURKTFBAYFSEFG-QGZVFWFLSA-N 1 0 354.519 4.079 40 0 FIABRO O=C(NCCOc1ccccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224095578 570976970 /nfs/dbraw/zinc/97/69/70/570976970.db2.gz NOROMKLLDPZOCW-UHFFFAOYSA-N 1 0 372.896 4.135 40 0 FIABRO CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000224637958 570995533 /nfs/dbraw/zinc/99/55/33/570995533.db2.gz ICRQLYGZOFUDDP-UHFFFAOYSA-N 1 0 372.896 4.265 40 0 FIABRO CCSc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224627617 570995675 /nfs/dbraw/zinc/99/56/75/570995675.db2.gz DNZRTWREZQSHGJ-UHFFFAOYSA-N 1 0 354.519 4.324 40 0 FIABRO CCc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224840138 571001901 /nfs/dbraw/zinc/00/19/01/571001901.db2.gz VIFNPYZYNGXKMR-UHFFFAOYSA-N 1 0 364.533 4.484 40 0 FIABRO O=C(CCSc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000026949929 571009011 /nfs/dbraw/zinc/00/90/11/571009011.db2.gz JRGSDVPQWZBHQF-UHFFFAOYSA-N 1 0 368.546 4.471 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000224989274 571009241 /nfs/dbraw/zinc/00/92/41/571009241.db2.gz VOQYVBICIBSCEH-KRWDZBQOSA-N 1 0 366.933 4.268 40 0 FIABRO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039761025 571023107 /nfs/dbraw/zinc/02/31/07/571023107.db2.gz JVWGHQYTIDSNTG-SFHVURJKSA-N 1 0 366.505 4.093 40 0 FIABRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039766916 571023667 /nfs/dbraw/zinc/02/36/67/571023667.db2.gz QNLHAMGLHPYNIT-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039767734 571023673 /nfs/dbraw/zinc/02/36/73/571023673.db2.gz QHHQTRCDYFCCQD-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO CC1CC[NH+](CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000225331084 571028612 /nfs/dbraw/zinc/02/86/12/571028612.db2.gz VJWRWGPGFCTYOR-UHFFFAOYSA-N 1 0 357.325 4.164 40 0 FIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSC3CCCC3)cc2)C1 ZINC000225375678 571031770 /nfs/dbraw/zinc/03/17/70/571031770.db2.gz GJUYQRULALBSNV-KRWDZBQOSA-N 1 0 360.567 4.324 40 0 FIABRO c1ccc(CNc2ccc3nc([C@@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)cc1 ZINC000306136545 571039456 /nfs/dbraw/zinc/03/94/56/571039456.db2.gz PWIKDUWJYCDKQN-GOSISDBHSA-N 1 0 361.493 4.073 40 0 FIABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225602989 571048552 /nfs/dbraw/zinc/04/85/52/571048552.db2.gz RBROHHGBHQVTFE-LAUBAEHRSA-N 1 0 362.514 4.084 40 0 FIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225619085 571050256 /nfs/dbraw/zinc/05/02/56/571050256.db2.gz NLEWATRLALFBFX-NRFANRHFSA-N 1 0 364.530 4.331 40 0 FIABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225635201 571051469 /nfs/dbraw/zinc/05/14/69/571051469.db2.gz QLUUQENQDOSFIU-PGRDOPGGSA-N 1 0 374.525 4.085 40 0 FIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000225728964 571060028 /nfs/dbraw/zinc/06/00/28/571060028.db2.gz WVUZWHNHIWSNSU-OKILXGFUSA-N 1 0 373.488 4.360 40 0 FIABRO c1ccc(Oc2ccc(-c3cnc(OCC4CC[NH2+]CC4)nc3)cc2)cc1 ZINC000096675127 571098764 /nfs/dbraw/zinc/09/87/64/571098764.db2.gz NBYWHHQFTBVTFD-UHFFFAOYSA-N 1 0 361.445 4.314 40 0 FIABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000044848426 571102886 /nfs/dbraw/zinc/10/28/86/571102886.db2.gz MOBUYNKVVRHSQH-VQTJNVASSA-N 1 0 360.542 4.232 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCC1 ZINC000260812582 571123314 /nfs/dbraw/zinc/12/33/14/571123314.db2.gz GZKIRXFLNCXRIA-SFHVURJKSA-N 1 0 374.525 4.085 40 0 FIABRO Fc1ccccc1Cc1cnc([C@H]2CCC[N@H+](Cc3ccccn3)C2)o1 ZINC000257207106 571149821 /nfs/dbraw/zinc/14/98/21/571149821.db2.gz BGJLUTUGNZSTSR-KRWDZBQOSA-N 1 0 351.425 4.179 40 0 FIABRO CNc1nc([C@@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)c2sccn12 ZINC000257216034 571151184 /nfs/dbraw/zinc/15/11/84/571151184.db2.gz CSUYOQLJVRZWFC-INIZCTEOSA-N 1 0 366.490 4.050 40 0 FIABRO Cc1ncsc1C[N@@H+]1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257255910 571154803 /nfs/dbraw/zinc/15/48/03/571154803.db2.gz KJJRRXWVGNGBPM-CIWUYKSXSA-N 1 0 370.518 4.343 40 0 FIABRO COc1cccc(Cc2cnc([C@H]3CC[N@H+](Cc4scnc4C)C3)o2)c1 ZINC000257324001 571162041 /nfs/dbraw/zinc/16/20/41/571162041.db2.gz WMTOMTRORHELOB-INIZCTEOSA-N 1 0 369.490 4.028 40 0 FIABRO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072350274 571181696 /nfs/dbraw/zinc/18/16/96/571181696.db2.gz KNFNMJSITWRIPX-GOSISDBHSA-N 1 0 364.468 4.484 40 0 FIABRO CC(=O)NCc1cnc([C@H]2CCC[N@@H+]2C2CCCCC2)cc1C(F)(F)F ZINC000072355974 571182354 /nfs/dbraw/zinc/18/23/54/571182354.db2.gz RBPWCKHZWDOESV-GOSISDBHSA-N 1 0 369.431 4.206 40 0 FIABRO Cc1[nH]c2cccc(C(=O)N3CCC([C@H]4CCCC[N@H+]4C)CC3)c2c1C ZINC000072354289 571182509 /nfs/dbraw/zinc/18/25/09/571182509.db2.gz DMKOPSFLGUYRBY-HXUWFJFHSA-N 1 0 353.510 4.121 40 0 FIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)n2)c1 ZINC000072369867 571185134 /nfs/dbraw/zinc/18/51/34/571185134.db2.gz KGKMTLGAWLCIRV-MRXNPFEDSA-N 1 0 369.852 4.388 40 0 FIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4cccc(Cl)c4)C3)n2)c1 ZINC000072369882 571185152 /nfs/dbraw/zinc/18/51/52/571185152.db2.gz XYMSUZGJQPIXCI-INIZCTEOSA-N 1 0 369.852 4.388 40 0 FIABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000072375920 571185761 /nfs/dbraw/zinc/18/57/61/571185761.db2.gz IKOSIOOAZLPIIL-KRWDZBQOSA-N 1 0 363.440 4.134 40 0 FIABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+]3CCc3ccccc3)n2)nc1 ZINC000072377562 571186696 /nfs/dbraw/zinc/18/66/96/571186696.db2.gz UQTRQGQHGXOPBE-HXUWFJFHSA-N 1 0 359.477 4.303 40 0 FIABRO c1cc([C@@H]2CCCC[N@H+]2CC2CCCCC2)nc(Nc2cncnc2)n1 ZINC000072377852 571187068 /nfs/dbraw/zinc/18/70/68/571187068.db2.gz SAFBCJIJGYPLKI-IBGZPJMESA-N 1 0 352.486 4.118 40 0 FIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379078 571187400 /nfs/dbraw/zinc/18/74/00/571187400.db2.gz ZUANFGFBVZMUHF-SFHVURJKSA-N 1 0 364.468 4.348 40 0 FIABRO O=C(Nc1cccc(-n2cccn2)c1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000035322722 571192542 /nfs/dbraw/zinc/19/25/42/571192542.db2.gz NVXHMMZKJUQGDF-OAQYLSRUSA-N 1 0 360.461 4.038 40 0 FIABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)CC2)N1CC1CCCCC1 ZINC000585100865 571222495 /nfs/dbraw/zinc/22/24/95/571222495.db2.gz ZLIZZQZOROVUHP-QFIPXVFZSA-N 1 0 355.526 4.009 40 0 FIABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000585182385 571238428 /nfs/dbraw/zinc/23/84/28/571238428.db2.gz BOFOXENPAOXIPH-MRXNPFEDSA-N 1 0 372.476 4.036 40 0 FIABRO COc1ccc(CN2C[C@@H]3C[C@@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000019554857 571304088 /nfs/dbraw/zinc/30/40/88/571304088.db2.gz POZRIAYNGJCFQS-HFSMHLIXSA-N 1 0 354.519 4.168 40 0 FIABRO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2-c2ccccc2F)N1 ZINC000019713222 571304685 /nfs/dbraw/zinc/30/46/85/571304685.db2.gz LMFHXPAZFSYQHM-LEWJYISDSA-N 1 0 352.453 4.126 40 0 FIABRO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2CCc2ccccc2)N1Cc1ccccc1 ZINC000019713180 571327113 /nfs/dbraw/zinc/32/71/13/571327113.db2.gz JXAFYVYNFSTAGP-PKTZIBPZSA-N 1 0 362.517 4.275 40 0 FIABRO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000223233318 209751575 /nfs/dbraw/zinc/75/15/75/209751575.db2.gz FIMXIJFJDBFBPX-KRWDZBQOSA-N 1 0 368.496 4.478 40 0 FIABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)o2)cc1 ZINC000049170105 209334550 /nfs/dbraw/zinc/33/45/50/209334550.db2.gz PKXFTISDJPFKGY-HNNXBMFYSA-N 1 0 371.387 4.013 40 0 biogenic,in-vitro FIABRO Cc1ccn(CC[NH2+]Cc2cc(-c3ccccc3)cnc2-c2ccncc2)n1 ZINC000012233860 219971298 /nfs/dbraw/zinc/97/12/98/219971298.db2.gz KVYRDJFFKLNKBW-UHFFFAOYSA-N 1 0 369.472 4.105 40 0 FIABRO O=C(NC1CC1)[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096241654 209143620 /nfs/dbraw/zinc/14/36/20/209143620.db2.gz QKSJXFSKMLPVMZ-LJQANCHMSA-N 1 0 366.530 4.048 40 0 FIABRO O=C(c1ccncc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096214607 209135846 /nfs/dbraw/zinc/13/58/46/209135846.db2.gz SMESZIZIHBFYRB-NRFANRHFSA-N 1 0 369.896 4.006 40 0 FIABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4sccc4C)C3)C2)o1 ZINC000096215928 209135716 /nfs/dbraw/zinc/13/57/16/209135716.db2.gz RJDOQJFUXJEGNM-HXUWFJFHSA-N 1 0 358.507 4.086 40 0 FIABRO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)cc1 ZINC000096215811 209136245 /nfs/dbraw/zinc/13/62/45/209136245.db2.gz LBMOANJEOXTYGQ-NRFANRHFSA-N 1 0 355.551 4.194 40 0 FIABRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2nncs2)C3)cc1 ZINC000096217199 209136252 /nfs/dbraw/zinc/13/62/52/209136252.db2.gz MKGXKMDYWZTHRR-FQEVSTJZSA-N 1 0 356.539 4.154 40 0 FIABRO CCC[NH+]1CCC(c2cc3c(ncn3C(C)C)c(-c3cnn(C)c3)n2)CC1 ZINC000096155670 209126566 /nfs/dbraw/zinc/12/65/66/209126566.db2.gz CHLFFZJXAYRZNX-UHFFFAOYSA-N 1 0 366.513 4.002 40 0 FIABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000040373055 206658866 /nfs/dbraw/zinc/65/88/66/206658866.db2.gz ZANHFFQEVFCQHR-VIZSFHNOSA-N 1 0 367.533 4.174 40 0 FIABRO CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000001657963 206890860 /nfs/dbraw/zinc/89/08/60/206890860.db2.gz JUBNVWGVNWIXMB-SJORKVTESA-N 1 0 355.309 4.472 40 0 in-vitro FIABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000004882239 207058286 /nfs/dbraw/zinc/05/82/86/207058286.db2.gz NVWVDICKUFFJGW-IHWFROFDSA-N 1 0 354.881 4.265 40 0 FIABRO CC[C@H](C)[NH2+]C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005875946 207119973 /nfs/dbraw/zinc/11/99/73/207119973.db2.gz DSOCMSSZHZEROG-RXHHBCLFSA-N 1 0 357.538 4.282 40 0 FIABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000006462827 207141469 /nfs/dbraw/zinc/14/14/69/207141469.db2.gz KBDQYOHWDRBVSH-UHFFFAOYSA-N 1 0 360.498 4.094 40 0 FIABRO COC(=O)c1cccc2nc([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)oc21 ZINC000035446930 207179446 /nfs/dbraw/zinc/17/94/46/207179446.db2.gz BGVWRDUNZCKFAB-AWEZNQCLSA-N 1 0 370.836 4.257 40 0 biogenic,in-vitro FIABRO CN1CCC([NH2+][C@H]2C[C@@H](Cc3cc(-c4ccc(F)cc4)on3)C2(C)C)CC1 ZINC000067889830 207213547 /nfs/dbraw/zinc/21/35/47/207213547.db2.gz HTMARMHTKJFYOP-IERDGZPVSA-N 1 0 371.500 4.122 40 0 biogenic,in-vitro FIABRO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008535075 207236501 /nfs/dbraw/zinc/23/65/01/207236501.db2.gz FEPWRAFNAHUJLC-GFCCVEGCSA-N 1 0 370.276 4.051 40 0 FIABRO O=C(Nc1ccccc1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000036585212 207285309 /nfs/dbraw/zinc/28/53/09/207285309.db2.gz XGQJJHMAEVRMPC-KOUHRCEDSA-N 1 0 351.494 4.114 40 0 FIABRO COc1ccc(OC)c(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)c1 ZINC000012188675 207346665 /nfs/dbraw/zinc/34/66/65/207346665.db2.gz MUQCMXCAXPCCMZ-UHFFFAOYSA-N 1 0 363.461 4.027 40 0 FIABRO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CC[NH+](CC4CC4)CC3)cc2N1 ZINC000012220333 207348904 /nfs/dbraw/zinc/34/89/04/207348904.db2.gz XHPTZJYZUDXQSI-DOTOQJQBSA-N 1 0 370.463 4.416 40 0 FIABRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCCOC)c(OC)c1 ZINC000012241229 207350958 /nfs/dbraw/zinc/35/09/58/207350958.db2.gz PZTFYUFOKPUDDS-KRWDZBQOSA-N 1 0 361.507 4.291 40 0 FIABRO COc1ccccc1C1(O)CC[NH+](Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000012293061 207352611 /nfs/dbraw/zinc/35/26/11/207352611.db2.gz KXXDOFFILPBDTH-UHFFFAOYSA-N 1 0 368.452 4.108 40 0 FIABRO CCCc1ccc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)s1 ZINC000012330697 207363722 /nfs/dbraw/zinc/36/37/22/207363722.db2.gz XKHLCQAITWWSCZ-UHFFFAOYSA-N 1 0 374.525 4.467 40 0 FIABRO Cn1cc([C@H](O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000012330345 207363753 /nfs/dbraw/zinc/36/37/53/207363753.db2.gz JCXCNWJVSOOQRF-JOCHJYFZSA-N 1 0 350.437 4.140 40 0 FIABRO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCCC1 ZINC000038832694 208206099 /nfs/dbraw/zinc/20/60/99/208206099.db2.gz POFDSRRVVUOTFI-CQSZACIVSA-N 1 0 355.309 4.218 40 0 FIABRO CC(=O)Nc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000038857725 208208744 /nfs/dbraw/zinc/20/87/44/208208744.db2.gz KDIKCGDLFQIWJF-MRXNPFEDSA-N 1 0 365.477 4.129 40 0 FIABRO Cc1cc(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)cc(C)c1O ZINC000043277852 208304353 /nfs/dbraw/zinc/30/43/53/208304353.db2.gz OTTIGKMPCDLQMB-UHFFFAOYSA-N 1 0 367.468 4.437 40 0 FIABRO O=C(Cc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000045581832 208336782 /nfs/dbraw/zinc/33/67/82/208336782.db2.gz FTDWLHICBQUZGU-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000044904483 208321542 /nfs/dbraw/zinc/32/15/42/208321542.db2.gz YVEDIMCPONMQIM-GUDVDZBRSA-N 1 0 360.542 4.062 40 0 FIABRO O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044932966 208321820 /nfs/dbraw/zinc/32/18/20/208321820.db2.gz CABHMTIXRDPSCZ-KNQAVFIVSA-N 1 0 366.480 4.232 40 0 FIABRO O=C(NCCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044909192 208322682 /nfs/dbraw/zinc/32/26/82/208322682.db2.gz HAJMTEAQMXSXHK-HXUWFJFHSA-N 1 0 370.924 4.301 40 0 FIABRO Cc1cccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044909685 208323381 /nfs/dbraw/zinc/32/33/81/208323381.db2.gz QPOULKAHGSAYMM-OAQYLSRUSA-N 1 0 368.496 4.095 40 0 FIABRO C[C@H]1C[C@H]1C(=O)NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1 ZINC000045209799 208327618 /nfs/dbraw/zinc/32/76/18/208327618.db2.gz XVAUQMOGZLUEQB-GHTZIAJQSA-N 1 0 354.538 4.125 40 0 FIABRO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096047019 209101128 /nfs/dbraw/zinc/10/11/28/209101128.db2.gz RVFNSQLQERHRAF-HXUWFJFHSA-N 1 0 358.482 4.016 40 0 FIABRO O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047269 209099577 /nfs/dbraw/zinc/09/95/77/209099577.db2.gz DCNMUORRCCQDHK-UHFFFAOYSA-N 1 0 360.548 4.328 40 0 FIABRO Cc1cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc(C)c1OCc1ccccc1 ZINC000095095393 209021588 /nfs/dbraw/zinc/02/15/88/209021588.db2.gz SXMJNEUMSGXMEE-GOSISDBHSA-N 1 0 363.461 4.399 40 0 FIABRO CCc1cc(N2Cc3ccccc3CC2(C)C)nc(NCc2ccccc2)[nH+]1 ZINC000328996024 132372406 /nfs/dbraw/zinc/37/24/06/132372406.db2.gz JKBQACLVQWIYDZ-UHFFFAOYSA-N 1 0 372.516 4.414 40 0 FIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(OC)cc3)o2)cc1 ZINC000007538612 263351854 /nfs/dbraw/zinc/35/18/54/263351854.db2.gz NIMFQUCTJOMUDI-UHFFFAOYSA-N 1 0 365.429 4.422 40 0 FIABRO CCOc1cc(C[NH2+]CCN(CC)CC)ccc1OCc1cccs1 ZINC000022076375 263384925 /nfs/dbraw/zinc/38/49/25/263384925.db2.gz XLDRKROLRKFDGZ-UHFFFAOYSA-N 1 0 362.539 4.157 40 0 FIABRO CC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020111023 518442977 /nfs/dbraw/zinc/44/29/77/518442977.db2.gz GYWKCRADQUQVFG-MRXNPFEDSA-N 1 0 350.462 4.373 40 0 FIABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020492941 522919503 /nfs/dbraw/zinc/91/95/03/522919503.db2.gz KTSWWLDYQLGQTL-SFHVURJKSA-N 1 0 368.974 4.449 40 0 FIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccco3)cc2)C1 ZINC000020488582 524233902 /nfs/dbraw/zinc/23/39/02/524233902.db2.gz IETSQEIOQPGYDZ-QGZVFWFLSA-N 1 0 372.534 4.175 40 0 FIABRO Cc1cccc(C[N@H+]2CC=CC[C@H](C(=O)NCc3ccc(F)cc3)[C@H]2C)c1 ZINC000057776457 568299506 /nfs/dbraw/zinc/29/95/06/568299506.db2.gz CLLOJAVFLTYAOB-GCJKJVERSA-N 1 0 366.480 4.217 40 0 FIABRO C[N@H+](CCc1ccccc1)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585288788 570495137 /nfs/dbraw/zinc/49/51/37/570495137.db2.gz ABCVHIBEXQZJSZ-PWRODBHTSA-N 1 0 359.897 4.175 40 0 FIABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000044934101 570539180 /nfs/dbraw/zinc/53/91/80/570539180.db2.gz QOEGIPJGEUPJSC-YJBOKZPZSA-N 1 0 358.432 4.054 40 0 FIABRO Cc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)c(C)c1 ZINC000008670224 570684801 /nfs/dbraw/zinc/68/48/01/570684801.db2.gz IGFNRAFAQVZOFX-AYHJJNSGSA-N 1 0 369.534 4.378 40 0 FIABRO O=C(NCCSc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010336400 570700295 /nfs/dbraw/zinc/70/02/95/570700295.db2.gz IAPRGOCPRFQBRT-UHFFFAOYSA-N 1 0 374.937 4.458 40 0 FIABRO CCOc1ncccc1-c1noc(C[N@@H+]2CCCC3(CCCCC3)C2)n1 ZINC000012236363 570730491 /nfs/dbraw/zinc/73/04/91/570730491.db2.gz ZGSMOPVHIFNGKR-UHFFFAOYSA-N 1 0 356.470 4.077 40 0 FIABRO O=C(NCCC[NH+]1CCCCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000013645939 570782106 /nfs/dbraw/zinc/78/21/06/570782106.db2.gz NVOXYEZJCPUPFS-DYTRJAOYSA-N 1 0 352.478 4.203 40 0 FIABRO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000009063100 570797360 /nfs/dbraw/zinc/79/73/60/570797360.db2.gz LAKHCWZTKYZHCD-UHFFFAOYSA-N 1 0 352.478 4.244 40 0 FIABRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063495 570797770 /nfs/dbraw/zinc/79/77/70/570797770.db2.gz PELDPGSKJALJQS-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO CC1CC[NH+](CCCNC(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000010540893 570804016 /nfs/dbraw/zinc/80/40/16/570804016.db2.gz SNYXEBARCRXJKY-UHFFFAOYSA-N 1 0 350.462 4.438 40 0 FIABRO O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015139947 570834652 /nfs/dbraw/zinc/83/46/52/570834652.db2.gz IIKIXCOCLRQDDJ-FMIVXFBMSA-N 1 0 354.881 4.265 40 0 FIABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)on1 ZINC000019120775 570880261 /nfs/dbraw/zinc/88/02/61/570880261.db2.gz NMVLZIFDIZHQNH-CQSZACIVSA-N 1 0 358.442 4.020 40 0 FIABRO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)CC2CCCCC2)on1 ZINC000019120640 570880391 /nfs/dbraw/zinc/88/03/91/570880391.db2.gz LFCMHOJSTWJTPA-IFMALSPDSA-N 1 0 369.509 4.018 40 0 FIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccc(C)cc1 ZINC000019210126 570881790 /nfs/dbraw/zinc/88/17/90/570881790.db2.gz HDLLHSPAZMDUQP-UHFFFAOYSA-N 1 0 358.551 4.089 40 0 FIABRO Fc1ccc([C@@H]2COC[C@H]2[N@H+](Cc2ccsc2)Cc2ccncc2)cc1 ZINC000019336214 570886190 /nfs/dbraw/zinc/88/61/90/570886190.db2.gz FRLIDQQTFWEXLA-LEWJYISDSA-N 1 0 368.477 4.467 40 0 FIABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000019455626 570889696 /nfs/dbraw/zinc/88/96/96/570889696.db2.gz SOLADNXPSBPMSJ-WZONZLPQSA-N 1 0 365.521 4.165 40 0 FIABRO Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccc(F)cc3)CC2)o1 ZINC000019563188 570893628 /nfs/dbraw/zinc/89/36/28/570893628.db2.gz YLJSHNICZMWFNP-UHFFFAOYSA-N 1 0 358.442 4.020 40 0 FIABRO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3nc4ccccc4s3)c2c1 ZINC000019798226 570903269 /nfs/dbraw/zinc/90/32/69/570903269.db2.gz UHGUYQAPFGLKAH-UHFFFAOYSA-N 1 0 351.475 4.427 40 0 FIABRO CCOc1ccc(Br)cc1C[NH2+]CCc1ccccc1F ZINC000022074620 570939372 /nfs/dbraw/zinc/93/93/72/570939372.db2.gz HLIXAFHKQWPIFB-UHFFFAOYSA-N 1 0 352.247 4.319 40 0 FIABRO C[C@H](Sc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114827 570972267 /nfs/dbraw/zinc/97/22/67/570972267.db2.gz IYOVWTPMRZWWGE-KRWDZBQOSA-N 1 0 354.519 4.079 40 0 FIABRO O=C(CCc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024618429 570979293 /nfs/dbraw/zinc/97/92/93/570979293.db2.gz MFJXKGYGZYANBL-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000224517069 570991934 /nfs/dbraw/zinc/99/19/34/570991934.db2.gz GFGNVEJPEOIVLF-UHFFFAOYSA-N 1 0 372.896 4.265 40 0 FIABRO C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000224532798 570992369 /nfs/dbraw/zinc/99/23/69/570992369.db2.gz CFJWAPWDCQSDFX-QGZVFWFLSA-N 1 0 370.924 4.472 40 0 FIABRO Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000224536669 570992794 /nfs/dbraw/zinc/99/27/94/570992794.db2.gz GWLKJLHGGOWECB-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO O=C(Cc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224666770 570996530 /nfs/dbraw/zinc/99/65/30/570996530.db2.gz QMCAHSXYJSVVBC-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Cl ZINC000224802042 571001486 /nfs/dbraw/zinc/00/14/86/571001486.db2.gz FTQYHJZHLMRCNX-UHFFFAOYSA-N 1 0 372.896 4.265 40 0 FIABRO CC(C)(Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224881007 571003701 /nfs/dbraw/zinc/00/37/01/571003701.db2.gz LMLNOAHDEFNJRO-UHFFFAOYSA-N 1 0 350.506 4.424 40 0 FIABRO CC(C)c1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000225216846 571022658 /nfs/dbraw/zinc/02/26/58/571022658.db2.gz PKSFIOCCUFWXKF-UHFFFAOYSA-N 1 0 363.596 4.020 40 0 FIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSC3CCCC3)cc2)C1 ZINC000225375644 571031656 /nfs/dbraw/zinc/03/16/56/571031656.db2.gz GJUYQRULALBSNV-QGZVFWFLSA-N 1 0 360.567 4.324 40 0 FIABRO FC(F)(F)c1cc(NC(=S)NCCC[NH+]2CCCC2)ccc1Cl ZINC000225433238 571034898 /nfs/dbraw/zinc/03/48/98/571034898.db2.gz YTDXBDUTQSPPSZ-UHFFFAOYSA-N 1 0 365.852 4.131 40 0 FIABRO Cc1ccc(NC(=S)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225455633 571036605 /nfs/dbraw/zinc/03/66/05/571036605.db2.gz IWJWVQCWFKQPEM-UHFFFAOYSA-N 1 0 355.507 4.277 40 0 FIABRO C[NH+]1CCC(Oc2ccc(NC(=S)Nc3ccc(F)cc3)cc2)CC1 ZINC000225460456 571036863 /nfs/dbraw/zinc/03/68/63/571036863.db2.gz BFOZOYJVYOJIJU-UHFFFAOYSA-N 1 0 359.470 4.108 40 0 FIABRO c1nc([C@@H]2CCCN2Cc2ccncc2)c2ccc(-c3cccnc3)cn12 ZINC000306144588 571042870 /nfs/dbraw/zinc/04/28/70/571042870.db2.gz ZJMSPLIAZPBBRQ-FQEVSTJZSA-N 1 0 355.445 4.128 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC(C)C)cc1 ZINC000225583245 571047478 /nfs/dbraw/zinc/04/74/78/571047478.db2.gz BLRHSACWFSVAON-GOSISDBHSA-N 1 0 363.571 4.415 40 0 FIABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225615087 571049836 /nfs/dbraw/zinc/04/98/36/571049836.db2.gz FUSRSTORWLWUMS-UHFFFAOYSA-N 1 0 364.530 4.043 40 0 FIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225672562 571054816 /nfs/dbraw/zinc/05/48/16/571054816.db2.gz WDMOMCRGJGTGSV-JOCHJYFZSA-N 1 0 374.525 4.085 40 0 FIABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225688425 571055815 /nfs/dbraw/zinc/05/58/15/571055815.db2.gz UHPRGSIRMYUIDS-OAQYLSRUSA-N 1 0 364.530 4.187 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCCC1 ZINC000225706702 571057710 /nfs/dbraw/zinc/05/77/10/571057710.db2.gz IIETXEJLYGIMCN-UHFFFAOYSA-N 1 0 374.525 4.085 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCC1 ZINC000225706741 571057715 /nfs/dbraw/zinc/05/77/15/571057715.db2.gz GZKIRXFLNCXRIA-GOSISDBHSA-N 1 0 374.525 4.085 40 0 FIABRO CC[C@H]1c2ccc(C)n2CCN1Cc1ccccc1OCCC[NH+](C)C ZINC000057811480 571123058 /nfs/dbraw/zinc/12/30/58/571123058.db2.gz PBCPAXPUWWVFPI-FQEVSTJZSA-N 1 0 355.526 4.094 40 0 FIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812470 571123409 /nfs/dbraw/zinc/12/34/09/571123409.db2.gz CCENMCPYDUNJRR-DYESRHJHSA-N 1 0 362.514 4.084 40 0 FIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812475 571123432 /nfs/dbraw/zinc/12/34/32/571123432.db2.gz CCENMCPYDUNJRR-UTKZUKDTSA-N 1 0 362.514 4.084 40 0 FIABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000257200095 571149062 /nfs/dbraw/zinc/14/90/62/571149062.db2.gz ABYQQQSEZURJBS-AWEZNQCLSA-N 1 0 357.523 4.120 40 0 FIABRO Cc1ccc2c(c1)OC1(CC[NH+](Cc3ccccn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257209290 571150141 /nfs/dbraw/zinc/15/01/41/571150141.db2.gz BPTYHACSWGTQRK-RBBKRZOGSA-N 1 0 364.489 4.285 40 0 FIABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)COC(C)C)C3)c2)cc1 ZINC000257268919 571156418 /nfs/dbraw/zinc/15/64/18/571156418.db2.gz MNUMPJDGDRHZEV-GOSISDBHSA-N 1 0 367.493 4.183 40 0 FIABRO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2ccncc2C)nc(C)n1 ZINC000257281744 571157847 /nfs/dbraw/zinc/15/78/47/571157847.db2.gz OQUCUDQZTXAMNH-HXUWFJFHSA-N 1 0 374.492 4.273 40 0 FIABRO O=C1O[C@]2(CN1Cc1ccccc1)CCC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000257302929 571159860 /nfs/dbraw/zinc/15/98/60/571159860.db2.gz SFAUWECOZFTUOC-JOCHJYFZSA-N 1 0 368.452 4.203 40 0 FIABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3ccncc3C)C2)n1 ZINC000257323289 571161889 /nfs/dbraw/zinc/16/18/89/571161889.db2.gz WJNBCRFTLLKTAF-SFHVURJKSA-N 1 0 362.477 4.121 40 0 FIABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072349953 571181416 /nfs/dbraw/zinc/18/14/16/571181416.db2.gz DYOIHNICOKYEGD-QGZVFWFLSA-N 1 0 350.441 4.001 40 0 FIABRO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072350104 571181737 /nfs/dbraw/zinc/18/17/37/571181737.db2.gz XKRLPJRKUPYDFR-IBGZPJMESA-N 1 0 366.505 4.039 40 0 FIABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350100 571181758 /nfs/dbraw/zinc/18/17/58/571181758.db2.gz QDCSDYOJGGYACP-LJQANCHMSA-N 1 0 366.505 4.039 40 0 FIABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)c1 ZINC000072357681 571182731 /nfs/dbraw/zinc/18/27/31/571182731.db2.gz UUOAMTFAKLIYOI-QHCPKHFHSA-N 1 0 359.473 4.413 40 0 FIABRO c1cnc(Nc2nccc([C@H]3CCCC[N@H+]3CC3CCCCC3)n2)cn1 ZINC000072377847 571186595 /nfs/dbraw/zinc/18/65/95/571186595.db2.gz ZYSNKGNXADZGTL-GOSISDBHSA-N 1 0 352.486 4.118 40 0 FIABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072379109 571187566 /nfs/dbraw/zinc/18/75/66/571187566.db2.gz ZLGYHQJKBXREGA-OAQYLSRUSA-N 1 0 360.505 4.388 40 0 FIABRO Cc1noc2nc([C@H]3CCC[N@H+](Cc4ccncc4)C3)cc(C(F)F)c12 ZINC000072390186 571189611 /nfs/dbraw/zinc/18/96/11/571189611.db2.gz DHZADJLRYYOJKO-AWEZNQCLSA-N 1 0 358.392 4.243 40 0 FIABRO c1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)cc1 ZINC000585105302 571224363 /nfs/dbraw/zinc/22/43/63/571224363.db2.gz SPWOICCOVKUTRW-JOCHJYFZSA-N 1 0 366.505 4.060 40 0 FIABRO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC[C@@H]21 ZINC000585107999 571225280 /nfs/dbraw/zinc/22/52/80/571225280.db2.gz SSSRNBUZKPXCEU-MDNKFWRPSA-N 1 0 360.929 4.022 40 0 FIABRO Cc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000199737705 571278179 /nfs/dbraw/zinc/27/81/79/571278179.db2.gz KCKBITUHBYKWOM-UHFFFAOYSA-N 1 0 359.311 4.075 40 0 FIABRO COc1ccc([C@@H]2C[C@H]3NC(=O)CCC[C@@H]3[N@@H+]2CC2CCCCC2)cc1 ZINC000019713475 571304896 /nfs/dbraw/zinc/30/48/96/571304896.db2.gz SOWSPXDRSCRGNU-HKBOAZHASA-N 1 0 356.510 4.060 40 0 FIABRO C[C@H]([NH2+]CCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000025546121 571305221 /nfs/dbraw/zinc/30/52/21/571305221.db2.gz OQLPSYJNZRYLOQ-JQBCYXRUSA-N 1 0 370.581 4.404 40 0 FIABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000030755121 571305282 /nfs/dbraw/zinc/30/52/82/571305282.db2.gz HTGICZVNLJPYDU-WOJBJXKFSA-N 1 0 360.542 4.232 40 0 FIABRO O=C(CCSCc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224618564 209789098 /nfs/dbraw/zinc/78/90/98/209789098.db2.gz UCLCXGKCEFELDS-UHFFFAOYSA-N 1 0 368.546 4.222 40 0 FIABRO CCOc1c(Br)cc(C[NH2+]CCc2ccccc2)cc1OC ZINC000022074373 209660926 /nfs/dbraw/zinc/66/09/26/209660926.db2.gz YNVPWEJZUSHYFT-UHFFFAOYSA-N 1 0 364.283 4.189 40 0 FIABRO COc1ccc(-c2c(NCc3ccccc3)[n+]3ccc(C)cc3n2C)cc1 ZINC000001376148 209390897 /nfs/dbraw/zinc/39/08/97/209390897.db2.gz WOBXMVXROTUCSN-UHFFFAOYSA-N 1 0 358.465 4.360 40 0 FIABRO Cc1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000000794535 209375990 /nfs/dbraw/zinc/37/59/90/209375990.db2.gz SNOPWBIPXIYEHI-ZDUSSCGKSA-N 1 0 351.233 4.091 40 0 FIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 ZINC000049169784 209333933 /nfs/dbraw/zinc/33/39/33/209333933.db2.gz JWEJVYTZDMSNFK-SFHVURJKSA-N 1 0 372.472 4.440 40 0 biogenic,in-vitro FIABRO COc1cccc(N[C@H]2COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)c1 ZINC000096221408 209137893 /nfs/dbraw/zinc/13/78/93/209137893.db2.gz JZLPMCQDUSRRMU-HXUWFJFHSA-N 1 0 370.468 4.070 40 0 FIABRO c1ccc(-c2ccc3nc(C4CC[NH+](Cc5cccnc5)CC4)nn3c2)cc1 ZINC000096155753 209125972 /nfs/dbraw/zinc/12/59/72/209125972.db2.gz PZCAGRFEWHMRLD-UHFFFAOYSA-N 1 0 369.472 4.171 40 0 FIABRO Cc1noc(C)c1C[N@@H+]1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 ZINC000096110593 209115176 /nfs/dbraw/zinc/11/51/76/209115176.db2.gz MJUBNLIENVDITI-UNMCSNQZSA-N 1 0 354.494 4.151 40 0 FIABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2 ZINC000035289806 207114612 /nfs/dbraw/zinc/11/46/12/207114612.db2.gz AHJHZVDIVFVXOM-SEJPIABJSA-N 1 0 364.489 4.011 40 0 FIABRO C[C@@H]1[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)C[C@H]2CCCC[N@H+]12 ZINC000005758919 207116525 /nfs/dbraw/zinc/11/65/25/207116525.db2.gz MWRBNPVKOTZDOJ-QIJUGHKUSA-N 1 0 362.517 4.198 40 0 FIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(OCC)cc1)C2 ZINC000035312306 207130241 /nfs/dbraw/zinc/13/02/41/207130241.db2.gz ASKZNOIPHOZQED-AYHJJNSGSA-N 1 0 361.555 4.167 40 0 FIABRO Cc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007448453 207196263 /nfs/dbraw/zinc/19/62/63/207196263.db2.gz BAZRIBASEQDLBN-UHFFFAOYSA-N 1 0 368.546 4.389 40 0 FIABRO O=C(Cc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007849993 207210104 /nfs/dbraw/zinc/21/01/04/207210104.db2.gz BKOZXBZXPXVMLJ-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCc1ccc(Cl)cc1 ZINC000008326356 207229583 /nfs/dbraw/zinc/22/95/83/207229583.db2.gz HJRYDMAFUMZQJL-SFHVURJKSA-N 1 0 363.885 4.178 40 0 FIABRO FC(F)(F)c1cc([C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129284 207341119 /nfs/dbraw/zinc/34/11/19/207341119.db2.gz UFPZVKWQNYFYAZ-DLBZAZTESA-N 1 0 372.394 4.207 40 0 FIABRO COc1ccc2[nH]c(C[NH+]3CCC(O)(c4ccccc4F)CC3)c(C)c2c1 ZINC000012240442 207351014 /nfs/dbraw/zinc/35/10/14/207351014.db2.gz OYCQWRHBNAMVJS-UHFFFAOYSA-N 1 0 368.452 4.108 40 0 FIABRO c1cnc(OC2CCCCC2)c(-c2noc(C[NH+]3CCCCCC3)n2)c1 ZINC000012365416 207366597 /nfs/dbraw/zinc/36/65/97/207366597.db2.gz XOWKSYMCPWGCBQ-UHFFFAOYSA-N 1 0 356.470 4.219 40 0 FIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1OC ZINC000019561433 207681920 /nfs/dbraw/zinc/68/19/20/207681920.db2.gz AINVUQRLJAEZAP-KSCDAYEDSA-N 1 0 352.478 4.161 40 0 FIABRO C[C@H](Sc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030552017 208002128 /nfs/dbraw/zinc/00/21/28/208002128.db2.gz AEGJBBRWQKJHMS-SFHVURJKSA-N 1 0 368.546 4.470 40 0 FIABRO CCOc1cccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000030751971 208004472 /nfs/dbraw/zinc/00/44/72/208004472.db2.gz PAMYCUWQWCJNQX-GOSISDBHSA-N 1 0 366.505 4.247 40 0 FIABRO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030940190 208007495 /nfs/dbraw/zinc/00/74/95/208007495.db2.gz PDHKINVXKXBHCT-GOSISDBHSA-N 1 0 370.468 4.464 40 0 FIABRO CC(=O)Nc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000030943579 208007877 /nfs/dbraw/zinc/00/78/77/208007877.db2.gz DQYYZGHDDJJCKS-MRXNPFEDSA-N 1 0 365.477 4.129 40 0 FIABRO CC(C)Oc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030940363 208008785 /nfs/dbraw/zinc/00/87/85/208008785.db2.gz ZROKDNQMXSSAEB-GOSISDBHSA-N 1 0 370.468 4.464 40 0 FIABRO CC[NH+](CC)CCCN[C@@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000031938997 208019735 /nfs/dbraw/zinc/01/97/35/208019735.db2.gz OFRXUNGYDUXSGN-HNNXBMFYSA-N 1 0 367.748 4.428 40 0 FIABRO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038853456 208207888 /nfs/dbraw/zinc/20/78/88/208207888.db2.gz PDBUOVZHEGJNBN-AWEZNQCLSA-N 1 0 364.823 4.469 40 0 FIABRO CCOc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834297 208205187 /nfs/dbraw/zinc/20/51/87/208205187.db2.gz LTVHZMCCZHWTKY-KRWDZBQOSA-N 1 0 356.441 4.075 40 0 FIABRO CC(C)c1ncc(C[N@H+](CCCn2ccnc2)Cc2ccc(F)cc2)cn1 ZINC000043277682 208305387 /nfs/dbraw/zinc/30/53/87/208305387.db2.gz GXQSXTOSRCIKEN-UHFFFAOYSA-N 1 0 367.472 4.028 40 0 FIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSCc3ccco3)cc2)CC1 ZINC000044786541 208318020 /nfs/dbraw/zinc/31/80/20/208318020.db2.gz SLGMWBPJCLGXCB-UHFFFAOYSA-N 1 0 372.534 4.175 40 0 FIABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000044880016 208319604 /nfs/dbraw/zinc/31/96/04/208319604.db2.gz ZOILVCBJEPMWFW-PZJWPPBQSA-N 1 0 360.542 4.232 40 0 FIABRO C[C@H](Sc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374850 208365007 /nfs/dbraw/zinc/36/50/07/208365007.db2.gz MICIHWMBNJXPCI-KRWDZBQOSA-N 1 0 354.519 4.079 40 0 FIABRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096216938 132222585 /nfs/dbraw/zinc/22/25/85/132222585.db2.gz GALIAHDVFOYOPC-QFIPXVFZSA-N 1 0 350.510 4.093 40 0 FIABRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(OC)cc3)o2)cc1 ZINC000022076837 263384803 /nfs/dbraw/zinc/38/48/03/263384803.db2.gz KHIFSOAJAFSEEU-UHFFFAOYSA-N 1 0 365.429 4.074 40 0 FIABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000022074938 568203621 /nfs/dbraw/zinc/20/36/21/568203621.db2.gz BRYMGMRRRCWECL-UHFFFAOYSA-N 1 0 356.510 4.014 40 0 FIABRO COc1ccc2c(c1)N[C@@]1(CCC[N@H+](Cc3ccccc3)C1)c1cccn1-2 ZINC000057773409 568300123 /nfs/dbraw/zinc/30/01/23/568300123.db2.gz JVHDFVZYOBSZHG-HSZRJFAPSA-N 1 0 359.473 4.403 40 0 FIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc2ccccc2n1 ZINC000022931815 568314505 /nfs/dbraw/zinc/31/45/05/568314505.db2.gz MDFJGFSMTZUUKP-QFIPXVFZSA-N 1 0 360.505 4.116 40 0 FIABRO C[C@H]([NH2+]CCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C ZINC000022950397 568314845 /nfs/dbraw/zinc/31/48/45/568314845.db2.gz OQLPSYJNZRYLOQ-YDOVHBDFSA-N 1 0 370.581 4.404 40 0 FIABRO Cc1ccc(C2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000000538026 570438148 /nfs/dbraw/zinc/43/81/48/570438148.db2.gz AGAHNABIDCTLHW-UHFFFAOYSA-N 1 0 355.453 4.081 40 0 in-man FIABRO CCCC(CCC)[N@@H+]1CCOC[C@@](O)(COc2cc(C)cc(C)c2C)C1 ZINC000585282463 570492999 /nfs/dbraw/zinc/49/29/99/570492999.db2.gz KQMALHDSPQCBQR-JOCHJYFZSA-N 1 0 363.542 4.023 40 0 FIABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2C)[C@@H]1Cc1cccc(C)c1 ZINC000585285611 570494161 /nfs/dbraw/zinc/49/41/61/570494161.db2.gz LIRWTQNEGSLQKX-ZEQRLZLVSA-N 1 0 364.533 4.058 40 0 FIABRO CCOc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000001369236 570497719 /nfs/dbraw/zinc/49/77/19/570497719.db2.gz JCSMQIDIYGKAQF-SEJPIABJSA-N 1 0 364.489 4.011 40 0 FIABRO CCCC[NH+](CCCC)CC(=O)c1ccc(I)cc1 ZINC000001593681 570502702 /nfs/dbraw/zinc/50/27/02/570502702.db2.gz MEYMGSVWDDMIEM-UHFFFAOYSA-N 1 0 373.278 4.376 40 0 FIABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4Cl)C3)n2)cc1 ZINC000072369917 570546649 /nfs/dbraw/zinc/54/66/49/570546649.db2.gz GRTWBYWJLCFBMD-MRXNPFEDSA-N 1 0 369.852 4.388 40 0 FIABRO Cc1ccccc1OCCC[N@@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369842 570546666 /nfs/dbraw/zinc/54/66/66/570546666.db2.gz WPNXCZUFVJOKTE-LJQANCHMSA-N 1 0 363.461 4.303 40 0 FIABRO O=C(c1cccc(Cl)c1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408607260 570578492 /nfs/dbraw/zinc/57/84/92/570578492.db2.gz KIAUHVOCZWDVKS-HXUWFJFHSA-N 1 0 354.881 4.003 40 0 FIABRO CC[NH+](CC)CCOC(=O)[C@H](C1CCCCC1)C1(O)CCCCCC1 ZINC000004691806 570601184 /nfs/dbraw/zinc/60/11/84/570601184.db2.gz CMALZTOOSHBLNK-IBGZPJMESA-N 1 0 353.547 4.153 40 0 FIABRO CCc1n(C)c2ccccc2[n+]1CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000003878730 570663270 /nfs/dbraw/zinc/66/32/70/570663270.db2.gz FXJNAOPQWIPEMZ-QKLQHJQFSA-N 1 0 357.518 4.032 40 0 FIABRO S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000004857251 570671405 /nfs/dbraw/zinc/67/14/05/570671405.db2.gz IYUWCOMEBIJSFY-AYHJJNSGSA-N 1 0 355.507 4.152 40 0 FIABRO CCCOc1ccccc1C[NH+]1CCC(c2[nH]nc3ncccc32)CC1 ZINC000012221199 570728942 /nfs/dbraw/zinc/72/89/42/570728942.db2.gz HLVDGTVOQCRRHJ-UHFFFAOYSA-N 1 0 350.466 4.126 40 0 FIABRO CCn1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012344641 570738220 /nfs/dbraw/zinc/73/82/20/570738220.db2.gz WOOKRCHAWVUMGO-UHFFFAOYSA-N 1 0 364.489 4.153 40 0 FIABRO CCCOc1c(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cccc1OC ZINC000012344804 570738236 /nfs/dbraw/zinc/73/82/36/570738236.db2.gz AXSZZASXKWUGAF-UHFFFAOYSA-N 1 0 369.505 4.276 40 0 FIABRO Clc1ccccc1C[NH+]1CCC(c2noc(-c3ccccn3)n2)CC1 ZINC000012668448 570756436 /nfs/dbraw/zinc/75/64/36/570756436.db2.gz KNVOTXGTACBMDK-UHFFFAOYSA-N 1 0 354.841 4.165 40 0 FIABRO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062565 570797167 /nfs/dbraw/zinc/79/71/67/570797167.db2.gz YDENHYKSRLQUJA-SFHVURJKSA-N 1 0 366.505 4.093 40 0 FIABRO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010433815 570803542 /nfs/dbraw/zinc/80/35/42/570803542.db2.gz LBFNREVJULAVTO-UHFFFAOYSA-N 1 0 366.461 4.020 40 0 FIABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010540256 570803845 /nfs/dbraw/zinc/80/38/45/570803845.db2.gz LKZZXLIKSZEXQU-OAHLLOKOSA-N 1 0 354.947 4.059 40 0 FIABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010540261 570803920 /nfs/dbraw/zinc/80/39/20/570803920.db2.gz LKZZXLIKSZEXQU-HNNXBMFYSA-N 1 0 354.947 4.059 40 0 FIABRO CC1CC[NH+](CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)CC1 ZINC000010540301 570804011 /nfs/dbraw/zinc/80/40/11/570804011.db2.gz OHBQPSAGHVWSEH-HEHNFIMWSA-N 1 0 352.478 4.058 40 0 FIABRO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000016399338 570855685 /nfs/dbraw/zinc/85/56/85/570855685.db2.gz IRGPFYIXXUWNFK-UHFFFAOYSA-N 1 0 355.404 4.188 40 0 FIABRO Fc1ccc(COc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)cc1 ZINC000016399586 570855817 /nfs/dbraw/zinc/85/58/17/570855817.db2.gz JIGXWNBXFDBHPQ-UHFFFAOYSA-N 1 0 365.404 4.423 40 0 FIABRO c1ccc2nc(C[NH+]3CCC(c4nnc(-c5ccncc5)o4)CC3)ccc2c1 ZINC000019376322 570888733 /nfs/dbraw/zinc/88/87/33/570888733.db2.gz IIWIGLNCIBOSCD-UHFFFAOYSA-N 1 0 371.444 4.059 40 0 FIABRO COc1ccc(NC(=O)c2cc(C3CC[NH+](C4CCCC4)CC3)no2)cc1 ZINC000019556678 570892766 /nfs/dbraw/zinc/89/27/66/570892766.db2.gz SFSYTXHTYSEMPR-UHFFFAOYSA-N 1 0 369.465 4.058 40 0 FIABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019577465 570894814 /nfs/dbraw/zinc/89/48/14/570894814.db2.gz ZGEDEYAKWBSJIV-GOSISDBHSA-N 1 0 351.498 4.337 40 0 FIABRO CN(C(=O)[C@H]1CC=CCC1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590843 570895618 /nfs/dbraw/zinc/89/56/18/570895618.db2.gz WEUQVRVNUBVQTQ-QRGRWYIGSA-N 1 0 368.521 4.007 40 0 FIABRO C[C@H](NC(=O)CC1CC[NH+](C2CCCCC2)CC1)c1nc2ccccc2[nH]1 ZINC000019748802 570902200 /nfs/dbraw/zinc/90/22/00/570902200.db2.gz LIHJSICVRKNADX-INIZCTEOSA-N 1 0 368.525 4.175 40 0 FIABRO CC(C)c1nnc(NC(=O)CC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000019748753 570902292 /nfs/dbraw/zinc/90/22/92/570902292.db2.gz WJVAYTZSKFWOKB-UHFFFAOYSA-N 1 0 350.532 4.035 40 0 FIABRO S=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc(Cl)cc1 ZINC000224640854 570995631 /nfs/dbraw/zinc/99/56/31/570995631.db2.gz DXDQLRGADHNYID-UHFFFAOYSA-N 1 0 359.926 4.422 40 0 FIABRO CCCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224676051 570997061 /nfs/dbraw/zinc/99/70/61/570997061.db2.gz DKNGTWAMHRGGTK-UHFFFAOYSA-N 1 0 366.505 4.391 40 0 FIABRO Cc1cccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c1C ZINC000225230628 571023178 /nfs/dbraw/zinc/02/31/78/571023178.db2.gz WHDXYGNBBMCCAA-UHFFFAOYSA-N 1 0 359.564 4.316 40 0 FIABRO CCc1ccccc1NC(=S)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225231415 571023216 /nfs/dbraw/zinc/02/32/16/571023216.db2.gz RQEJVZUMEPAWMX-UHFFFAOYSA-N 1 0 359.564 4.262 40 0 FIABRO Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039772425 571024117 /nfs/dbraw/zinc/02/41/17/571024117.db2.gz ZWLZNLQGKWARFV-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO c1csc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccoc5)C4)nn3c2)c1 ZINC000306137421 571040028 /nfs/dbraw/zinc/04/00/28/571040028.db2.gz QVXAZCFMWMRMMO-QGZVFWFLSA-N 1 0 364.474 4.430 40 0 FIABRO c1ccc(C[NH+]2CCC3(CC2)OCc2nc(Nc4ccccc4)ncc23)cc1 ZINC000306142561 571042638 /nfs/dbraw/zinc/04/26/38/571042638.db2.gz XDIPNBMBORRDHM-UHFFFAOYSA-N 1 0 372.472 4.242 40 0 FIABRO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000225575096 571046698 /nfs/dbraw/zinc/04/66/98/571046698.db2.gz HSTGKOZHBGTYMX-GOSISDBHSA-N 1 0 366.505 4.418 40 0 FIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225611528 571049576 /nfs/dbraw/zinc/04/95/76/571049576.db2.gz CCENMCPYDUNJRR-LAUBAEHRSA-N 1 0 362.514 4.084 40 0 FIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225650459 571052740 /nfs/dbraw/zinc/05/27/40/571052740.db2.gz DOWNRSPLJKBICN-LAUBAEHRSA-N 1 0 362.514 4.084 40 0 FIABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCCCC1 ZINC000225669101 571054302 /nfs/dbraw/zinc/05/43/02/571054302.db2.gz WXPRUPRTMURQGM-JOCHJYFZSA-N 1 0 372.553 4.105 40 0 FIABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225714775 571058395 /nfs/dbraw/zinc/05/83/95/571058395.db2.gz DKEJASXHTQGJHX-PGRDOPGGSA-N 1 0 374.525 4.085 40 0 FIABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225730181 571060042 /nfs/dbraw/zinc/06/00/42/571060042.db2.gz IYXYTYBPTCGSQO-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903708 571078864 /nfs/dbraw/zinc/07/88/64/571078864.db2.gz XHONWOHCSGNDDD-GOSISDBHSA-N 1 0 374.887 4.350 40 0 FIABRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1 ZINC000044842291 571102447 /nfs/dbraw/zinc/10/24/47/571102447.db2.gz VHEQWWOOJWWGHM-UHFFFAOYSA-N 1 0 370.493 4.117 40 0 FIABRO CC[C@@H](C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328988473 571106200 /nfs/dbraw/zinc/10/62/00/571106200.db2.gz IGZJGPQNIFPSPA-HZPDHXFCSA-N 1 0 368.525 4.426 40 0 FIABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260814464 571123666 /nfs/dbraw/zinc/12/36/66/571123666.db2.gz ISAUOBOSQCFHNR-GOSISDBHSA-N 1 0 374.525 4.228 40 0 FIABRO Cc1cc(Nc2ncc(-c3ccccc3)s2)nc(C2CC[NH2+]CC2)n1 ZINC000585263264 571125601 /nfs/dbraw/zinc/12/56/01/571125601.db2.gz TYUDFFXFEZSLNM-UHFFFAOYSA-N 1 0 351.479 4.119 40 0 FIABRO COc1cccc(Cc2cnc([C@@H]3CC[N@H+](Cc4scnc4C)C3)o2)c1 ZINC000257324002 571161891 /nfs/dbraw/zinc/16/18/91/571161891.db2.gz WMTOMTRORHELOB-MRXNPFEDSA-N 1 0 369.490 4.028 40 0 FIABRO Fc1ccccc1Cc1cccc(C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000072350093 571181730 /nfs/dbraw/zinc/18/17/30/571181730.db2.gz QCBIVAOAWZVWKW-UHFFFAOYSA-N 1 0 354.469 4.170 40 0 FIABRO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072350277 571181750 /nfs/dbraw/zinc/18/17/50/571181750.db2.gz DYKMXGWQVCSVKC-SFHVURJKSA-N 1 0 364.468 4.484 40 0 FIABRO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072369958 571185158 /nfs/dbraw/zinc/18/51/58/571185158.db2.gz YEEURVYXFMZFAT-HNNXBMFYSA-N 1 0 374.366 4.140 40 0 FIABRO CC[C@@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(C)o3)[C@H]2C1 ZINC000585109725 571224995 /nfs/dbraw/zinc/22/49/95/571224995.db2.gz LSPBCQSUEQQENG-XPKQXGJGSA-N 1 0 352.478 4.134 40 0 FIABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000585182534 571238332 /nfs/dbraw/zinc/23/83/32/571238332.db2.gz GCBJPMYMECXTLG-QGZVFWFLSA-N 1 0 372.476 4.036 40 0 FIABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000585182545 571238396 /nfs/dbraw/zinc/23/83/96/571238396.db2.gz INLWCACNIRGWOT-SFHVURJKSA-N 1 0 372.476 4.036 40 0 FIABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000585182544 571238422 /nfs/dbraw/zinc/23/84/22/571238422.db2.gz INLWCACNIRGWOT-GOSISDBHSA-N 1 0 372.476 4.036 40 0 FIABRO NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CC[NH+](CC2CC2)CC1 ZINC000019700094 571304510 /nfs/dbraw/zinc/30/45/10/571304510.db2.gz WGTKXNROVMDXRY-UHFFFAOYSA-N 1 0 366.480 4.013 40 0 FIABRO CCCC(=O)N1CCC2(CC1)C[C@@H]([N@H+](C)CC)C[C@@H](c1ccccc1)O2 ZINC000019712727 571304624 /nfs/dbraw/zinc/30/46/24/571304624.db2.gz CNCWILHEJDXOLZ-PMACEKPBSA-N 1 0 358.526 4.020 40 0 FIABRO CC(=O)Nc1cccc(OCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527863443 1109842946 /nfs/dbraw/zinc/84/29/46/1109842946.db2.gz KPGCNBAGYUKLFP-IBGZPJMESA-N 1 0 362.832 4.093 40 0 FIABRO Cc1ccc2c(c1)OC1(CC[NH+](Cc3ccncc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257242571 209975416 /nfs/dbraw/zinc/97/54/16/209975416.db2.gz IDDPXYHVXVCZCN-RBBKRZOGSA-N 1 0 364.489 4.285 40 0 FIABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225730812 209830526 /nfs/dbraw/zinc/83/05/26/209830526.db2.gz NHNZBRNNZCAJTN-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008534849 209512548 /nfs/dbraw/zinc/51/25/48/209512548.db2.gz KCNQAGHWWSNYLQ-XSXQVXRUSA-N 1 0 359.510 4.407 40 0 FIABRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000000778781 209375670 /nfs/dbraw/zinc/37/56/70/209375670.db2.gz SAPLWSNUXPSAOS-GOSISDBHSA-N 1 0 350.506 4.310 40 0 FIABRO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000049169746 209334897 /nfs/dbraw/zinc/33/48/97/209334897.db2.gz SBUJKRFLVTYJKO-HNNXBMFYSA-N 1 0 350.466 4.264 40 0 biogenic,in-vitro FIABRO Cc1ccc(C[N@@H+]2CCC[C@]23CCCN(C(=O)Nc2ccccc2)C3)o1 ZINC000096214629 209135550 /nfs/dbraw/zinc/13/55/50/209135550.db2.gz SYHLQYOCMFEGEF-NRFANRHFSA-N 1 0 353.466 4.251 40 0 FIABRO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000096145670 209122362 /nfs/dbraw/zinc/12/23/62/209122362.db2.gz HPZMCJYEFCQMPE-WBVHZDCISA-N 1 0 353.466 4.059 40 0 FIABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)no2)CC1 ZINC000019496730 220260473 /nfs/dbraw/zinc/26/04/73/220260473.db2.gz ZCEOIXMIMJEFNX-LJQANCHMSA-N 1 0 373.541 4.306 40 0 FIABRO NC(=[NH2+])c1ccc(-c2cc(Br)c(Br)s2)cc1 ZINC000026898012 206810015 /nfs/dbraw/zinc/81/00/15/206810015.db2.gz UACVLKCYOSYFHD-UHFFFAOYSA-N 1 0 360.074 4.224 40 0 FIABRO CN(C(=O)OCc1ccccc1)[C@@H](CC[NH+]1CCCC1)c1ccccc1 ZINC000004290019 207010566 /nfs/dbraw/zinc/01/05/66/207010566.db2.gz XGVKYTVYIWTCCD-NRFANRHFSA-N 1 0 352.478 4.482 40 0 FIABRO COc1ccc([C@@](O)(CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934846 207064520 /nfs/dbraw/zinc/06/45/20/207064520.db2.gz UUCSWCWLOMQFPY-MZLICYQSSA-N 1 0 365.517 4.443 40 0 FIABRO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005875300 207121004 /nfs/dbraw/zinc/12/10/04/207121004.db2.gz DSOCMSSZHZEROG-PHRRHICISA-N 1 0 357.538 4.282 40 0 FIABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OC ZINC000007538075 207197542 /nfs/dbraw/zinc/19/75/42/207197542.db2.gz XCGVFKDNCHXXBQ-UHFFFAOYSA-N 1 0 364.283 4.455 40 0 FIABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008326372 207230129 /nfs/dbraw/zinc/23/01/29/207230129.db2.gz OBULWXKZHUQARQ-INIZCTEOSA-N 1 0 354.277 4.433 40 0 FIABRO CCOc1c(Br)cc(C[NH2+]Cc2ccccc2)cc1OC ZINC000008253358 207226410 /nfs/dbraw/zinc/22/64/10/207226410.db2.gz XRSAPGOZVIBGEO-UHFFFAOYSA-N 1 0 350.256 4.146 40 0 FIABRO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008497963 207235690 /nfs/dbraw/zinc/23/56/90/207235690.db2.gz FEPWRAFNAHUJLC-LBPRGKRZSA-N 1 0 370.276 4.051 40 0 FIABRO COc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000011557627 207315322 /nfs/dbraw/zinc/31/53/22/207315322.db2.gz XKDZCEKGAWULES-UHFFFAOYSA-N 1 0 353.466 4.003 40 0 FIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1OC ZINC000012088981 207337130 /nfs/dbraw/zinc/33/71/30/207337130.db2.gz FYHHTUHNZUTAER-KSCDAYEDSA-N 1 0 352.478 4.161 40 0 FIABRO Cc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)n1C ZINC000012116735 207339921 /nfs/dbraw/zinc/33/99/21/207339921.db2.gz APUQQUBUCAQZHX-UHFFFAOYSA-N 1 0 372.532 4.179 40 0 FIABRO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cnn(C)c3)on2)cc1 ZINC000012228042 207349914 /nfs/dbraw/zinc/34/99/14/207349914.db2.gz VTZHLPNVSLZTKL-HXUWFJFHSA-N 1 0 366.465 4.201 40 0 FIABRO Cc1noc(C)c1C(=O)Nc1ccc(CC[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000012336897 207363800 /nfs/dbraw/zinc/36/38/00/207363800.db2.gz WUCVKGXWHXZAPW-KSSFIOAISA-N 1 0 355.482 4.064 40 0 FIABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cccc(Br)c1 ZINC000012474152 207383031 /nfs/dbraw/zinc/38/30/31/207383031.db2.gz PDIXGTGFDXWHMR-IHRRRGAJSA-N 1 0 354.288 4.257 40 0 FIABRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCc2ccccc21 ZINC000030946875 208007841 /nfs/dbraw/zinc/00/78/41/208007841.db2.gz KDQXRBIBHZYIGR-SFHVURJKSA-N 1 0 354.881 4.141 40 0 FIABRO O=C(OCCCCCC[NH+]1CCOCC1)C1(c2ccccc2)CCCCC1 ZINC000031623631 208013579 /nfs/dbraw/zinc/01/35/79/208013579.db2.gz UNRIQAWPIQWRBT-UHFFFAOYSA-N 1 0 373.537 4.324 40 0 FIABRO O=C(COc1cccc2ccccc21)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462601 208027091 /nfs/dbraw/zinc/02/70/91/208027091.db2.gz ACNTXLPVGNLLCS-UHFFFAOYSA-N 1 0 374.484 4.131 40 0 FIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc3ncccc23)o1 ZINC000036740255 208172394 /nfs/dbraw/zinc/17/23/94/208172394.db2.gz XJFKVCXMFNZYII-UHFFFAOYSA-N 1 0 360.461 4.425 40 0 FIABRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000038848896 208208214 /nfs/dbraw/zinc/20/82/14/208208214.db2.gz PVGMRZCCQVJXAY-UHFFFAOYSA-N 1 0 352.478 4.001 40 0 FIABRO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038834352 208204971 /nfs/dbraw/zinc/20/49/71/208204971.db2.gz MIKSYOYJGICRDN-QGZVFWFLSA-N 1 0 356.441 4.075 40 0 FIABRO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044912260 208323291 /nfs/dbraw/zinc/32/32/91/208323291.db2.gz IBSFESXMKANTFX-IBGZPJMESA-N 1 0 356.897 4.177 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N(C)C)c4ccccc43)CC2)o1 ZINC000096052704 209102523 /nfs/dbraw/zinc/10/25/23/209102523.db2.gz YQJLTXKAGTTXFV-GOSISDBHSA-N 1 0 366.505 4.087 40 0 FIABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096052697 209102184 /nfs/dbraw/zinc/10/21/84/209102184.db2.gz BLALQFAOCQNNKP-QGZVFWFLSA-N 1 0 368.546 4.248 40 0 FIABRO c1coc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)c1 ZINC000096038314 209097657 /nfs/dbraw/zinc/09/76/57/209097657.db2.gz BVZOEEHRTZAKBP-UHFFFAOYSA-N 1 0 373.460 4.446 40 0 FIABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1)[C@@H](O)c1ccccc1 ZINC000022108688 263384735 /nfs/dbraw/zinc/38/47/35/263384735.db2.gz VYSXKPWWGYKNEV-ZMPRRUGASA-N 1 0 351.446 4.212 40 0 FIABRO CCOc1cccc(CNCC[NH+](CC)CC)c1OCc1ccccc1 ZINC000022076901 263385480 /nfs/dbraw/zinc/38/54/80/263385480.db2.gz GEWCRQSFOBSRJH-UHFFFAOYSA-N 1 0 356.510 4.096 40 0 FIABRO [NH2+]=C1N[C@H]([C@H](O)c2ccccc2)[C@H](c2ccc(Cc3ccccc3)cc2)S1 ZINC000059500962 263421521 /nfs/dbraw/zinc/42/15/21/263421521.db2.gz YERVHPOPRCNVGW-VSKRKVRLSA-N 1 0 374.509 4.482 40 0 FIABRO CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000019934073 521924939 /nfs/dbraw/zinc/92/49/39/521924939.db2.gz FOQQIYATQFNODC-QGZVFWFLSA-N 1 0 354.494 4.497 40 0 FIABRO CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020046550 522886480 /nfs/dbraw/zinc/88/64/80/522886480.db2.gz DGMCEVPZRMHHQX-NRFANRHFSA-N 1 0 370.493 4.333 40 0 FIABRO CC[NH+](CC)CCCNCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000026439620 568648124 /nfs/dbraw/zinc/64/81/24/568648124.db2.gz CZTPTNSQKHOJMK-UHFFFAOYSA-N 1 0 369.534 4.137 40 0 FIABRO CCCC(CCC)[N@@H+]1CCOC[C@](O)(COc2cc(C)cc(C)c2C)C1 ZINC000585282464 570493231 /nfs/dbraw/zinc/49/32/31/570493231.db2.gz KQMALHDSPQCBQR-QFIPXVFZSA-N 1 0 363.542 4.023 40 0 FIABRO OCc1ccc(-c2cncc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cc1 ZINC000072359362 570546281 /nfs/dbraw/zinc/54/62/81/570546281.db2.gz MNTVWYGJVLCLNI-JOCHJYFZSA-N 1 0 373.500 4.058 40 0 FIABRO O=C(c1ccc(Cl)cc1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408607319 570578435 /nfs/dbraw/zinc/57/84/35/570578435.db2.gz KUQVQQWXJFKEDN-HXUWFJFHSA-N 1 0 354.881 4.003 40 0 FIABRO O=C(c1cccc(Cl)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408603057 570579934 /nfs/dbraw/zinc/57/99/34/570579934.db2.gz ALPOQWRMWANZGG-UHFFFAOYSA-N 1 0 354.881 4.003 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000260492673 570630498 /nfs/dbraw/zinc/63/04/98/570630498.db2.gz IAUGYJAESYPHNB-OALUTQOASA-N 1 0 360.542 4.348 40 0 FIABRO CC[NH+](CC)CCCN(C(=O)C1CC1)c1nc(-c2ccccc2)cs1 ZINC000004188910 570665876 /nfs/dbraw/zinc/66/58/76/570665876.db2.gz KWLPVODHBSDZQU-UHFFFAOYSA-N 1 0 357.523 4.285 40 0 FIABRO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccco2)cc1 ZINC000004888043 570672598 /nfs/dbraw/zinc/67/25/98/570672598.db2.gz ZNIGMOYLOKPQJM-AYHJJNSGSA-N 1 0 373.497 4.291 40 0 FIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)c1ccccc1F ZINC000004888076 570672801 /nfs/dbraw/zinc/67/28/01/570672801.db2.gz YPDHCYGCTJHXTM-MQVJKMGUSA-N 1 0 358.482 4.203 40 0 FIABRO Cc1nc2cc(-c3cccc(F)c3)nn2c(NCC(C)(C)C[NH+](C)C)c1C ZINC000004980199 570676310 /nfs/dbraw/zinc/67/63/10/570676310.db2.gz KBCRRWOQPQPYCP-UHFFFAOYSA-N 1 0 369.488 4.152 40 0 FIABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(Br)s2)on1 ZINC000012366530 570739127 /nfs/dbraw/zinc/73/91/27/570739127.db2.gz PMFRZWQIFRXBII-SMDDNHRTSA-N 1 0 355.301 4.308 40 0 FIABRO Clc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012668437 570756226 /nfs/dbraw/zinc/75/62/26/570756226.db2.gz MQFVNJQYLOCDFI-UHFFFAOYSA-N 1 0 354.841 4.165 40 0 FIABRO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062566 570797100 /nfs/dbraw/zinc/79/71/00/570797100.db2.gz YDENHYKSRLQUJA-GOSISDBHSA-N 1 0 366.505 4.093 40 0 FIABRO CCOc1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000009062589 570797254 /nfs/dbraw/zinc/79/72/54/570797254.db2.gz SHVGYGQMHCAGKO-UHFFFAOYSA-N 1 0 352.478 4.244 40 0 FIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000012480971 570813530 /nfs/dbraw/zinc/81/35/30/570813530.db2.gz JRPIYSNNDFPNJZ-UXVFMDBASA-N 1 0 359.558 4.050 40 0 FIABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373070 570842205 /nfs/dbraw/zinc/84/22/05/570842205.db2.gz IDMDYWOMAWKGAQ-VIZSFHNOSA-N 1 0 367.533 4.459 40 0 FIABRO CCC[N@@H+]1CCC[C@](O)(c2nc(C)c(COc3ccccc3)s2)CC1 ZINC000019705249 570858046 /nfs/dbraw/zinc/85/80/46/570858046.db2.gz IUJBFXBXCAPILP-HXUWFJFHSA-N 1 0 360.523 4.114 40 0 FIABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019019500 570879370 /nfs/dbraw/zinc/87/93/70/570879370.db2.gz CKKPZRFNKUPLPH-UFYCRDLUSA-N 1 0 374.937 4.238 40 0 FIABRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cc(C)ccc2C)cc1OC ZINC000019132050 570880776 /nfs/dbraw/zinc/88/07/76/570880776.db2.gz QFYQFRXUOSIZJU-WOJBJXKFSA-N 1 0 355.478 4.191 40 0 FIABRO CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019235210 570882990 /nfs/dbraw/zinc/88/29/90/570882990.db2.gz CIBXAJZYILGYKJ-VABKMULXSA-N 1 0 354.538 4.212 40 0 FIABRO C[C@H]1CN(CCCOC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C(C)(C)C ZINC000019365092 570887403 /nfs/dbraw/zinc/88/74/03/570887403.db2.gz ADBGGFMEKSYLLE-HNNXBMFYSA-N 1 0 367.921 4.083 40 0 FIABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC000019368994 570887989 /nfs/dbraw/zinc/88/79/89/570887989.db2.gz KLVFPUGROYMSAK-ACRUOGEOSA-N 1 0 366.530 4.088 40 0 FIABRO CCOc1ccc(C[NH+]2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cc1 ZINC000019533208 570892183 /nfs/dbraw/zinc/89/21/83/570892183.db2.gz GWIAMCJGLDUMGA-UHFFFAOYSA-N 1 0 350.466 4.045 40 0 FIABRO COc1ccc([C@@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]2c2cc[nH]n2)cc1 ZINC000019557229 570892786 /nfs/dbraw/zinc/89/27/86/570892786.db2.gz PIBRAUCGCLZXLE-ZWKOTPCHSA-N 1 0 369.415 4.080 40 0 FIABRO Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000019563208 570893673 /nfs/dbraw/zinc/89/36/73/570893673.db2.gz DLABRZXMMLDSMA-UHFFFAOYSA-N 1 0 358.442 4.020 40 0 FIABRO Cc1nc2cc(C)ccn2c1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000019658992 570896804 /nfs/dbraw/zinc/89/68/04/570896804.db2.gz ZMLKTTIODNEFNZ-UHFFFAOYSA-N 1 0 353.441 4.134 40 0 FIABRO Cc1nc2c(C)cccn2c1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000019658984 570896851 /nfs/dbraw/zinc/89/68/51/570896851.db2.gz DKXIERMRGJQERE-UHFFFAOYSA-N 1 0 353.441 4.134 40 0 FIABRO O=C(Nc1ccccc1OCc1ccccn1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000019660110 570897243 /nfs/dbraw/zinc/89/72/43/570897243.db2.gz YADYIDRUQOHUHM-FQEVSTJZSA-N 1 0 365.477 4.006 40 0 FIABRO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)Cc2ccc3[nH]cnc3c2)c1 ZINC000019662481 570897848 /nfs/dbraw/zinc/89/78/48/570897848.db2.gz RNJRIKYFABYWOX-INIZCTEOSA-N 1 0 362.477 4.119 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2ccccc2cc1OC ZINC000020491873 570917953 /nfs/dbraw/zinc/91/79/53/570917953.db2.gz ANTQYNZBJCLIAU-LJQANCHMSA-N 1 0 354.494 4.233 40 0 FIABRO CN(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022075815 570939359 /nfs/dbraw/zinc/93/93/59/570939359.db2.gz BPHVDJCLEMJISP-UHFFFAOYSA-N 1 0 353.293 4.224 40 0 FIABRO CCOc1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000022510944 570944623 /nfs/dbraw/zinc/94/46/23/570944623.db2.gz YGKFXHUFWGGCDG-SFHVURJKSA-N 1 0 366.505 4.247 40 0 FIABRO C[NH+](C)CCN(Cc1ccc(-c2ccc(F)cc2)o1)Cc1ccncc1 ZINC000022913816 570952589 /nfs/dbraw/zinc/95/25/89/570952589.db2.gz FRUYPFVBWNYKKV-UHFFFAOYSA-N 1 0 353.441 4.045 40 0 FIABRO C[C@H](SCc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224591477 570993937 /nfs/dbraw/zinc/99/39/37/570993937.db2.gz LNITZTMCMOHPGQ-SFHVURJKSA-N 1 0 368.546 4.221 40 0 FIABRO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224627040 570995720 /nfs/dbraw/zinc/99/57/20/570995720.db2.gz OZSIVANFVSHSKZ-JOCHJYFZSA-N 1 0 366.505 4.065 40 0 FIABRO O=C(CCSCc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224782479 571000419 /nfs/dbraw/zinc/00/04/19/571000419.db2.gz BHHNSBYMSQYLCN-UHFFFAOYSA-N 1 0 368.546 4.222 40 0 FIABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCCCCC1 ZINC000225329895 571028596 /nfs/dbraw/zinc/02/85/96/571028596.db2.gz BSVHTMQZQCSPBU-UHFFFAOYSA-N 1 0 357.325 4.308 40 0 FIABRO CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225363976 571030752 /nfs/dbraw/zinc/03/07/52/571030752.db2.gz JFKFLHHFEJAJQQ-FQEVSTJZSA-N 1 0 368.496 4.175 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000225453916 571036587 /nfs/dbraw/zinc/03/65/87/571036587.db2.gz OFLDMKVEOKGHNJ-NQIIRXRSSA-N 1 0 372.553 4.104 40 0 FIABRO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccsc4)C2)OC3)cc1 ZINC000306139677 571041571 /nfs/dbraw/zinc/04/15/71/571041571.db2.gz TXKJXCNCDKFHCH-OAQYLSRUSA-N 1 0 365.502 4.095 40 0 FIABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225698863 571056892 /nfs/dbraw/zinc/05/68/92/571056892.db2.gz CKUAEIIIYKORFN-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225730751 571059916 /nfs/dbraw/zinc/05/99/16/571059916.db2.gz HDWYSZWIFFICRU-NRFANRHFSA-N 1 0 364.530 4.331 40 0 FIABRO CC(C)Oc1cccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225730690 571059924 /nfs/dbraw/zinc/05/99/24/571059924.db2.gz UVDHBOBDMUIHGV-IAGOWNOFSA-N 1 0 363.571 4.128 40 0 FIABRO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044852957 571103188 /nfs/dbraw/zinc/10/31/88/571103188.db2.gz TXLCCXYKXUHRTN-LJQANCHMSA-N 1 0 366.505 4.178 40 0 FIABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2ccccc2C(F)(F)F)CC1 ZINC000098213850 571122123 /nfs/dbraw/zinc/12/21/23/571122123.db2.gz UIVKHENHHALGEC-UHFFFAOYSA-N 1 0 372.431 4.224 40 0 FIABRO COc1nc2cc(C)ccc2cc1C[N@@H+](Cc1sccc1C)C[C@H](C)O ZINC000057810261 571123077 /nfs/dbraw/zinc/12/30/77/571123077.db2.gz PIOMBKORSABMEY-INIZCTEOSA-N 1 0 370.518 4.305 40 0 FIABRO CC(C)(C)CC[N@H+]1C[C@@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000252585174 571134681 /nfs/dbraw/zinc/13/46/81/571134681.db2.gz GSJIGYLGKSBYBC-BJWYYQGGSA-N 1 0 369.336 4.337 40 0 in-vitro FIABRO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)o1 ZINC000257207107 571149719 /nfs/dbraw/zinc/14/97/19/571149719.db2.gz BGJLUTUGNZSTSR-QGZVFWFLSA-N 1 0 351.425 4.179 40 0 FIABRO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCCN2Cc2cncs2)n1 ZINC000257238717 571153058 /nfs/dbraw/zinc/15/30/58/571153058.db2.gz HMFYEHDOJLQJPF-KRWDZBQOSA-N 1 0 366.494 4.107 40 0 FIABRO c1ccc(CC[N@@H+]2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257267868 571156288 /nfs/dbraw/zinc/15/62/88/571156288.db2.gz MJDFDNJGCMTHNT-LJQANCHMSA-N 1 0 359.477 4.037 40 0 FIABRO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1cccc3ccccc31)CC2 ZINC000257314982 571161145 /nfs/dbraw/zinc/16/11/45/571161145.db2.gz UZKDCIFYBHBXGG-UHFFFAOYSA-N 1 0 352.478 4.059 40 0 FIABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072345885 571179721 /nfs/dbraw/zinc/17/97/21/571179721.db2.gz UNIUSKAODJUITJ-INIZCTEOSA-N 1 0 354.473 4.377 40 0 FIABRO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000072348543 571179949 /nfs/dbraw/zinc/17/99/49/571179949.db2.gz OYXNXWLHJOSDOS-NRFANRHFSA-N 1 0 371.484 4.227 40 0 FIABRO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350079 571181482 /nfs/dbraw/zinc/18/14/82/571181482.db2.gz SJHMZHKCXYMPGT-SFHVURJKSA-N 1 0 352.478 4.116 40 0 FIABRO c1ccc(-c2noc([C@H]3CC[N@@H+](Cc4ccnc5ccccc45)C3)n2)cc1 ZINC000072369834 571185140 /nfs/dbraw/zinc/18/51/40/571185140.db2.gz FONCFMVCKPGQPT-SFHVURJKSA-N 1 0 356.429 4.274 40 0 FIABRO c1cnc(Nc2cccc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)n2)nc1 ZINC000072376013 571185747 /nfs/dbraw/zinc/18/57/47/571185747.db2.gz LTTOKXJSKYAUDR-GOSISDBHSA-N 1 0 351.498 4.375 40 0 FIABRO c1ccc(CC[N@@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377560 571186686 /nfs/dbraw/zinc/18/66/86/571186686.db2.gz JBASBVOVBWOYIY-LJQANCHMSA-N 1 0 359.477 4.037 40 0 FIABRO c1ccc(CCC[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377922 571186886 /nfs/dbraw/zinc/18/68/86/571186886.db2.gz YVTAZAVZNWJBQM-HXUWFJFHSA-N 1 0 374.492 4.170 40 0 FIABRO C[NH+]1CCC2(CC1)CN(Cc1ccc(Cl)cc1)Cc1ccccc1O2 ZINC000072394171 571190270 /nfs/dbraw/zinc/19/02/70/571190270.db2.gz AYDNCGDLLFDVBH-UHFFFAOYSA-N 1 0 356.897 4.199 40 0 FIABRO C[NH+]1CCC2(CC1)CN(Cc1cccc(Cl)c1)Cc1ccccc1O2 ZINC000072394173 571190384 /nfs/dbraw/zinc/19/03/84/571190384.db2.gz HQCSVKOPAULEKW-UHFFFAOYSA-N 1 0 356.897 4.199 40 0 FIABRO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306123335 571212802 /nfs/dbraw/zinc/21/28/02/571212802.db2.gz AKLYWWGRPBWFGZ-NRFANRHFSA-N 1 0 365.502 4.095 40 0 FIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)c1 ZINC000306125525 571213244 /nfs/dbraw/zinc/21/32/44/571213244.db2.gz CTFTUZIRNSJHEF-GOSISDBHSA-N 1 0 362.477 4.137 40 0 FIABRO c1cc(COCC[C@@H]2CCOC23CC[NH+](CC2CCCC2)CC3)ccn1 ZINC000585105515 571223711 /nfs/dbraw/zinc/22/37/11/571223711.db2.gz YSSVDNACMYAPII-OAQYLSRUSA-N 1 0 358.526 4.050 40 0 FIABRO Cc1nc([C@]2(C)CCCN(C(=O)c3ccccc3F)C2)c2sccn12 ZINC000585182472 571238080 /nfs/dbraw/zinc/23/80/80/571238080.db2.gz GHKJLWDAQSQZQO-LJQANCHMSA-N 1 0 357.454 4.037 40 0 FIABRO [NH3+]Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1 ZINC000228926714 571278237 /nfs/dbraw/zinc/27/82/37/571278237.db2.gz CZZWNLSTVTXFRE-UHFFFAOYSA-N 1 0 362.273 4.435 40 0 FIABRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)[C@H]1C ZINC000245227114 571290075 /nfs/dbraw/zinc/29/00/75/571290075.db2.gz AOWYYPBYAPIMFX-LLGFUMIMSA-N 1 0 372.553 4.166 40 0 FIABRO CCN(C(=O)C1CCCCC1)[C@H]1CCO[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019711790 571304648 /nfs/dbraw/zinc/30/46/48/571304648.db2.gz KXILHVIIEOXEBH-FCHUYYIVSA-N 1 0 372.553 4.397 40 0 FIABRO COc1cccc2cc(C[N@@H+]3CC[C@@]4(C)[C@@H]3CCCCCN4C(C)=O)oc21 ZINC000019713373 571304881 /nfs/dbraw/zinc/30/48/81/571304881.db2.gz LWRMMDTUAWNVAB-UNMCSNQZSA-N 1 0 370.493 4.197 40 0 FIABRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2ccc(-c3ccc(N)nc3)cn2)C1 ZINC000019688751 571327157 /nfs/dbraw/zinc/32/71/57/571327157.db2.gz BSALDQHLMFBGTJ-OAQYLSRUSA-N 1 0 358.489 4.414 40 0 FIABRO C=CC(=O)N(c1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000585673012 1105204534 /nfs/dbraw/zinc/20/45/34/1105204534.db2.gz ZTLLQVADDIYHJU-UHFFFAOYSA-N 1 0 352.453 4.052 40 0 in-vitro FIABRO C[C@@H](NC(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000257265179 209981717 /nfs/dbraw/zinc/98/17/17/209981717.db2.gz LXQDWTVGPAWYGR-QGZVFWFLSA-N 1 0 359.473 4.301 40 0 FIABRO Cc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2SCCC3)cc1 ZINC000027788716 209867945 /nfs/dbraw/zinc/86/79/45/209867945.db2.gz YAHNMFWNPKZJPE-UHFFFAOYSA-N 1 0 365.478 4.007 40 0 FIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225650868 209825591 /nfs/dbraw/zinc/82/55/91/209825591.db2.gz MYPPCHWRKZQSFI-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO CC[C@@H](Oc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224696894 209789867 /nfs/dbraw/zinc/78/98/67/209789867.db2.gz FOPFIHCQZKOVIU-JOCHJYFZSA-N 1 0 366.505 4.146 40 0 FIABRO CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224535048 209788488 /nfs/dbraw/zinc/78/84/88/209788488.db2.gz KGMATIBSKLJLHL-QFIPXVFZSA-N 1 0 366.505 4.146 40 0 FIABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC)c(C)c1 ZINC000224334833 209782525 /nfs/dbraw/zinc/78/25/25/209782525.db2.gz XZZYLFWPYNUWPN-OAQYLSRUSA-N 1 0 366.505 4.481 40 0 FIABRO COCCC[NH2+]CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1 ZINC000027579179 209778583 /nfs/dbraw/zinc/77/85/83/209778583.db2.gz UYNFELVRVODKBT-HXUWFJFHSA-N 1 0 353.934 4.474 40 0 FIABRO O=C(Nc1ccccc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccccc2F)C1 ZINC000096214637 209135680 /nfs/dbraw/zinc/13/56/80/209135680.db2.gz OMPCOLVLHXTPRT-JOCHJYFZSA-N 1 0 367.468 4.488 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)o1 ZINC000096100269 209112254 /nfs/dbraw/zinc/11/22/54/209112254.db2.gz IEMXRDLWGYGIGF-OAQYLSRUSA-N 1 0 364.489 4.164 40 0 FIABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)s1 ZINC000096100306 209111058 /nfs/dbraw/zinc/11/10/58/209111058.db2.gz CDLIVLOXLFNKAL-OAQYLSRUSA-N 1 0 354.519 4.203 40 0 FIABRO Cc1cccc(-c2cc3nc(C)c(C)c(NCC(C)(C)C[NH+](C)C)n3n2)c1 ZINC000004980196 207068558 /nfs/dbraw/zinc/06/85/58/207068558.db2.gz RFDIHFHRGSEQMO-UHFFFAOYSA-N 1 0 365.525 4.321 40 0 FIABRO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000035289086 207113723 /nfs/dbraw/zinc/11/37/23/207113723.db2.gz RXPRGCSZFPTFAX-SEJPIABJSA-N 1 0 365.546 4.477 40 0 FIABRO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005875949 207120180 /nfs/dbraw/zinc/12/01/80/207120180.db2.gz DSOCMSSZHZEROG-GAHAVRLESA-N 1 0 357.538 4.282 40 0 FIABRO O=C(/C=C/c1ccccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011718 207215602 /nfs/dbraw/zinc/21/56/02/207215602.db2.gz GAVNIFHHDVMXFU-VAWYXSNFSA-N 1 0 354.881 4.265 40 0 FIABRO COc1ccccc1/C=C/C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850027 207210633 /nfs/dbraw/zinc/21/06/33/207210633.db2.gz REFUXEGOGCTWCH-BUHFOSPRSA-N 1 0 364.489 4.011 40 0 FIABRO CCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008253172 207225883 /nfs/dbraw/zinc/22/58/83/207225883.db2.gz YBTIJIUVRAILJI-UHFFFAOYSA-N 1 0 363.885 4.444 40 0 FIABRO COc1cc2ccccc2cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008406450 207232352 /nfs/dbraw/zinc/23/23/52/207232352.db2.gz LWLGTBIYRYLJPC-UHFFFAOYSA-N 1 0 374.484 4.374 40 0 FIABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OC ZINC000008535300 207237020 /nfs/dbraw/zinc/23/70/20/207237020.db2.gz BYWQEZSARHEXQS-GFCCVEGCSA-N 1 0 350.256 4.317 40 0 FIABRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000010691118 207305213 /nfs/dbraw/zinc/30/52/13/207305213.db2.gz XDIUZGGSGYWMGS-UHFFFAOYSA-N 1 0 362.517 4.377 40 0 FIABRO Cc1c(CN(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)cnn1C ZINC000012186563 207344847 /nfs/dbraw/zinc/34/48/47/207344847.db2.gz RWTBPYOHZVVBRI-UHFFFAOYSA-N 1 0 372.532 4.179 40 0 FIABRO FC(F)c1cc([C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129146 207341022 /nfs/dbraw/zinc/34/10/22/207341022.db2.gz YRJMYAINSIKJCE-DLBZAZTESA-N 1 0 354.404 4.126 40 0 FIABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1sccc1C ZINC000012147000 207343596 /nfs/dbraw/zinc/34/35/96/207343596.db2.gz AQZCJTUEGQMIPZ-UHFFFAOYSA-N 1 0 355.507 4.354 40 0 FIABRO c1coc(-c2cnc(NCCC[NH+]3CCCCC3)nc2-c2ccco2)c1 ZINC000012253479 207351516 /nfs/dbraw/zinc/35/15/16/207351516.db2.gz JMGKURGRKFEMKE-UHFFFAOYSA-N 1 0 352.438 4.285 40 0 FIABRO CCOCc1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)ccc1OC ZINC000012292827 207353468 /nfs/dbraw/zinc/35/34/68/207353468.db2.gz IRZRZLIXVBHBND-UHFFFAOYSA-N 1 0 369.505 4.024 40 0 FIABRO CCOCc1cc(C[NH+]2CCC(O)(c3cccc(C)c3)CC2)ccc1OC ZINC000012292825 207354041 /nfs/dbraw/zinc/35/40/41/207354041.db2.gz FXBJXSHPNJKGEA-UHFFFAOYSA-N 1 0 369.505 4.024 40 0 FIABRO Cn1cc([C@@H](O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000012330342 207363037 /nfs/dbraw/zinc/36/30/37/207363037.db2.gz JCXCNWJVSOOQRF-QFIPXVFZSA-N 1 0 350.437 4.140 40 0 FIABRO COc1cc2c(cc1C[NH2+]C1(c3ccc(Cl)cc3)CCC1)OCCO2 ZINC000012361812 207364828 /nfs/dbraw/zinc/36/48/28/207364828.db2.gz KFBOGKNRLGZBMJ-UHFFFAOYSA-N 1 0 359.853 4.289 40 0 FIABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2coc3ccc(Cl)cc3c2=O)on1 ZINC000012366524 207365473 /nfs/dbraw/zinc/36/54/73/207365473.db2.gz NDHVMZKYUJLSJY-SCLBCKFNSA-N 1 0 372.852 4.244 40 0 FIABRO C[C@@H]1CCC[N@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)[C@@H]1C ZINC000012365437 207366007 /nfs/dbraw/zinc/36/60/07/207366007.db2.gz SGHMKUYXKPWNIZ-HZPDHXFCSA-N 1 0 370.497 4.464 40 0 FIABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000021961593 207791733 /nfs/dbraw/zinc/79/17/33/207791733.db2.gz HMQAGBMTKJSDLO-IBGZPJMESA-N 1 0 366.505 4.065 40 0 FIABRO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030943779 208007676 /nfs/dbraw/zinc/00/76/76/208007676.db2.gz OZLOTUGVWUREQQ-GHTZIAJQSA-N 1 0 368.496 4.175 40 0 FIABRO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044909266 208322166 /nfs/dbraw/zinc/32/21/66/208322166.db2.gz DGPBYONSBOJPCP-UHFFFAOYSA-N 1 0 370.924 4.301 40 0 FIABRO O=C(CCSc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374607 208364561 /nfs/dbraw/zinc/36/45/61/208364561.db2.gz JPZQKDSTOJYQCC-UHFFFAOYSA-N 1 0 354.519 4.081 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)s1 ZINC000096061436 209104613 /nfs/dbraw/zinc/10/46/13/209104613.db2.gz INCYDGYYPIGMQW-IBGZPJMESA-N 1 0 354.519 4.037 40 0 FIABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2cccs2)CC3)c1 ZINC000096049432 209103264 /nfs/dbraw/zinc/10/32/64/209103264.db2.gz IHXHZXZPLVWEMR-UHFFFAOYSA-N 1 0 354.519 4.214 40 0 FIABRO Cn1cncc1C[NH2+][C@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 ZINC000096241507 132224058 /nfs/dbraw/zinc/22/40/58/132224058.db2.gz GHIXRQLLNGPFOV-QHCPKHFHSA-N 1 0 372.516 4.193 40 0 FIABRO Cn1cncc1C[NH2+][C@@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 ZINC000096241506 132224084 /nfs/dbraw/zinc/22/40/84/132224084.db2.gz GHIXRQLLNGPFOV-HSZRJFAPSA-N 1 0 372.516 4.193 40 0 FIABRO CC(C)OCCC[N@H+](Cc1ccco1)Cc1c[nH]cc2c(Cl)nnc1-2 ZINC000012186855 263369804 /nfs/dbraw/zinc/36/98/04/263369804.db2.gz XCPKAZFLALVOQY-UHFFFAOYSA-N 1 0 362.861 4.022 40 0 FIABRO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000039752715 263399089 /nfs/dbraw/zinc/39/90/89/263399089.db2.gz DAFVBGZIIBPHNC-UHFFFAOYSA-N 1 0 368.496 4.095 40 0 FIABRO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039748895 263399147 /nfs/dbraw/zinc/39/91/47/263399147.db2.gz MDULQCXFBYEFGP-UHFFFAOYSA-N 1 0 360.860 4.008 40 0 FIABRO COc1ccccc1CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020104825 524432962 /nfs/dbraw/zinc/43/29/62/524432962.db2.gz KGVBTOQOODDKCY-SFHVURJKSA-N 1 0 366.505 4.199 40 0 FIABRO COc1cc2c(cc1OC)[C@@H]([C@@]13C[C@H]4C[C@@H](C1)C[C@](Cl)(C4)C3)[NH2+]CC2 ZINC000217361681 568179492 /nfs/dbraw/zinc/17/94/92/568179492.db2.gz HSDXWRHEZLIHTH-NQXSOSHUSA-N 1 0 361.913 4.468 40 0 FIABRO C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CC[N@@H+]1Cc1ccc(F)cc1 ZINC000057776467 568299472 /nfs/dbraw/zinc/29/94/72/568299472.db2.gz WLXOZEARQHOEBW-IERDGZPVSA-N 1 0 370.443 4.048 40 0 FIABRO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000223233269 568628519 /nfs/dbraw/zinc/62/85/19/568628519.db2.gz FIMXIJFJDBFBPX-QGZVFWFLSA-N 1 0 368.496 4.478 40 0 FIABRO Cc1cc(OC[C@]2(O)CCC[N@@H+](C3CCCCC3)C2)cc(C)c1Cl ZINC000585282173 570492566 /nfs/dbraw/zinc/49/25/66/570492566.db2.gz YNOANOUWIURABP-FQEVSTJZSA-N 1 0 351.918 4.495 40 0 FIABRO CC(C)(C)[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CC[NH2+]CC4)c23)C1 ZINC000013998646 570502797 /nfs/dbraw/zinc/50/27/97/570502797.db2.gz BXONUORTYBNVIJ-AWEZNQCLSA-N 1 0 370.566 4.129 40 0 FIABRO CC[N@H+](CCO)[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001665687 570504172 /nfs/dbraw/zinc/50/41/72/570504172.db2.gz FCPMTNGZZNNVQK-QZTJIDSGSA-N 1 0 354.277 4.082 40 0 FIABRO O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044932973 570539011 /nfs/dbraw/zinc/53/90/11/570539011.db2.gz CABHMTIXRDPSCZ-SIKLNZKXSA-N 1 0 366.480 4.232 40 0 FIABRO O=C(C[NH+]1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000004231817 570666198 /nfs/dbraw/zinc/66/61/98/570666198.db2.gz XFRWIKUEXZGKNX-UHFFFAOYSA-N 1 0 372.856 4.018 40 0 FIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)c1cccc(F)c1 ZINC000004888093 570672529 /nfs/dbraw/zinc/67/25/29/570672529.db2.gz SXKFSURZHWVYKU-AYHJJNSGSA-N 1 0 358.482 4.203 40 0 FIABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1 ZINC000004888005 570672657 /nfs/dbraw/zinc/67/26/57/570672657.db2.gz NKEZYVHBLJLVIU-FRIKZZABSA-N 1 0 366.480 4.450 40 0 FIABRO O=C(C1CCCCC1)N1CCCc2cc([C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291532 570732354 /nfs/dbraw/zinc/73/23/54/570732354.db2.gz RKZKJGOZRZTSJS-QFIPXVFZSA-N 1 0 370.537 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4.110 40 0 FIABRO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)c(F)c1 ZINC000019551789 570892544 /nfs/dbraw/zinc/89/25/44/570892544.db2.gz IARBSNCKUVAIDM-RBUKOAKNSA-N 1 0 369.415 4.080 40 0 FIABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@H]1CC12CCC2 ZINC000019589056 570895151 /nfs/dbraw/zinc/89/51/51/570895151.db2.gz LGMOWCJYBLJESE-BQJUDKOJSA-N 1 0 352.522 4.046 40 0 FIABRO Cc1nccn1C[C@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000019659005 570897339 /nfs/dbraw/zinc/89/73/39/570897339.db2.gz IOOQUEHIILYDRO-INIZCTEOSA-N 1 0 354.885 4.305 40 0 FIABRO CN(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022075803 570938940 /nfs/dbraw/zinc/93/89/40/570938940.db2.gz YMVWVOOMGFXQJY-UHFFFAOYSA-N 1 0 353.293 4.224 40 0 FIABRO CN(C)CC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022075918 570939184 /nfs/dbraw/zinc/93/91/84/570939184.db2.gz UEMSAQAIJHDFRI-UHFFFAOYSA-N 1 0 352.453 4.209 40 0 FIABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1(c2ccccc2)CCCC1 ZINC000224289371 570983478 /nfs/dbraw/zinc/98/34/78/570983478.db2.gz QVMDQLXKRJCQLY-UHFFFAOYSA-N 1 0 362.517 4.063 40 0 FIABRO Cc1ccccc1OCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000224333657 570985407 /nfs/dbraw/zinc/98/54/07/570985407.db2.gz HIZYAXYGKADWGF-GOSISDBHSA-N 1 0 366.505 4.036 40 0 FIABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000224518148 570991882 /nfs/dbraw/zinc/99/18/82/570991882.db2.gz SULVREMVKNHPBJ-UHFFFAOYSA-N 1 0 362.517 4.411 40 0 FIABRO CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224534998 570992204 /nfs/dbraw/zinc/99/22/04/570992204.db2.gz KGMATIBSKLJLHL-JOCHJYFZSA-N 1 0 366.505 4.146 40 0 FIABRO O=C(CCc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224640473 570995536 /nfs/dbraw/zinc/99/55/36/570995536.db2.gz NVOPNYRFSBMHKV-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO O=C(Cc1ccc(-c2ccccc2)cc1)NCCC[NH+]1CCCCCC1 ZINC000224977746 571008413 /nfs/dbraw/zinc/00/84/13/571008413.db2.gz YFVSZNLHYDGWJM-UHFFFAOYSA-N 1 0 350.506 4.278 40 0 FIABRO O=C(Nc1c(F)cccc1F)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039772767 571023899 /nfs/dbraw/zinc/02/38/99/571023899.db2.gz IJARFIJNNUGROD-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039772010 571024160 /nfs/dbraw/zinc/02/41/60/571024160.db2.gz VSWUXNFZORVYRY-GOSISDBHSA-N 1 0 368.496 4.175 40 0 FIABRO COc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000028221081 571027876 /nfs/dbraw/zinc/02/78/76/571027876.db2.gz QHRXSLQARVPYFM-MRXNPFEDSA-N 1 0 358.869 4.199 40 0 FIABRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220811 571027993 /nfs/dbraw/zinc/02/79/93/571027993.db2.gz LFGMAQSGUKMIMQ-INIZCTEOSA-N 1 0 358.869 4.199 40 0 FIABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)s1 ZINC000306136306 571039776 /nfs/dbraw/zinc/03/97/76/571039776.db2.gz PPOTZHSXJKDTSL-LJQANCHMSA-N 1 0 371.531 4.156 40 0 FIABRO Fc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)c1 ZINC000306142242 571042149 /nfs/dbraw/zinc/04/21/49/571042149.db2.gz WUGLLGQBWDAHEM-QGZVFWFLSA-N 1 0 350.441 4.267 40 0 FIABRO CC(C)Oc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000225730618 571060048 /nfs/dbraw/zinc/06/00/48/571060048.db2.gz GHQZITJQIQSHEA-IRXDYDNUSA-N 1 0 363.571 4.128 40 0 FIABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225749421 571061775 /nfs/dbraw/zinc/06/17/75/571061775.db2.gz WLPVDILFRQIEJN-NRFANRHFSA-N 1 0 364.530 4.331 40 0 FIABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCC1 ZINC000260817035 571123860 /nfs/dbraw/zinc/12/38/60/571123860.db2.gz UXVYNQSIMRHZOJ-SFHVURJKSA-N 1 0 374.525 4.085 40 0 FIABRO C[C@@H](CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000260848806 571124307 /nfs/dbraw/zinc/12/43/07/571124307.db2.gz QOJUVIMOTMPAFJ-OALUTQOASA-N 1 0 350.506 4.452 40 0 FIABRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257240033 571153437 /nfs/dbraw/zinc/15/34/37/571153437.db2.gz HRTQMIOSEIOQRQ-JWPKLBNJSA-N 1 0 356.510 4.138 40 0 FIABRO CC(C)c1ccc(O)c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000257250370 571154198 /nfs/dbraw/zinc/15/41/98/571154198.db2.gz JMGUCCVHNIZNOK-UHFFFAOYSA-N 1 0 366.505 4.432 40 0 FIABRO COc1ccc(Cc2cnc([C@@H]3CCCN3Cc3cncs3)o2)cc1 ZINC000257258452 571155094 /nfs/dbraw/zinc/15/50/94/571155094.db2.gz KTXPAMPCPPTWSL-SFHVURJKSA-N 1 0 355.463 4.068 40 0 FIABRO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2Cc2nccs2)n1 ZINC000257291547 571158661 /nfs/dbraw/zinc/15/86/61/571158661.db2.gz QHMOSHHPAKJGIK-INIZCTEOSA-N 1 0 369.494 4.241 40 0 FIABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3ncccc3F)C2)nc1 ZINC000257310744 571160755 /nfs/dbraw/zinc/16/07/55/571160755.db2.gz UGIUOGBFSVHGEX-KRWDZBQOSA-N 1 0 366.440 4.267 40 0 FIABRO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348954 571180620 /nfs/dbraw/zinc/18/06/20/571180620.db2.gz MHZQGIQQICLSKY-FQEVSTJZSA-N 1 0 373.500 4.456 40 0 FIABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072354573 571182432 /nfs/dbraw/zinc/18/24/32/571182432.db2.gz LCYJFHDKYKQFNC-IBGZPJMESA-N 1 0 366.415 4.341 40 0 FIABRO Cc1cccc(OCCC[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369850 571185098 /nfs/dbraw/zinc/18/50/98/571185098.db2.gz MTUBUNAUKMRPKD-LJQANCHMSA-N 1 0 363.461 4.303 40 0 FIABRO COc1cc(C)c(C[NH+]2CCC([C@H]3CCCCN(C)C3=O)CC2)c(C)c1C ZINC000072372024 571185458 /nfs/dbraw/zinc/18/54/58/571185458.db2.gz NIXFRSWNPYOUKK-HXUWFJFHSA-N 1 0 372.553 4.091 40 0 FIABRO COc1cc(C)c(C[NH+]2CCC([C@@H]3CCCCN(C)C3=O)CC2)c(C)c1C ZINC000072372023 571185465 /nfs/dbraw/zinc/18/54/65/571185465.db2.gz NIXFRSWNPYOUKK-FQEVSTJZSA-N 1 0 372.553 4.091 40 0 FIABRO CCc1nnc(Nc2cccc([C@H]3CCC[N@H+](CC(C)(C)C)C3)n2)s1 ZINC000072375970 571185809 /nfs/dbraw/zinc/18/58/09/571185809.db2.gz KIZFQBRCJIJIHK-AWEZNQCLSA-N 1 0 359.543 4.465 40 0 FIABRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2c2cc[nH]n2)cc1 ZINC000072395164 571190417 /nfs/dbraw/zinc/19/04/17/571190417.db2.gz HJGRDBHPWWKQJS-ZWKOTPCHSA-N 1 0 369.415 4.080 40 0 FIABRO Fc1ccc(C[N@@H+]2C[C@@H]3Cc4cnc(Nc5ccccc5)nc4[C@@H]3C2)cc1 ZINC000306131147 571213899 /nfs/dbraw/zinc/21/38/99/571213899.db2.gz JXUSTSWZHHXBMD-FXAWDEMLSA-N 1 0 360.436 4.131 40 0 FIABRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(OC)c2nc(C)ccc2c1OC ZINC000001563138 571214449 /nfs/dbraw/zinc/21/44/49/571214449.db2.gz BVZKGKZHIUQDIN-OAHLLOKOSA-N 1 0 359.514 4.483 40 0 FIABRO C[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000012188822 571303439 /nfs/dbraw/zinc/30/34/39/571303439.db2.gz VYMNHOWTMIKDOZ-ZPMCFJSWSA-N 1 0 354.538 4.197 40 0 FIABRO CN1C(=O)CCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1ccccc1F ZINC000019713171 571304589 /nfs/dbraw/zinc/30/45/89/571304589.db2.gz YTBVYKDIBIKNSU-FCHUYYIVSA-N 1 0 366.480 4.468 40 0 FIABRO CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000257274404 571321797 /nfs/dbraw/zinc/32/17/97/571321797.db2.gz NKYYBJLUNAGDTO-GOSISDBHSA-N 1 0 359.477 4.312 40 0 FIABRO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000009062587 1088862096 /nfs/dbraw/zinc/86/20/96/1088862096.db2.gz AFNQSRJUDZNWJF-UHFFFAOYSA-N 1 0 364.533 4.264 40 0 FIABRO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527863445 1109843152 /nfs/dbraw/zinc/84/31/52/1109843152.db2.gz KPGCNBAGYUKLFP-LJQANCHMSA-N 1 0 362.832 4.093 40 0 FIABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000224096125 222806835 /nfs/dbraw/zinc/80/68/35/222806835.db2.gz BEOHYMDULICQSA-UHFFFAOYSA-N 1 0 366.505 4.098 40 0 FIABRO O=C(Cc1ccc(Cl)cc1F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224536537 222815057 /nfs/dbraw/zinc/81/50/57/222815057.db2.gz FPRJNWCZJLUEFK-UHFFFAOYSA-N 1 0 374.887 4.324 40 0 FIABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225703509 222862214 /nfs/dbraw/zinc/86/22/14/222862214.db2.gz QOLIKGFEMOBGJA-OAQYLSRUSA-N 1 0 364.530 4.331 40 0 FIABRO CC(C)Oc1cccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225730722 222863887 /nfs/dbraw/zinc/86/38/87/222863887.db2.gz UVDHBOBDMUIHGV-IRXDYDNUSA-N 1 0 363.571 4.128 40 0 FIABRO [NH3+]C[C@H]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)CC1 ZINC000257318920 223064562 /nfs/dbraw/zinc/06/45/62/223064562.db2.gz VPYUSLOFROAZES-HDJSIYSDSA-N 1 0 366.490 4.176 40 0 FIABRO Cc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044874478 211803048 /nfs/dbraw/zinc/80/30/48/211803048.db2.gz UOTRIWLUUCWEGS-UHFFFAOYSA-N 1 0 350.506 4.230 40 0 FIABRO COc1ccc(-c2[nH]c3ncccc3c2C[N@H+](C)CCc2ccncc2)cc1 ZINC000019586289 211238527 /nfs/dbraw/zinc/23/85/27/211238527.db2.gz VEBHHDFOLLRTDF-UHFFFAOYSA-N 1 0 372.472 4.308 40 0 FIABRO COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2cc3c[nH+]ccc3[nH]2)C1 ZINC000019559012 211232566 /nfs/dbraw/zinc/23/25/66/211232566.db2.gz IWPDXKSWYBGYCM-ZDUSSCGKSA-N 1 0 369.852 4.245 40 0 FIABRO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC000019499191 211226050 /nfs/dbraw/zinc/22/60/50/211226050.db2.gz UREVCKHAKRCXEG-YPAWHYETSA-N 1 0 372.528 4.432 40 0 FIABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](CC(C)C)CC1 ZINC000019236853 211209144 /nfs/dbraw/zinc/20/91/44/211209144.db2.gz OGZINXGDOROPMZ-JOCHJYFZSA-N 1 0 365.521 4.229 40 0 FIABRO c1ccc2c(C[N@@H+]3CCC[C@@H]3c3nnc(-c4cccnc4)o3)ccnc2c1 ZINC000019376091 211220967 /nfs/dbraw/zinc/22/09/67/211220967.db2.gz SPLJPFJJQRGBBL-LJQANCHMSA-N 1 0 357.417 4.017 40 0 FIABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000019371971 211219399 /nfs/dbraw/zinc/21/93/99/211219399.db2.gz YOQUVFHGMHDYHY-GOSISDBHSA-N 1 0 367.493 4.117 40 0 FIABRO Clc1ccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019333894 211217207 /nfs/dbraw/zinc/21/72/07/211217207.db2.gz WOEIYIUWEKKTKM-UHFFFAOYSA-N 1 0 354.841 4.165 40 0 FIABRO Cc1ccc(NC(=S)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000018943652 211200426 /nfs/dbraw/zinc/20/04/26/211200426.db2.gz MDHQPROCVBHYKT-UHFFFAOYSA-N 1 0 353.535 4.468 40 0 FIABRO CC(=O)N(C)C1CCC2(CC1)C[N@H+](CC(C)(C)C)Cc1ccccc1O2 ZINC000019016288 211200510 /nfs/dbraw/zinc/20/05/10/211200510.db2.gz LHFCLGHMIQUWRA-UHFFFAOYSA-N 1 0 358.526 4.087 40 0 FIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nc([C@@H]3CCCCN3C)ncc2C1 ZINC000019014420 211199862 /nfs/dbraw/zinc/19/98/62/211199862.db2.gz BBTSNGLGZUNIKA-RRXSNJIPSA-N 1 0 362.521 4.095 40 0 FIABRO Cc1ccc(C2(O)CC[NH+](Cc3cn(C)c4ccc(F)cc34)CC2)cc1 ZINC000019208607 211206172 /nfs/dbraw/zinc/20/61/72/211206172.db2.gz BESDUMKPMJHYBD-UHFFFAOYSA-N 1 0 352.453 4.109 40 0 FIABRO Cc1cnc2[nH]c(C(F)(F)F)c(C[N@H+](C)CCOc3ccccc3)c2c1 ZINC000019124946 211205034 /nfs/dbraw/zinc/20/50/34/211205034.db2.gz UPKGDQWRXIQRDR-UHFFFAOYSA-N 1 0 363.383 4.401 40 0 FIABRO O=C(COc1ccc(Cl)cc1Cl)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013425029 211033260 /nfs/dbraw/zinc/03/32/60/211033260.db2.gz QSWYVTSVHDNZFA-CJNGLKHVSA-N 1 0 372.292 4.180 40 0 FIABRO O=C(COc1ccc(Cl)cc1Cl)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013425028 211032945 /nfs/dbraw/zinc/03/29/45/211032945.db2.gz QSWYVTSVHDNZFA-BBRMVZONSA-N 1 0 372.292 4.180 40 0 FIABRO O=C(OCc1ccccc1C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000001716178 210367099 /nfs/dbraw/zinc/36/70/99/210367099.db2.gz QQUUTAHOQTUAJE-UHFFFAOYSA-N 1 0 374.278 4.402 40 0 FIABRO CC(=O)O[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001701274 210366329 /nfs/dbraw/zinc/36/63/29/210366329.db2.gz AHLVYOADQOSJBO-IRLDBZIGSA-N 1 0 351.446 4.028 40 0 FIABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1)c1ccc(Cl)cc1 ZINC000022336670 220384412 /nfs/dbraw/zinc/38/44/12/220384412.db2.gz ATBLUOQZDJJSSN-SEJPIABJSA-N 1 0 368.908 4.308 40 0 FIABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 ZINC000049169391 221021178 /nfs/dbraw/zinc/02/11/78/221021178.db2.gz VPYZMFPGHVZNOR-INIZCTEOSA-N 1 0 369.852 4.388 40 0 biogenic,in-vitro FIABRO O=C(c1ccc(-c2cccs2)cc1)N1C[C@H]2C[NH2+]C[C@@H]2c2ccccc21 ZINC000096157006 132220882 /nfs/dbraw/zinc/22/08/82/132220882.db2.gz SXLZOEUGHZXZSO-MJGOQNOKSA-N 1 0 360.482 4.379 40 0 FIABRO FC(F)(F)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCCCC2)COC1 ZINC000096112691 222029564 /nfs/dbraw/zinc/02/95/64/222029564.db2.gz ZVIKOWKDRHTYJF-AWEZNQCLSA-N 1 0 353.388 4.049 40 0 biogenic,in-vitro FIABRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)s1 ZINC000096049417 222001284 /nfs/dbraw/zinc/00/12/84/222001284.db2.gz RUUMKSHYSIUGHW-UHFFFAOYSA-N 1 0 354.519 4.214 40 0 FIABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccsc2)CC3)c1 ZINC000096049433 222001516 /nfs/dbraw/zinc/00/15/16/222001516.db2.gz WVUCQSIRANDQNF-UHFFFAOYSA-N 1 0 354.519 4.214 40 0 FIABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)s1 ZINC000096100307 222022430 /nfs/dbraw/zinc/02/24/30/222022430.db2.gz CDLIVLOXLFNKAL-NRFANRHFSA-N 1 0 354.519 4.203 40 0 FIABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000100750225 222251752 /nfs/dbraw/zinc/25/17/52/222251752.db2.gz UTADVVGQSDLMRJ-JQVVWYNYSA-N 1 0 357.542 4.187 40 0 FIABRO O=C(NCCC[NH+]1CCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000010450017 263365562 /nfs/dbraw/zinc/36/55/62/263365562.db2.gz SKQQCDCNOYVQBM-LVZFUZTISA-N 1 0 368.908 4.483 40 0 FIABRO COc1cccc2c1O[C@](C)(CCCC(C)C)[C@H]1CC3(C[NH2+]C3)CO[C@H]21 ZINC000257224481 533900038 /nfs/dbraw/zinc/90/00/38/533900038.db2.gz FBZMXFLQKPRSCQ-FBBABVLZSA-N 1 0 359.510 4.340 40 0 FIABRO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000020460916 521221790 /nfs/dbraw/zinc/22/17/90/521221790.db2.gz NXCAVYXXIWAXPQ-QGZVFWFLSA-N 1 0 352.478 4.172 40 0 FIABRO O=C(CCCc1ccccc1)N1[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000085471090 526458525 /nfs/dbraw/zinc/45/85/25/526458525.db2.gz WHDYGSTYSBIMMC-ZRZAMGCNSA-N 1 0 362.517 4.275 40 0 FIABRO CC(C)CCC[C@@]1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CC[NH2+]C[C@@H]3C[C@H]21 ZINC000257277570 527705573 /nfs/dbraw/zinc/70/55/73/527705573.db2.gz NYMGABYFCFKRPP-KMUCGFTESA-N 1 0 359.510 4.425 40 0 FIABRO CCCc1ccc(OCc2ccccc2)c(C[N@@H+]2C[C@@H]3C[C@@H](O)C[C@@H]3C2)c1 ZINC000257248341 528625921 /nfs/dbraw/zinc/62/59/21/528625921.db2.gz JDEUKQCQOYLIQR-SGRGSNTQSA-N 1 0 365.517 4.421 40 0 FIABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216207700 568112474 /nfs/dbraw/zinc/11/24/74/568112474.db2.gz MOBUYNKVVRHSQH-PMACEKPBSA-N 1 0 360.542 4.232 40 0 FIABRO O=C(NCCOc1cccc2ccccc21)c1ccc(C[NH+]2CCCC2)cc1 ZINC000223535300 568666267 /nfs/dbraw/zinc/66/62/67/568666267.db2.gz FDYFJVZFBUAOAU-UHFFFAOYSA-N 1 0 374.484 4.244 40 0 FIABRO c1nc(Nc2cccc(C[C@@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585262994 570481959 /nfs/dbraw/zinc/48/19/59/570481959.db2.gz HCEHMSAEKRHLHG-HNNXBMFYSA-N 1 0 350.491 4.491 40 0 FIABRO O[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271340 570485430 /nfs/dbraw/zinc/48/54/30/570485430.db2.gz WVEJGCLUKIIZRJ-QFIPXVFZSA-N 1 0 368.452 4.103 40 0 FIABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCc3ccc(C)c(C)c3)[C@H]2O)c1 ZINC000585288497 570496620 /nfs/dbraw/zinc/49/66/20/570496620.db2.gz CEKXSKZWWQHCKH-YTFSRNRJSA-N 1 0 353.506 4.105 40 0 FIABRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752094 570525130 /nfs/dbraw/zinc/52/51/30/570525130.db2.gz IUKBSJKDVDQOSG-PKTZIBPZSA-N 1 0 373.537 4.273 40 0 FIABRO CCCC[NH+](CCCC)C[C@@H](O)COC(=O)Nc1cccc(Cl)c1 ZINC000005973426 570639794 /nfs/dbraw/zinc/63/97/94/570639794.db2.gz SIHWPWSSOYTRBD-QGZVFWFLSA-N 1 0 356.894 4.152 40 0 FIABRO CC(C)(CO)[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000006883110 570656047 /nfs/dbraw/zinc/65/60/47/570656047.db2.gz UGTNCMJVQIWZKU-UHFFFAOYSA-N 1 0 353.437 4.418 40 0 FIABRO S=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc(Cl)cc1 ZINC000007009253 570658450 /nfs/dbraw/zinc/65/84/50/570658450.db2.gz WIFZKBUNYMZDLC-UHFFFAOYSA-N 1 0 359.926 4.422 40 0 FIABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 ZINC000004888008 570672712 /nfs/dbraw/zinc/67/27/12/570672712.db2.gz DWZJFQZNAPEGLD-FRIKZZABSA-N 1 0 366.480 4.450 40 0 FIABRO Cc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000008685978 570684870 /nfs/dbraw/zinc/68/48/70/570684870.db2.gz FRBYBRWFILVMSI-ALOPSCKCSA-N 1 0 355.507 4.070 40 0 FIABRO CCCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000009991907 570698173 /nfs/dbraw/zinc/69/81/73/570698173.db2.gz DMBWTYQERJQFLQ-UHFFFAOYSA-N 1 0 352.478 4.001 40 0 FIABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111096 570698238 /nfs/dbraw/zinc/69/82/38/570698238.db2.gz ABRIZANCYAGAMW-HNNXBMFYSA-N 1 0 354.947 4.203 40 0 FIABRO CCn1cncc1CN(Cc1ccccc1F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012143707 570722187 /nfs/dbraw/zinc/72/21/87/570722187.db2.gz RQKZNRFVYXJSNF-UHFFFAOYSA-N 1 0 372.532 4.354 40 0 FIABRO COc1ccccc1C1(O)CC[NH+](Cc2c(C)[nH]c3cc(C)ccc32)CC1 ZINC000012330704 570737432 /nfs/dbraw/zinc/73/74/32/570737432.db2.gz YIPLIFFPCCHMLR-UHFFFAOYSA-N 1 0 364.489 4.277 40 0 FIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000013674520 570783821 /nfs/dbraw/zinc/78/38/21/570783821.db2.gz SLXIHUDESNWVTR-OALUTQOASA-N 1 0 350.506 4.451 40 0 FIABRO CCOc1cc(C[NH2+]C)cc(Br)c1OCc1ccc(F)cc1 ZINC000008253967 570794475 /nfs/dbraw/zinc/79/44/75/570794475.db2.gz GIMIUINBYMWGMC-UHFFFAOYSA-N 1 0 368.246 4.285 40 0 FIABRO COCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008469138 570795894 /nfs/dbraw/zinc/79/58/94/570795894.db2.gz CGDXVDHLBIFXNX-UHFFFAOYSA-N 1 0 370.276 4.317 40 0 FIABRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063387 570797667 /nfs/dbraw/zinc/79/76/67/570797667.db2.gz YPHLQYIZHUGDKY-UHFFFAOYSA-N 1 0 358.869 4.199 40 0 FIABRO CCN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1C[NH2+]C2(C1)CCCCC2 ZINC000019704030 570857141 /nfs/dbraw/zinc/85/71/41/570857141.db2.gz RZHCAIXUCGKIRC-SFHVURJKSA-N 1 0 353.510 4.014 40 0 FIABRO C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCC[N@H+](C)Cc2ccccc2)o1 ZINC000036697608 570881235 /nfs/dbraw/zinc/88/12/35/570881235.db2.gz RUPTYKLQBBRNLK-NZDACYECSA-N 1 0 352.478 4.055 40 0 FIABRO C[C@H](Sc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189513 570972467 /nfs/dbraw/zinc/97/24/67/570972467.db2.gz IURKTFBAYFSEFG-KRWDZBQOSA-N 1 0 354.519 4.079 40 0 FIABRO Cc1ccc(S[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024652040 570979731 /nfs/dbraw/zinc/97/97/31/570979731.db2.gz HJDMOPGXJVIHOO-SFHVURJKSA-N 1 0 368.546 4.388 40 0 FIABRO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000224493038 570991437 /nfs/dbraw/zinc/99/14/37/570991437.db2.gz PZZGOUAYGLZHIJ-UHFFFAOYSA-N 1 0 364.533 4.340 40 0 FIABRO C[C@@H](CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000224534566 570992189 /nfs/dbraw/zinc/99/21/89/570992189.db2.gz IGRMTHZWGRZUFZ-KRWDZBQOSA-N 1 0 370.924 4.472 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)c1 ZINC000224528854 570992397 /nfs/dbraw/zinc/99/23/97/570992397.db2.gz WDDFGBUICYWDOO-IBGZPJMESA-N 1 0 350.506 4.127 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 ZINC000224937577 571006466 /nfs/dbraw/zinc/00/64/66/571006466.db2.gz POCWGZRONXSEEU-UHFFFAOYSA-N 1 0 364.533 4.345 40 0 FIABRO O=C(Nc1c(F)cccc1F)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039762083 571023594 /nfs/dbraw/zinc/02/35/94/571023594.db2.gz APTPQOQHTIFYHJ-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000039759468 571026234 /nfs/dbraw/zinc/02/62/34/571026234.db2.gz PSYSQBRSBDOCAK-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225698795 571056774 /nfs/dbraw/zinc/05/67/74/571056774.db2.gz HNSXOBMMZPJXOY-NRFANRHFSA-N 1 0 364.530 4.331 40 0 FIABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1c[nH]c2ccccc12 ZINC000036740317 571081470 /nfs/dbraw/zinc/08/14/70/571081470.db2.gz KXTIYBUTUZCHDG-UHFFFAOYSA-N 1 0 374.488 4.466 40 0 FIABRO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849374 571087890 /nfs/dbraw/zinc/08/78/90/571087890.db2.gz SHFKTSJJUPFLKY-INIZCTEOSA-N 1 0 358.869 4.199 40 0 FIABRO CCOc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044851475 571103121 /nfs/dbraw/zinc/10/31/21/571103121.db2.gz HECNEGDRQJUOND-UHFFFAOYSA-N 1 0 366.505 4.044 40 0 FIABRO Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000044874918 571103540 /nfs/dbraw/zinc/10/35/40/571103540.db2.gz VWTPEVIWYXOUOW-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO O=C(NCCCc1ccccc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044909326 571104466 /nfs/dbraw/zinc/10/44/66/571104466.db2.gz BUTKTALSBFPMMA-UHFFFAOYSA-N 1 0 350.506 4.425 40 0 FIABRO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044909269 571104509 /nfs/dbraw/zinc/10/45/09/571104509.db2.gz JKYNNVZBVKREKE-UHFFFAOYSA-N 1 0 370.924 4.301 40 0 FIABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000096029448 571115161 /nfs/dbraw/zinc/11/51/61/571115161.db2.gz LXAZGAMGCBSFHR-UHFFFAOYSA-N 1 0 372.431 4.224 40 0 FIABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260747050 571121659 /nfs/dbraw/zinc/12/16/59/571121659.db2.gz ZSRULTRFQGDXPX-RBUKOAKNSA-N 1 0 360.542 4.124 40 0 FIABRO CCc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000260841100 571124385 /nfs/dbraw/zinc/12/43/85/571124385.db2.gz JICMJDSKRPXHJL-UTKZUKDTSA-N 1 0 368.496 4.478 40 0 FIABRO OC1(c2cccnc2F)CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000072339997 571179306 /nfs/dbraw/zinc/17/93/06/571179306.db2.gz FTVUPIYQPYAENC-UHFFFAOYSA-N 1 0 370.399 4.103 40 0 FIABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000072345891 571179760 /nfs/dbraw/zinc/17/97/60/571179760.db2.gz DYPTUQCNANBWDK-IBGZPJMESA-N 1 0 374.488 4.114 40 0 FIABRO COc1ccccc1Cc1cccc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000072348952 571180503 /nfs/dbraw/zinc/18/05/03/571180503.db2.gz ZABGSBJTMCPRRE-UHFFFAOYSA-N 1 0 373.500 4.456 40 0 FIABRO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072350077 571181405 /nfs/dbraw/zinc/18/14/05/571181405.db2.gz PIZRGAROLMUFNT-KRWDZBQOSA-N 1 0 352.478 4.116 40 0 FIABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072354572 571182237 /nfs/dbraw/zinc/18/22/37/571182237.db2.gz LCYJFHDKYKQFNC-LJQANCHMSA-N 1 0 366.415 4.341 40 0 FIABRO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072369959 571184996 /nfs/dbraw/zinc/18/49/96/571184996.db2.gz ATNIBGSMFCLVLI-OAHLLOKOSA-N 1 0 374.366 4.140 40 0 FIABRO Cc1cccc(Nc2cncc([C@H]3CCC[N@@H+]3CCc3ccccc3)n2)n1 ZINC000072376236 571186087 /nfs/dbraw/zinc/18/60/87/571186087.db2.gz LYYIDLHWLJGYPX-HXUWFJFHSA-N 1 0 359.477 4.303 40 0 FIABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)nc1 ZINC000072377563 571186513 /nfs/dbraw/zinc/18/65/13/571186513.db2.gz BNWOQFZXWMGBAI-HXUWFJFHSA-N 1 0 373.504 4.346 40 0 FIABRO c1ccc(CCC[N@@H+]2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377923 571186945 /nfs/dbraw/zinc/18/69/45/571186945.db2.gz YVTAZAVZNWJBQM-FQEVSTJZSA-N 1 0 374.492 4.170 40 0 FIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000072379116 571187627 /nfs/dbraw/zinc/18/76/27/571187627.db2.gz FCOQPLNYJXWQSB-HXUWFJFHSA-N 1 0 362.477 4.175 40 0 FIABRO C[C@H](CO)[N@H+](Cc1c2cccnc2[nH]c1C(C)(C)C)Cc1ccccc1 ZINC000072393646 571190280 /nfs/dbraw/zinc/19/02/80/571190280.db2.gz VBVGXFJXAIJNIO-MRXNPFEDSA-N 1 0 351.494 4.243 40 0 FIABRO O=C(c1cccs1)N1C[C@@H]2CCCC[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000072399165 571190660 /nfs/dbraw/zinc/19/06/60/571190660.db2.gz PYYJZMHONYYQPE-FUHWJXTLSA-N 1 0 358.482 4.014 40 0 FIABRO CC(C)CC[N@@H+]1CCC[C@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 ZINC000585100604 571221457 /nfs/dbraw/zinc/22/14/57/571221457.db2.gz PJIDYGFFQPGGOZ-NRFANRHFSA-N 1 0 361.530 4.305 40 0 FIABRO c1csc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)c1 ZINC000585105237 571224371 /nfs/dbraw/zinc/22/43/71/571224371.db2.gz RGPQAIKCCSFPHQ-IBGZPJMESA-N 1 0 372.534 4.121 40 0 FIABRO COc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)[N@@H+]4CCC[C@]34C2)cc1 ZINC000247898696 571290904 /nfs/dbraw/zinc/29/09/04/571290904.db2.gz POZRIAYNGJCFQS-DSKINZAPSA-N 1 0 354.519 4.168 40 0 FIABRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cc(C)ccc2C)cc1OC ZINC000247879345 571290932 /nfs/dbraw/zinc/29/09/32/571290932.db2.gz QFYQFRXUOSIZJU-PMACEKPBSA-N 1 0 355.478 4.191 40 0 FIABRO [NH2+]=C1N[C@H]([C@@H](O)c2ccccc2)[C@H](c2ccc(Cc3ccccc3)cc2)S1 ZINC000253578320 571291754 /nfs/dbraw/zinc/29/17/54/571291754.db2.gz YERVHPOPRCNVGW-FSSWDIPSSA-N 1 0 374.509 4.482 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCc3cccc(C)c3)CC2)cc1 ZINC000009062612 571302396 /nfs/dbraw/zinc/30/23/96/571302396.db2.gz HJBPHGMBAHJKOO-UHFFFAOYSA-N 1 0 364.533 4.264 40 0 FIABRO Clc1ccc(OCc2cc([C@H]3CC[N@H+](Cc4ccncc4)C3)n[nH]2)cc1 ZINC000019695887 571304372 /nfs/dbraw/zinc/30/43/72/571304372.db2.gz NDFAIIBAQYLVSJ-INIZCTEOSA-N 1 0 368.868 4.027 40 0 FIABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2C(=O)c1ccccc1 ZINC000019713450 571304818 /nfs/dbraw/zinc/30/48/18/571304818.db2.gz HDEALNACQKNVKN-GPXNEJASSA-N 1 0 362.517 4.435 40 0 FIABRO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030943784 571305397 /nfs/dbraw/zinc/30/53/97/571305397.db2.gz OZLOTUGVWUREQQ-RXVVDRJESA-N 1 0 368.496 4.175 40 0 FIABRO CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CC[NH+](CC(C)C)CC1 ZINC000257333062 529841141 /nfs/dbraw/zinc/84/11/41/529841141.db2.gz XZYKWTRGLLMMGC-UHFFFAOYSA-N 1 0 370.562 4.442 40 0 FIABRO Cc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306123336 210049656 /nfs/dbraw/zinc/04/96/56/210049656.db2.gz AKLYWWGRPBWFGZ-OAQYLSRUSA-N 1 0 365.502 4.095 40 0 FIABRO CC(C)Cn1cnc2c1C1(CC[NH+](CC3CC3)CC1)Oc1ccccc1-2 ZINC000306125734 210049039 /nfs/dbraw/zinc/04/90/39/210049039.db2.gz DADYHYMKJNOZSG-UHFFFAOYSA-N 1 0 351.494 4.300 40 0 FIABRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000000778780 219319247 /nfs/dbraw/zinc/31/92/47/219319247.db2.gz SAPLWSNUXPSAOS-SFHVURJKSA-N 1 0 350.506 4.310 40 0 FIABRO C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224782877 222820298 /nfs/dbraw/zinc/82/02/98/222820298.db2.gz BDDPTHIMQUXZTB-MRXNPFEDSA-N 1 0 372.896 4.020 40 0 FIABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225503925 222845839 /nfs/dbraw/zinc/84/58/39/222845839.db2.gz GVZCUYTWNGBOLP-UHFFFAOYSA-N 1 0 366.505 4.468 40 0 FIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225692597 222860798 /nfs/dbraw/zinc/86/07/98/222860798.db2.gz RPSYOHMVDBTJSF-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO CCC(C)(C)n1nnnc1[C@H](C(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004230365 219556410 /nfs/dbraw/zinc/55/64/10/219556410.db2.gz JWNNXUBXAUBATN-FQEVSTJZSA-N 1 0 369.557 4.470 40 0 FIABRO CC1(C)CC(NC(=S)Nc2ccc(C(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000017074140 220203936 /nfs/dbraw/zinc/20/39/36/220203936.db2.gz MDXGWHPPRLTSHY-UHFFFAOYSA-N 1 0 359.461 4.301 40 0 FIABRO Cc1cccc(CSCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000024114480 211401720 /nfs/dbraw/zinc/40/17/20/211401720.db2.gz XRJUANZHSUDDNN-UHFFFAOYSA-N 1 0 368.546 4.140 40 0 FIABRO COc1ccccc1C[C@H](C)NC(=O)CC1CC[NH+](C2CCCCC2)CC1 ZINC000019748219 211253797 /nfs/dbraw/zinc/25/37/97/211253797.db2.gz BQJLFZMDRHOTEX-SFHVURJKSA-N 1 0 372.553 4.177 40 0 FIABRO C[C@@H](NC(=O)CC1CC[NH+](C2CCCCC2)CC1)c1nc2ccccc2[nH]1 ZINC000019748801 211253224 /nfs/dbraw/zinc/25/32/24/211253224.db2.gz LIHJSICVRKNADX-MRXNPFEDSA-N 1 0 368.525 4.175 40 0 FIABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)CC1CCCC1)Cc1ccccc1O2 ZINC000019583979 211238871 /nfs/dbraw/zinc/23/88/71/211238871.db2.gz WNZHDVXSWVFSLQ-UHFFFAOYSA-N 1 0 370.537 4.231 40 0 FIABRO CC(C)n1c2ccccc2nc1-c1cncn1CCC[NH+]1CCCCC1 ZINC000019654458 211243604 /nfs/dbraw/zinc/24/36/04/211243604.db2.gz MCNKYVPAQNUSJL-UHFFFAOYSA-N 1 0 351.498 4.357 40 0 FIABRO CCn1cc(C[NH+]2CCC(n3nc(C)cc3C)CC2)c2cc(OC)ccc21 ZINC000019659278 211243717 /nfs/dbraw/zinc/24/37/17/211243717.db2.gz OWSCLSOTBCGXEW-UHFFFAOYSA-N 1 0 366.509 4.320 40 0 FIABRO Cc1cc(C)n(C2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)n1 ZINC000019656681 211242868 /nfs/dbraw/zinc/24/28/68/211242868.db2.gz KNGBAZSKJJNOBA-UHFFFAOYSA-N 1 0 369.900 4.381 40 0 FIABRO Cc1cc(C)n(C2CC[NH+](Cc3cnc(-c4ccc(C)cc4)nc3)CC2)n1 ZINC000019658401 211242156 /nfs/dbraw/zinc/24/21/56/211242156.db2.gz YIPZJFCBCRBZLA-UHFFFAOYSA-N 1 0 361.493 4.102 40 0 FIABRO c1ccc2c(C[NH+]3CCC(c4nnc(-c5ccncc5)o4)CC3)ccnc2c1 ZINC000019376072 211222064 /nfs/dbraw/zinc/22/20/64/211222064.db2.gz ANJCWOCINIDZPZ-UHFFFAOYSA-N 1 0 371.444 4.059 40 0 FIABRO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2cc3c[nH+]ccc3[nH]2)C1 ZINC000019559009 211232838 /nfs/dbraw/zinc/23/28/38/211232838.db2.gz IWPDXKSWYBGYCM-CYBMUJFWSA-N 1 0 369.852 4.245 40 0 FIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1OC ZINC000019533810 211230350 /nfs/dbraw/zinc/23/03/50/211230350.db2.gz SRQWDDMZRFNKAK-GOSISDBHSA-N 1 0 365.477 4.350 40 0 FIABRO CCCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1)OCO2 ZINC000019503858 211226232 /nfs/dbraw/zinc/22/62/32/211226232.db2.gz ZPLJRUOXNWSVIA-MAUKXSAKSA-N 1 0 372.465 4.002 40 0 FIABRO FC(F)(F)c1ccccc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019361742 211217804 /nfs/dbraw/zinc/21/78/04/211217804.db2.gz QTWQUBHVVOFXOE-RYRKJORJSA-N 1 0 350.428 4.035 40 0 FIABRO OC1(c2ccccc2F)CC[NH+](Cc2c3cccnc3[nH]c2C2CC2)CC1 ZINC000019347963 211217311 /nfs/dbraw/zinc/21/73/11/211217311.db2.gz TZWUZHSRTLWDNJ-UHFFFAOYSA-N 1 0 365.452 4.063 40 0 FIABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000019081600 211202759 /nfs/dbraw/zinc/20/27/59/211202759.db2.gz QJKSAYSNTRKNRJ-GUDVDZBRSA-N 1 0 360.567 4.353 40 0 FIABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cccc(C)c3)C2)nc(-c2cccnc2)n1 ZINC000019234979 211208390 /nfs/dbraw/zinc/20/83/90/211208390.db2.gz WGJHTUZEMVLXOF-HXUWFJFHSA-N 1 0 373.504 4.268 40 0 FIABRO CC1CC[NH+](CCCNC(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000018168937 211193841 /nfs/dbraw/zinc/19/38/41/211193841.db2.gz VSEKSBOHKPQWBK-UHFFFAOYSA-N 1 0 359.461 4.114 40 0 FIABRO CC[NH+](CC)c1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)c(C)c1 ZINC000013086676 211022787 /nfs/dbraw/zinc/02/27/87/211022787.db2.gz MTAFDNRWFDWIIZ-UHFFFAOYSA-N 1 0 365.477 4.303 40 0 FIABRO Cc1nc(Cc2ccccc2)c2c(c1OCCCC[NH2+]C(C)C)COC2 ZINC000003643459 210491103 /nfs/dbraw/zinc/49/11/03/210491103.db2.gz KXSKBNFNSAMNEZ-UHFFFAOYSA-N 1 0 354.494 4.168 40 0 in-man FIABRO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccs2)c1 ZINC000001377829 210347018 /nfs/dbraw/zinc/34/70/18/210347018.db2.gz PNHRWTJZXCMWGX-AYHJJNSGSA-N 1 0 370.518 4.072 40 0 FIABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)o2)cc1 ZINC000049170118 221020483 /nfs/dbraw/zinc/02/04/83/221020483.db2.gz MELBMAWTWVEKQK-INIZCTEOSA-N 1 0 374.444 4.216 40 0 biogenic,in-vitro FIABRO O=C(c1ccc(-c2cccs2)cc1)N1C[C@@H]2C[NH2+]C[C@H]2c2ccccc21 ZINC000096157007 132220918 /nfs/dbraw/zinc/22/09/18/132220918.db2.gz SXLZOEUGHZXZSO-PKOBYXMFSA-N 1 0 360.482 4.379 40 0 FIABRO Fc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 ZINC000096057052 222005341 /nfs/dbraw/zinc/00/53/41/222005341.db2.gz YINWRGIHERSHJW-FCHUYYIVSA-N 1 0 361.501 4.404 40 0 FIABRO COc1ccc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cc1 ZINC000096061591 222008973 /nfs/dbraw/zinc/00/89/73/222008973.db2.gz RQCGRMYAHXPNHF-XZOQPEGZSA-N 1 0 351.490 4.307 40 0 FIABRO Fc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@@H](OCc3ccccc3)CO2)C1 ZINC000096073566 222012067 /nfs/dbraw/zinc/01/20/67/222012067.db2.gz CTDOCRYLOQQYHN-IFMALSPDSA-N 1 0 355.453 4.166 40 0 FIABRO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000096625805 222126519 /nfs/dbraw/zinc/12/65/19/222126519.db2.gz SPYKFMZDGZBZAH-UHFFFAOYSA-N 1 0 374.887 4.050 40 0 FIABRO Cc1cccc(C[NH+]2CCC3(CC2)c2ccccc2N(c2ccoc2)C3=O)n1 ZINC000107358627 222394925 /nfs/dbraw/zinc/39/49/25/222394925.db2.gz MOUZOYOPJLRJHW-UHFFFAOYSA-N 1 0 373.456 4.195 40 0 FIABRO CCOc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039749517 263399066 /nfs/dbraw/zinc/39/90/66/263399066.db2.gz KFBRHYDASFBVPW-UHFFFAOYSA-N 1 0 352.478 4.244 40 0 FIABRO CCOc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020451596 520998555 /nfs/dbraw/zinc/99/85/55/520998555.db2.gz AWTBUSKOHFWLSM-GOSISDBHSA-N 1 0 366.505 4.247 40 0 FIABRO CC(C)CCC[C@@]1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CC[NH2+]C[C@H]3C[C@H]21 ZINC000257277569 527705662 /nfs/dbraw/zinc/70/56/62/527705662.db2.gz NYMGABYFCFKRPP-DDJZRCTDSA-N 1 0 359.510 4.425 40 0 FIABRO C[C@]12C[C@@H](Cc3ccccc3)[N@H+](Cc3ccccc3)[C@H]1CCCCC(=O)N2 ZINC000219773196 568303235 /nfs/dbraw/zinc/30/32/35/568303235.db2.gz SLHHSNZIBXVQSI-GPXNEJASSA-N 1 0 362.517 4.321 40 0 FIABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000223093529 568609247 /nfs/dbraw/zinc/60/92/47/568609247.db2.gz UFTYUKRHGBVGRE-LJQANCHMSA-N 1 0 360.542 4.124 40 0 FIABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000585270559 570484999 /nfs/dbraw/zinc/48/49/99/570484999.db2.gz MMKRAYXLKFCCJH-HSZRJFAPSA-N 1 0 364.489 4.272 40 0 FIABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]Cc3c(C)cccc3Cl)[C@H]2O)c1 ZINC000585290148 570496002 /nfs/dbraw/zinc/49/60/02/570496002.db2.gz UGJNJPHBBWJANF-PWRODBHTSA-N 1 0 359.897 4.407 40 0 FIABRO O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044932971 570539290 /nfs/dbraw/zinc/53/92/90/570539290.db2.gz CABHMTIXRDPSCZ-UGKGYDQZSA-N 1 0 366.480 4.232 40 0 FIABRO CCOP(=O)(OCC)[C@H]1CCC[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]12 ZINC000005395557 570626229 /nfs/dbraw/zinc/62/62/29/570626229.db2.gz XBRZIMWUAYLLQW-HKUYNNGSSA-N 1 0 362.410 4.496 40 0 FIABRO CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 ZINC000005644246 570632215 /nfs/dbraw/zinc/63/22/15/570632215.db2.gz UPEXLJSFWIFHBM-UHFFFAOYSA-N 1 0 357.885 4.043 40 0 FIABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 ZINC000143578766 570635403 /nfs/dbraw/zinc/63/54/03/570635403.db2.gz PMNHALBISBERPU-GOSISDBHSA-N 1 0 362.517 4.265 40 0 FIABRO CC[NH+](CC)CCOC(=O)[C@@H](C1CCCCC1)C1(O)CCCCCC1 ZINC000006382233 570646210 /nfs/dbraw/zinc/64/62/10/570646210.db2.gz CMALZTOOSHBLNK-LJQANCHMSA-N 1 0 353.547 4.153 40 0 FIABRO COc1ccc(C(=O)OCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000006494948 570647936 /nfs/dbraw/zinc/64/79/36/570647936.db2.gz MJEUFNXDZGUHPY-KRWDZBQOSA-N 1 0 353.462 4.427 40 0 FIABRO O=C(/C=C/c1ccc(F)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447732 570664159 /nfs/dbraw/zinc/66/41/59/570664159.db2.gz OCDHMFDHSISUMB-JLHYYAGUSA-N 1 0 352.453 4.141 40 0 FIABRO O=C(COc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007696790 570670170 /nfs/dbraw/zinc/67/01/70/570670170.db2.gz RJFASJNKGHIYAV-UHFFFAOYSA-N 1 0 372.896 4.021 40 0 FIABRO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCCC2)c1 ZINC000004887763 570672557 /nfs/dbraw/zinc/67/25/57/570672557.db2.gz MVAGVQDHJKYVKA-CTXDPNEZSA-N 1 0 356.510 4.143 40 0 FIABRO CC[C@H](CO)[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008326999 570680346 /nfs/dbraw/zinc/68/03/46/570680346.db2.gz HBGWQFHUJRYYBY-GOSISDBHSA-N 1 0 353.437 4.418 40 0 FIABRO O=C(NCCSCc1ccccc1F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010282083 570699484 /nfs/dbraw/zinc/69/94/84/570699484.db2.gz CEQDGCFYPHFWPE-UHFFFAOYSA-N 1 0 372.509 4.085 40 0 FIABRO CC[NH+](CC)CCNc1ncc(-c2ccccn2)c(-c2cccs2)n1 ZINC000012222115 570729362 /nfs/dbraw/zinc/72/93/62/570729362.db2.gz HNCHZHWQCSMZKS-UHFFFAOYSA-N 1 0 353.495 4.021 40 0 FIABRO Cc1cc(-c2snnc2C2CC[NH+](Cc3cccn3C(C)C)CC2)on1 ZINC000012224042 570729395 /nfs/dbraw/zinc/72/93/95/570729395.db2.gz IKCPOQNVKAEBED-UHFFFAOYSA-N 1 0 371.510 4.264 40 0 FIABRO CC(C)[N@@H+]1CC[C@H](CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2)[C@@H](C)C1 ZINC000012241228 570731000 /nfs/dbraw/zinc/73/10/00/570731000.db2.gz HCJTYJZVXXRLGC-CUWPLCDZSA-N 1 0 358.526 4.103 40 0 FIABRO COc1ccc2[nH]c(C[NH+]3CCC(O)(c4cccc(C)c4)CC3)c(C)c2c1 ZINC000012328528 570737190 /nfs/dbraw/zinc/73/71/90/570737190.db2.gz IMRFQKHZMQWMOG-UHFFFAOYSA-N 1 0 364.489 4.277 40 0 FIABRO COc1ccccc1-c1ccc(C[NH+]2CCC(O)(c3cccnc3)CC2)cc1 ZINC000012363704 570738622 /nfs/dbraw/zinc/73/86/22/570738622.db2.gz NBDHXPBWZXSGBB-UHFFFAOYSA-N 1 0 374.484 4.241 40 0 FIABRO Clc1ccc(C2([NH2+]Cc3cnc(N4CCCCC4)nc3)CCC2)cc1 ZINC000012361777 570738716 /nfs/dbraw/zinc/73/87/16/570738716.db2.gz XUVCXPQPJOUMCM-UHFFFAOYSA-N 1 0 356.901 4.289 40 0 FIABRO Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000024181951 570972641 /nfs/dbraw/zinc/97/26/41/570972641.db2.gz FQBWPNJHFQFFTP-IBGZPJMESA-N 1 0 366.505 4.065 40 0 FIABRO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000224532753 570992339 /nfs/dbraw/zinc/99/23/39/570992339.db2.gz CFJWAPWDCQSDFX-KRWDZBQOSA-N 1 0 370.924 4.472 40 0 FIABRO Cc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224681753 570997012 /nfs/dbraw/zinc/99/70/12/570997012.db2.gz NAUMZSJGVCJXIQ-IBGZPJMESA-N 1 0 366.505 4.065 40 0 FIABRO CC1CC[NH+](CCCNC(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000225354599 571030136 /nfs/dbraw/zinc/03/01/36/571030136.db2.gz ZVBCFFQXGOZTPC-UHFFFAOYSA-N 1 0 357.325 4.164 40 0 FIABRO CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225363939 571030867 /nfs/dbraw/zinc/03/08/67/571030867.db2.gz JFKFLHHFEJAJQQ-HXUWFJFHSA-N 1 0 368.496 4.175 40 0 FIABRO S=C(NCCC[NH+]1CCCCCC1)Nc1ccc(Br)cc1 ZINC000225398974 571033300 /nfs/dbraw/zinc/03/33/00/571033300.db2.gz BVVWMEYWYHRFRR-UHFFFAOYSA-N 1 0 370.360 4.002 40 0 FIABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225603021 571048538 /nfs/dbraw/zinc/04/85/38/571048538.db2.gz RBROHHGBHQVTFE-UWJYYQICSA-N 1 0 362.514 4.084 40 0 FIABRO CO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225636257 571051507 /nfs/dbraw/zinc/05/15/07/571051507.db2.gz TXRGIEXBGRNBBS-PGRDOPGGSA-N 1 0 374.525 4.085 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000225642835 571052295 /nfs/dbraw/zinc/05/22/95/571052295.db2.gz KEMSSROHPFNYAC-QUCCMNQESA-N 1 0 372.553 4.104 40 0 FIABRO CSc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030938078 571052782 /nfs/dbraw/zinc/05/27/82/571052782.db2.gz XYGOVBFAQAYTLB-INIZCTEOSA-N 1 0 358.482 4.398 40 0 FIABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225688400 571055757 /nfs/dbraw/zinc/05/57/57/571055757.db2.gz UHPRGSIRMYUIDS-NRFANRHFSA-N 1 0 364.530 4.187 40 0 FIABRO COC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000038835157 571087353 /nfs/dbraw/zinc/08/73/53/571087353.db2.gz BZBWBKHWNFIPQI-UHFFFAOYSA-N 1 0 366.461 4.102 40 0 FIABRO CC(C)C(NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)C(C)C ZINC000038849162 571087731 /nfs/dbraw/zinc/08/77/31/571087731.db2.gz SWVVNNVDRQZJMZ-QGZVFWFLSA-N 1 0 350.934 4.349 40 0 FIABRO Cc1cccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044874704 571103399 /nfs/dbraw/zinc/10/33/99/571103399.db2.gz IDFUGNFIYQMCID-LJQANCHMSA-N 1 0 366.505 4.065 40 0 FIABRO O=C(NCc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044932024 571104958 /nfs/dbraw/zinc/10/49/58/571104958.db2.gz ADIJKQSBBUBFPL-QGZVFWFLSA-N 1 0 360.860 4.008 40 0 FIABRO CC[N@@H+](Cc1ccccc1)C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000006325629 571127137 /nfs/dbraw/zinc/12/71/37/571127137.db2.gz FOZUHRZVYREPSW-NEUFXUDDSA-N 1 0 371.565 4.493 40 0 FIABRO CCCC[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575421330 571149663 /nfs/dbraw/zinc/14/96/63/571149663.db2.gz OOOZMIVCRTZYSK-FQEVSTJZSA-N 1 0 357.519 4.065 40 0 FIABRO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072369957 571184907 /nfs/dbraw/zinc/18/49/07/571184907.db2.gz YEEURVYXFMZFAT-OAHLLOKOSA-N 1 0 374.366 4.140 40 0 FIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000072390077 571189711 /nfs/dbraw/zinc/18/97/11/571189711.db2.gz OSQUWYWXPCTAJM-HNNXBMFYSA-N 1 0 355.463 4.186 40 0 FIABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)cs1 ZINC000585104425 571223995 /nfs/dbraw/zinc/22/39/95/571223995.db2.gz IHXUZETUEOONJE-HXUWFJFHSA-N 1 0 372.534 4.121 40 0 FIABRO O=C(Nc1c(F)cccc1F)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063247 571302607 /nfs/dbraw/zinc/30/26/07/571302607.db2.gz FCFATKRJQISXFY-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO Clc1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4ccncc4)C3)n[nH]2)cc1 ZINC000019695886 571304318 /nfs/dbraw/zinc/30/43/18/571304318.db2.gz NDFAIIBAQYLVSJ-MRXNPFEDSA-N 1 0 368.868 4.027 40 0 FIABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CN(Cc4cccs4)CCO3)CC2)c1 ZINC000306137750 210055484 /nfs/dbraw/zinc/05/54/84/210055484.db2.gz REZYCWRPAQXHKK-QFIPXVFZSA-N 1 0 370.562 4.314 40 0 FIABRO c1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccccc5)cn4n3)C2)cc1 ZINC000306123629 210048419 /nfs/dbraw/zinc/04/84/19/210048419.db2.gz ASMUXSWGROAPSN-NRFANRHFSA-N 1 0 354.457 4.386 40 0 FIABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000040373049 210044856 /nfs/dbraw/zinc/04/48/56/210044856.db2.gz ZANHFFQEVFCQHR-MZKRTTBSSA-N 1 0 367.533 4.174 40 0 FIABRO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224536328 222815007 /nfs/dbraw/zinc/81/50/07/222815007.db2.gz POIWHFQKXGWGBG-UHFFFAOYSA-N 1 0 374.887 4.050 40 0 FIABRO Cc1ccccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224681808 222817915 /nfs/dbraw/zinc/81/79/15/222817915.db2.gz NAUMZSJGVCJXIQ-LJQANCHMSA-N 1 0 366.505 4.065 40 0 FIABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC(C)CC1 ZINC000225640730 222857435 /nfs/dbraw/zinc/85/74/35/222857435.db2.gz JZOBIONPLZGRKS-UHFFFAOYSA-N 1 0 374.525 4.085 40 0 FIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225619054 222855355 /nfs/dbraw/zinc/85/53/55/222855355.db2.gz NLEWATRLALFBFX-OAQYLSRUSA-N 1 0 364.530 4.331 40 0 FIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 ZINC000225727430 222864156 /nfs/dbraw/zinc/86/41/56/222864156.db2.gz OOIKLAGQEALCPD-ZIAGYGMSSA-N 1 0 373.488 4.360 40 0 FIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000225728709 222864192 /nfs/dbraw/zinc/86/41/92/222864192.db2.gz ICGSXNXOMCFWEG-STQMWFEESA-N 1 0 357.926 4.134 40 0 FIABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)N2CCc3ccccc3C2)c1 ZINC000257216215 223023204 /nfs/dbraw/zinc/02/32/04/223023204.db2.gz CTPDFKJAUHACCV-UHFFFAOYSA-N 1 0 371.484 4.009 40 0 FIABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)COC(C)C)C3)c2)cc1 ZINC000257268920 223044065 /nfs/dbraw/zinc/04/40/65/223044065.db2.gz MNUMPJDGDRHZEV-SFHVURJKSA-N 1 0 367.493 4.183 40 0 FIABRO CN1c2ccccc2SC1=CC=Cc1cc[n+](CCO)c2ccccc12 ZINC000061717408 212025364 /nfs/dbraw/zinc/02/53/64/212025364.db2.gz MCHWKUZCZFLSFP-UHFFFAOYSA-N 1 0 361.490 4.149 40 0 in-vitro FIABRO C[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1 ZINC000045209787 211811750 /nfs/dbraw/zinc/81/17/50/211811750.db2.gz XVAUQMOGZLUEQB-NQIIRXRSSA-N 1 0 354.538 4.125 40 0 FIABRO Cc1ccc(OCCCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024189768 211402485 /nfs/dbraw/zinc/40/24/85/211402485.db2.gz RCSXVFAWJBRKAU-UHFFFAOYSA-N 1 0 366.505 4.066 40 0 FIABRO C[C@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2ccccc2s1 ZINC000019459837 211223312 /nfs/dbraw/zinc/22/33/12/211223312.db2.gz XPKJWVXINALCFQ-ZDUSSCGKSA-N 1 0 359.539 4.420 40 0 FIABRO COc1ccccc1C[NH+]1CCC(n2c3cc(Cl)ccc3oc2=O)CC1 ZINC000019570182 211234611 /nfs/dbraw/zinc/23/46/11/211234611.db2.gz XROCPWZWYJBBQF-UHFFFAOYSA-N 1 0 372.852 4.094 40 0 FIABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1OC ZINC000019533806 211231364 /nfs/dbraw/zinc/23/13/64/211231364.db2.gz DJPJZWYHPRQCIC-QGZVFWFLSA-N 1 0 365.477 4.350 40 0 FIABRO CCc1c(C)noc1-c1snnc1C1CC[NH+](CC2CCCC2)CC1 ZINC000019521795 211228660 /nfs/dbraw/zinc/22/86/60/211228660.db2.gz BVJDRILXLRDIET-UHFFFAOYSA-N 1 0 360.527 4.434 40 0 FIABRO COc1ccccc1OCC[N@H+](C)Cc1c2cccnc2[nH]c1C(C)(C)C ZINC000019083435 211201532 /nfs/dbraw/zinc/20/15/32/211201532.db2.gz NRWMWUCMZUPWEG-UHFFFAOYSA-N 1 0 367.493 4.380 40 0 FIABRO Cc1ccccc1C1(O)CC[NH+](Cc2c3cccnc3[nH]c2C(C)C)CC1 ZINC000019236916 211208484 /nfs/dbraw/zinc/20/84/84/211208484.db2.gz HQMNQIBQTKRPCI-UHFFFAOYSA-N 1 0 363.505 4.478 40 0 FIABRO CCOC(=O)[C@H](C)Oc1ccc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000036611752 211121271 /nfs/dbraw/zinc/12/12/71/211121271.db2.gz JUUYOLSVNPHHBX-INIZCTEOSA-N 1 0 363.498 4.228 40 0 FIABRO O=C(CC(c1ccccc1)c1ccccc1)NCC[NH+]1CCCCCC1 ZINC000013717064 211052646 /nfs/dbraw/zinc/05/26/46/211052646.db2.gz IEDZMWJGYFOFHY-UHFFFAOYSA-N 1 0 350.506 4.201 40 0 FIABRO CSC(Cc1ccc2c(c1)Sc1ccccc1O2)=[N+]1CCOCC1 ZINC000001858294 210373964 /nfs/dbraw/zinc/37/39/64/210373964.db2.gz QFGHVXPYRHVWJH-UHFFFAOYSA-N 1 0 358.508 4.290 40 0 FIABRO CC(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001701275 210366484 /nfs/dbraw/zinc/36/64/84/210366484.db2.gz AHLVYOADQOSJBO-IFMALSPDSA-N 1 0 351.446 4.028 40 0 FIABRO Cc1ccccc1Cc1cccc(C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000072350090 221476904 /nfs/dbraw/zinc/47/69/04/221476904.db2.gz DNPFLKOLSOSNPG-UHFFFAOYSA-N 1 0 350.506 4.339 40 0 FIABRO Cc1cccc(C[N@H+]2CCC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)c1 ZINC000072353635 221479243 /nfs/dbraw/zinc/47/92/43/221479243.db2.gz HXRHBVIASYNZLG-FQEVSTJZSA-N 1 0 360.505 4.479 40 0 FIABRO C[C@@H](NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000072344536 221473299 /nfs/dbraw/zinc/47/32/99/221473299.db2.gz SRIZHVZQARZTTN-CQSZACIVSA-N 1 0 368.443 4.222 40 0 FIABRO Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)C[NH2+]CCc1ccccc1 ZINC000004894692 132255354 /nfs/dbraw/zinc/25/53/54/132255354.db2.gz PROJJJKVXFPPGE-SFHVURJKSA-N 1 0 350.506 4.446 40 0 FIABRO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328958976 132371843 /nfs/dbraw/zinc/37/18/43/132371843.db2.gz ARQRWNHJWYGDLZ-UHFFFAOYSA-N 1 0 366.509 4.355 40 0 FIABRO Cc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NC(C)C)[nH+]1 ZINC000329040816 132372809 /nfs/dbraw/zinc/37/28/09/132372809.db2.gz SGDXUWSKLXEZSR-UHFFFAOYSA-N 1 0 366.387 4.067 40 0 FIABRO Fc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1 ZINC000096058702 222008019 /nfs/dbraw/zinc/00/80/19/222008019.db2.gz KXZBKBILYRTKNF-UHFFFAOYSA-N 1 0 351.400 4.023 40 0 FIABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccco3)CC1)nc2-c1cccnc1 ZINC000096099940 222022267 /nfs/dbraw/zinc/02/22/67/222022267.db2.gz LZRCTMGKHTUUSA-UHFFFAOYSA-N 1 0 373.460 4.003 40 0 FIABRO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(OC)cc3)o2)cc1 ZINC000007539354 263351849 /nfs/dbraw/zinc/35/18/49/263351849.db2.gz NIYOKIUKIJFJAD-UHFFFAOYSA-N 1 0 351.402 4.032 40 0 FIABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1)[C@H](O)c1ccccc1 ZINC000035539959 263398396 /nfs/dbraw/zinc/39/83/96/263398396.db2.gz VYSXKPWWGYKNEV-VVBPWWLESA-N 1 0 351.446 4.212 40 0 FIABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000038752850 263399134 /nfs/dbraw/zinc/39/91/34/263399134.db2.gz BCWBJXZIKLIVCW-ROUUACIJSA-N 1 0 366.505 4.418 40 0 FIABRO O=C(c1ccccc1F)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408610591 263480900 /nfs/dbraw/zinc/48/09/00/263480900.db2.gz QJSCEDSFNFDMKF-UHFFFAOYSA-N 1 0 366.480 4.344 40 0 FIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)CC1 ZINC000020489280 521021971 /nfs/dbraw/zinc/02/19/71/521021971.db2.gz JVZGCNSTICJMCL-UHFFFAOYSA-N 1 0 368.496 4.420 40 0 FIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCCc3ccccc3)cc2)CC1 ZINC000020110577 521022208 /nfs/dbraw/zinc/02/22/08/521022208.db2.gz CYXBCNQSFHOQON-UHFFFAOYSA-N 1 0 350.506 4.281 40 0 FIABRO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000020460917 521256506 /nfs/dbraw/zinc/25/65/06/521256506.db2.gz NXCAVYXXIWAXPQ-KRWDZBQOSA-N 1 0 352.478 4.172 40 0 FIABRO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc3ccccc3c2)nc1 ZINC000257257214 526813260 /nfs/dbraw/zinc/81/32/60/526813260.db2.gz KOOUVSDVHFMMER-HSZRJFAPSA-N 1 0 359.473 4.208 40 0 FIABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000215960429 568097665 /nfs/dbraw/zinc/09/76/65/568097665.db2.gz VRDZNDFQOOMGSS-WMZOPIPTSA-N 1 0 366.933 4.268 40 0 FIABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216166336 568109398 /nfs/dbraw/zinc/10/93/98/568109398.db2.gz HTGICZVNLJPYDU-PMACEKPBSA-N 1 0 360.542 4.232 40 0 FIABRO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000222836953 568570008 /nfs/dbraw/zinc/57/00/08/568570008.db2.gz SLLUMFKRDRJYQO-UHFFFAOYSA-N 1 0 368.496 4.175 40 0 FIABRO COC1(COc2ccc(C)cc2C)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000585274178 570487353 /nfs/dbraw/zinc/48/73/53/570487353.db2.gz TWZJAGOGMFXYEN-UHFFFAOYSA-N 1 0 355.478 4.069 40 0 FIABRO CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2C)[C@@H]1Cc1cccc(C)c1 ZINC000585286474 570494525 /nfs/dbraw/zinc/49/45/25/570494525.db2.gz RCLBTHLRWIHLGC-ZEQRLZLVSA-N 1 0 364.533 4.324 40 0 FIABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000044934104 570539238 /nfs/dbraw/zinc/53/92/38/570539238.db2.gz QOEGIPJGEUPJSC-QAPCUYQASA-N 1 0 358.432 4.054 40 0 FIABRO c1ccc(OCCCC[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369839 570546514 /nfs/dbraw/zinc/54/65/14/570546514.db2.gz UDJLTHMOZQFLQS-LJQANCHMSA-N 1 0 363.461 4.385 40 0 FIABRO c1ccc(OCCCC[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369840 570546627 /nfs/dbraw/zinc/54/66/27/570546627.db2.gz UDJLTHMOZQFLQS-IBGZPJMESA-N 1 0 363.461 4.385 40 0 FIABRO Cc1ccccc1OCCC[N@@H+]1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369841 570546736 /nfs/dbraw/zinc/54/67/36/570546736.db2.gz WPNXCZUFVJOKTE-IBGZPJMESA-N 1 0 363.461 4.303 40 0 FIABRO CC[NH+](CC)CCNC(=O)c1cnc(-c2ccccc2C)c2ccccc12 ZINC000004216669 570581399 /nfs/dbraw/zinc/58/13/99/570581399.db2.gz OIMMXIJXYSXFKM-UHFFFAOYSA-N 1 0 361.489 4.282 40 0 in-man FIABRO CCOC(=O)N1CC[NH+](CCCCCCOc2ccc(Cl)cc2)CC1 ZINC000004428367 570591104 /nfs/dbraw/zinc/59/11/04/570591104.db2.gz ZSARFQZWVAWCIR-UHFFFAOYSA-N 1 0 368.905 4.053 40 0 FIABRO CNC(=O)O[C@H]1CCC[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000005082900 570620911 /nfs/dbraw/zinc/62/09/11/570620911.db2.gz MTSKCWQNZUQOHN-SFTDATJTSA-N 1 0 352.478 4.356 40 0 FIABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260458090 570628574 /nfs/dbraw/zinc/62/85/74/570628574.db2.gz ZOILVCBJEPMWFW-CTNGQTDRSA-N 1 0 360.542 4.232 40 0 FIABRO CC(C)(CO)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000006883187 570655934 /nfs/dbraw/zinc/65/59/34/570655934.db2.gz KQPMUHGHKAKRDL-UHFFFAOYSA-N 1 0 354.277 4.433 40 0 FIABRO O=C(Cc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447663 570664259 /nfs/dbraw/zinc/66/42/59/570664259.db2.gz TZZJKHWELSZLBD-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO CC[NH+](CC)CCCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn21 ZINC000004969539 570675843 /nfs/dbraw/zinc/67/58/43/570675843.db2.gz LZTRIVPSCQFFFA-UHFFFAOYSA-N 1 0 351.498 4.157 40 0 FIABRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008326321 570680434 /nfs/dbraw/zinc/68/04/34/570680434.db2.gz QUCRVSIDRFHUSI-INIZCTEOSA-N 1 0 354.277 4.433 40 0 FIABRO O=C(NCCC[NH+]1CCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000010450010 570700920 /nfs/dbraw/zinc/70/09/20/570700920.db2.gz YUAOLYXUHDHFHX-UHFFFAOYSA-N 1 0 354.519 4.195 40 0 FIABRO Cc1nn2c(nc(C)cc2NCC(C)(C)C[NH+](C)C)c1-c1cccs1 ZINC000012113337 570718759 /nfs/dbraw/zinc/71/87/59/570718759.db2.gz SMKZPESXSCTOII-UHFFFAOYSA-N 1 0 357.527 4.074 40 0 FIABRO Cc1nn(C)cc1CN(Cc1ccc(F)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012186555 570724662 /nfs/dbraw/zinc/72/46/62/570724662.db2.gz FBFKYTDPCRPKRK-UHFFFAOYSA-N 1 0 372.532 4.179 40 0 FIABRO CC[NH+](CC)CCNc1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012274908 570731842 /nfs/dbraw/zinc/73/18/42/570731842.db2.gz QXSZPFQRIFTZDG-UHFFFAOYSA-N 1 0 359.524 4.082 40 0 FIABRO Fc1ccccc1C1([NH2+]Cc2cnc(N3CCCCC3)nc2)CCCC1 ZINC000012292998 570732802 /nfs/dbraw/zinc/73/28/02/570732802.db2.gz PAAODVFGBOAQPO-UHFFFAOYSA-N 1 0 354.473 4.165 40 0 FIABRO Fc1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]C[C@H]3CCCO3)c2)cc1 ZINC000012337329 570737893 /nfs/dbraw/zinc/73/78/93/570737893.db2.gz BDDZVFCGOFFZSL-OAQYLSRUSA-N 1 0 363.436 4.218 40 0 FIABRO CCCOc1c(C[NH+]2CCC(O)(c3cccc(C)c3)CC2)cccc1OC ZINC000012344799 570738244 /nfs/dbraw/zinc/73/82/44/570738244.db2.gz JPBPKOWDEYHTML-UHFFFAOYSA-N 1 0 369.505 4.276 40 0 FIABRO COc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000018177324 570876071 /nfs/dbraw/zinc/87/60/71/570876071.db2.gz HQXGTJHDWKFHRB-UHFFFAOYSA-N 1 0 353.466 4.003 40 0 FIABRO CCOC(=O)C1(c2ccccc2)CC[NH+](CCSc2ccccc2)CC1 ZINC000005315344 570956979 /nfs/dbraw/zinc/95/69/79/570956979.db2.gz PHBGXFFFCZHWKO-UHFFFAOYSA-N 1 0 369.530 4.376 40 0 FIABRO Cc1ccc(CSCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024189660 570972778 /nfs/dbraw/zinc/97/27/78/570972778.db2.gz CVWVDYTXVXVSBN-UHFFFAOYSA-N 1 0 368.546 4.140 40 0 FIABRO CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623828 570995288 /nfs/dbraw/zinc/99/52/88/570995288.db2.gz UVCJKRJZCJTMKE-OAQYLSRUSA-N 1 0 366.505 4.065 40 0 FIABRO CCc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224685033 570996992 /nfs/dbraw/zinc/99/69/92/570996992.db2.gz XZHJCFLJNIIHNE-UHFFFAOYSA-N 1 0 364.533 4.484 40 0 FIABRO Cc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000224802167 571001455 /nfs/dbraw/zinc/00/14/55/571001455.db2.gz LFWUMJJESROPEY-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224831506 571001765 /nfs/dbraw/zinc/00/17/65/571001765.db2.gz HTWMQSBBNZNNDY-IBGZPJMESA-N 1 0 366.505 4.065 40 0 FIABRO CCCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224831684 571001774 /nfs/dbraw/zinc/00/17/74/571001774.db2.gz RNVMUWDRYDRXKY-UHFFFAOYSA-N 1 0 366.505 4.391 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)c(Cl)c1 ZINC000225581654 571046994 /nfs/dbraw/zinc/04/69/94/571046994.db2.gz RWZGWUBTTZHENM-HNNXBMFYSA-N 1 0 369.962 4.290 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(OC(C)C)c1 ZINC000225583312 571047538 /nfs/dbraw/zinc/04/75/38/571047538.db2.gz LHZQJWWGHUWQHO-GOSISDBHSA-N 1 0 363.571 4.415 40 0 FIABRO Cc1ccc(SCCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000030555891 571048198 /nfs/dbraw/zinc/04/81/98/571048198.db2.gz RGYSTNMTVHUBRR-UHFFFAOYSA-N 1 0 368.546 4.389 40 0 FIABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000030756488 571049876 /nfs/dbraw/zinc/04/98/76/571049876.db2.gz CMEKZMQWLZGGFR-QGZVFWFLSA-N 1 0 352.478 4.172 40 0 FIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225619120 571050116 /nfs/dbraw/zinc/05/01/16/571050116.db2.gz IQCUPFJGFGEYCC-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCCCC1 ZINC000225669125 571054393 /nfs/dbraw/zinc/05/43/93/571054393.db2.gz WXPRUPRTMURQGM-QFIPXVFZSA-N 1 0 372.553 4.105 40 0 FIABRO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225672594 571054716 /nfs/dbraw/zinc/05/47/16/571054716.db2.gz WDMOMCRGJGTGSV-QFIPXVFZSA-N 1 0 374.525 4.085 40 0 FIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225693166 571056259 /nfs/dbraw/zinc/05/62/59/571056259.db2.gz XBFHFBZINLYXPF-OAQYLSRUSA-N 1 0 364.530 4.331 40 0 FIABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225730831 571059966 /nfs/dbraw/zinc/05/99/66/571059966.db2.gz NHNZBRNNZCAJTN-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030943638 571077553 /nfs/dbraw/zinc/07/75/53/571077553.db2.gz XEFRVLZQVPSNCK-KNQAVFIVSA-N 1 0 350.506 4.036 40 0 FIABRO Cc1nccn1C[C@H]1CCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000036752911 571081841 /nfs/dbraw/zinc/08/18/41/571081841.db2.gz DPBAZJNSGLGGGH-FQEVSTJZSA-N 1 0 352.526 4.094 40 0 FIABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000038832822 571086700 /nfs/dbraw/zinc/08/67/00/571086700.db2.gz DUJMFFOAICBBPW-APWZRJJASA-N 1 0 356.897 4.429 40 0 FIABRO CSc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038852537 571088131 /nfs/dbraw/zinc/08/81/31/571088131.db2.gz HUVHOCDQWLVISR-INIZCTEOSA-N 1 0 358.482 4.398 40 0 FIABRO CC(=O)Nc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000038857727 571088398 /nfs/dbraw/zinc/08/83/98/571088398.db2.gz KDIKCGDLFQIWJF-INIZCTEOSA-N 1 0 365.477 4.129 40 0 FIABRO CCOc1ccc2cc(-c3cnc(OCC4CC[NH2+]CC4)nc3)ccc2c1 ZINC000096675128 571098673 /nfs/dbraw/zinc/09/86/73/571098673.db2.gz GKBGCTMUMNEMPE-UHFFFAOYSA-N 1 0 363.461 4.074 40 0 FIABRO CC(C)(C)c1n[nH]cc1C[N@H+](CCCn1ccnc1)C[C@H]1CC=CCC1 ZINC000043277744 571100018 /nfs/dbraw/zinc/10/00/18/571100018.db2.gz BKDILGHEBIMTPO-SFHVURJKSA-N 1 0 355.530 4.152 40 0 FIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc3c(c2)CCO3)s1 ZINC000043277887 571100311 /nfs/dbraw/zinc/10/03/11/571100311.db2.gz WJKMIQVCWQDEJE-UHFFFAOYSA-N 1 0 367.518 4.280 40 0 FIABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000044850194 571103123 /nfs/dbraw/zinc/10/31/23/571103123.db2.gz FYWHOSCICHXZPT-OAQYLSRUSA-N 1 0 368.521 4.235 40 0 FIABRO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000049568613 571109659 /nfs/dbraw/zinc/10/96/59/571109659.db2.gz AUBASQUVLJYPAO-PMOQBDJRSA-N 1 0 374.528 4.151 40 0 FIABRO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057153387 571122380 /nfs/dbraw/zinc/12/23/80/571122380.db2.gz PXGABJLIJRHNTN-UHFFFAOYSA-N 1 0 363.505 4.138 40 0 FIABRO CCCC[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421337 571149579 /nfs/dbraw/zinc/14/95/79/571149579.db2.gz OOOZMIVCRTZYSK-HXUWFJFHSA-N 1 0 357.519 4.065 40 0 FIABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccco4)C3)cc(C(F)(F)F)n2n1 ZINC000072340866 571179356 /nfs/dbraw/zinc/17/93/56/571179356.db2.gz YNQLZQQNFWVGKI-CYBMUJFWSA-N 1 0 364.371 4.029 40 0 FIABRO COc1ccc(CN2C[C@H]3C[C@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000072342205 571179546 /nfs/dbraw/zinc/17/95/46/571179546.db2.gz POZRIAYNGJCFQS-YFVAEKQCSA-N 1 0 354.519 4.168 40 0 FIABRO Cc1cccc(C[N@H+]2CCC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)c1 ZINC000072353636 571181975 /nfs/dbraw/zinc/18/19/75/571181975.db2.gz HXRHBVIASYNZLG-HXUWFJFHSA-N 1 0 360.505 4.479 40 0 FIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4cccc(F)c4F)C3)n2)c1 ZINC000072369910 571185084 /nfs/dbraw/zinc/18/50/84/571185084.db2.gz IBXAHRCESNKRTF-HNNXBMFYSA-N 1 0 371.387 4.013 40 0 FIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)n2)c1 ZINC000072369868 571185126 /nfs/dbraw/zinc/18/51/26/571185126.db2.gz KGKMTLGAWLCIRV-INIZCTEOSA-N 1 0 369.852 4.388 40 0 FIABRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072376015 571185801 /nfs/dbraw/zinc/18/58/01/571185801.db2.gz BHRMZRRWBZAQCX-IBGZPJMESA-N 1 0 359.477 4.303 40 0 FIABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377409 571186196 /nfs/dbraw/zinc/18/61/96/571186196.db2.gz RDAYYTAVUGXJGW-KRWDZBQOSA-N 1 0 363.440 4.134 40 0 FIABRO c1cnc(Nc2nccc([C@@H]3CCCC[N@H+]3CC3CCCCC3)n2)cn1 ZINC000072377846 571186641 /nfs/dbraw/zinc/18/66/41/571186641.db2.gz ZYSNKGNXADZGTL-SFHVURJKSA-N 1 0 352.486 4.118 40 0 FIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000072379115 571187580 /nfs/dbraw/zinc/18/75/80/571187580.db2.gz FCOQPLNYJXWQSB-FQEVSTJZSA-N 1 0 362.477 4.175 40 0 FIABRO COc1ccc(C)cc1C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@H](c2cc[nH]n2)C1 ZINC000072395790 571190621 /nfs/dbraw/zinc/19/06/21/571190621.db2.gz WWWSRZPZPVSWII-VQTJNVASSA-N 1 0 365.452 4.249 40 0 FIABRO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC[C@H]21 ZINC000585107998 571225000 /nfs/dbraw/zinc/22/50/00/571225000.db2.gz SSSRNBUZKPXCEU-GSEOLPGOSA-N 1 0 360.929 4.022 40 0 FIABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)s1 ZINC000306125728 210049914 /nfs/dbraw/zinc/04/99/14/210049914.db2.gz DAASYGHBYCLAKL-IBGZPJMESA-N 1 0 371.531 4.156 40 0 FIABRO O=C(CCCOc1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224670982 222818423 /nfs/dbraw/zinc/81/84/23/222818423.db2.gz RRPQHRBXBFAKPT-UHFFFAOYSA-N 1 0 366.505 4.148 40 0 FIABRO C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224782921 222820226 /nfs/dbraw/zinc/82/02/26/222820226.db2.gz BDDPTHIMQUXZTB-INIZCTEOSA-N 1 0 372.896 4.020 40 0 FIABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000257200096 223015361 /nfs/dbraw/zinc/01/53/61/223015361.db2.gz ABYQQQSEZURJBS-CQSZACIVSA-N 1 0 357.523 4.120 40 0 FIABRO Fc1ccccc1C[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257200948 223017519 /nfs/dbraw/zinc/01/75/19/223017519.db2.gz AFLCEZZTBZYWNP-UHFFFAOYSA-N 1 0 363.440 4.134 40 0 FIABRO c1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccc5ccccc5n4)C3)n2)cc1 ZINC000257227419 223027929 /nfs/dbraw/zinc/02/79/29/223027929.db2.gz FPEIKVJKVGFXER-GOSISDBHSA-N 1 0 356.429 4.274 40 0 FIABRO COCCC(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257300994 223057612 /nfs/dbraw/zinc/05/76/12/223057612.db2.gz RWMBRMZUPVJMLS-MRXNPFEDSA-N 1 0 371.456 4.015 40 0 FIABRO Cc1c(C)n(CCC(=O)N2CCCCC[C@@H]3[NH2+]CC[C@@]32C)c2ccccc12 ZINC000257323655 223065908 /nfs/dbraw/zinc/06/59/08/223065908.db2.gz WLGSVEJFYUCHAT-GMAHTHKFSA-N 1 0 367.537 4.171 40 0 FIABRO C[NH+](C)CCSc1nc2cc3c(cc2cc1Cc1ccccc1)OCO3 ZINC000013483228 220069833 /nfs/dbraw/zinc/06/98/33/220069833.db2.gz PCZXSHRFWHRKTB-UHFFFAOYSA-N 1 0 366.486 4.208 40 0 FIABRO Cc1nn(C)c2nc(C3CC[NH+](Cc4cn(C)c5ccccc45)CC3)ccc12 ZINC000019744655 211253091 /nfs/dbraw/zinc/25/30/91/211253091.db2.gz XCBXOBAABLWMOZ-UHFFFAOYSA-N 1 0 373.504 4.148 40 0 FIABRO Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019692015 211245677 /nfs/dbraw/zinc/24/56/77/211245677.db2.gz KQVVQMUBCOIRKI-QFIPXVFZSA-N 1 0 364.468 4.191 40 0 FIABRO CC(C)(C[NH2+]C(C)(C)CO)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000019367531 211217548 /nfs/dbraw/zinc/21/75/48/211217548.db2.gz JHHSEALESJWYCK-FQEVSTJZSA-N 1 0 374.956 4.353 40 0 FIABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](Cc3ccccc3F)C2)on1 ZINC000019120800 211201129 /nfs/dbraw/zinc/20/11/29/211201129.db2.gz UFDRLUHGLYVDTL-AWEZNQCLSA-N 1 0 358.442 4.020 40 0 FIABRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000016385398 211161439 /nfs/dbraw/zinc/16/14/39/211161439.db2.gz KRINSLOBQAVRJL-UHFFFAOYSA-N 1 0 356.297 4.476 40 0 FIABRO CCOC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000013646757 211046911 /nfs/dbraw/zinc/04/69/11/211046911.db2.gz WOSZWSBBRMKXCA-UHFFFAOYSA-N 1 0 366.461 4.020 40 0 FIABRO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000013632428 211044589 /nfs/dbraw/zinc/04/45/89/211044589.db2.gz CTIBKPGHXMISSU-UHFFFAOYSA-N 1 0 366.461 4.020 40 0 FIABRO CCOc1cc(C[NH2+]CCOC)cc(Cl)c1OCc1ccccc1F ZINC000008254166 210776692 /nfs/dbraw/zinc/77/66/92/210776692.db2.gz NWYHSXHATRCQCN-UHFFFAOYSA-N 1 0 367.848 4.193 40 0 FIABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)n2)cc1 ZINC000257317766 533208329 /nfs/dbraw/zinc/20/83/29/533208329.db2.gz VLBBEDWWJSSPQP-OAHLLOKOSA-N 1 0 371.387 4.013 40 0 FIABRO C[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000072343205 221473591 /nfs/dbraw/zinc/47/35/91/221473591.db2.gz VYMNHOWTMIKDOZ-YHYVQYDKSA-N 1 0 354.538 4.197 40 0 FIABRO Cc1ccc(N2CCC[C@]3(CC[N@H+](Cc4ccc(Cl)c(F)c4)C3)C2)nn1 ZINC000096217069 132222561 /nfs/dbraw/zinc/22/25/61/132222561.db2.gz FAGRCVCRUZVKQK-HXUWFJFHSA-N 1 0 374.891 4.070 40 0 FIABRO COc1ccc(CC[NH2+]CC(=O)N2c3ccccc3[C@H](C)CC2(C)C)cc1 ZINC000004894677 132255534 /nfs/dbraw/zinc/25/55/34/132255534.db2.gz QUKFWESELZACCU-QGZVFWFLSA-N 1 0 366.505 4.146 40 0 FIABRO CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NCc2ccccc2)[nH+]1 ZINC000328984530 132371998 /nfs/dbraw/zinc/37/19/98/132371998.db2.gz HOTHITBGBHCAJH-KRWDZBQOSA-N 1 0 358.489 4.024 40 0 FIABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccoc1)CC2 ZINC000096052526 222002929 /nfs/dbraw/zinc/00/29/29/222002929.db2.gz CVRCGHPNJLUZKH-UHFFFAOYSA-N 1 0 372.468 4.360 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)s1 ZINC000096061437 222008429 /nfs/dbraw/zinc/00/84/29/222008429.db2.gz INCYDGYYPIGMQW-LJQANCHMSA-N 1 0 354.519 4.037 40 0 FIABRO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000096625980 222125973 /nfs/dbraw/zinc/12/59/73/222125973.db2.gz WYLLCAIEMHPCOT-UHFFFAOYSA-N 1 0 374.887 4.050 40 0 FIABRO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000039750995 263399184 /nfs/dbraw/zinc/39/91/84/263399184.db2.gz CRJKACFOUBSEIZ-UHFFFAOYSA-N 1 0 350.462 4.048 40 0 FIABRO CC(C)C(NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000039752886 263399459 /nfs/dbraw/zinc/39/94/59/263399459.db2.gz ZMNWKNPQKNODFJ-UHFFFAOYSA-N 1 0 350.934 4.349 40 0 FIABRO CCNc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000329043070 535523052 /nfs/dbraw/zinc/52/30/52/535523052.db2.gz SQQGPICZZVTASS-UHFFFAOYSA-N 1 0 373.298 4.111 40 0 FIABRO FC(F)(F)c1ccc(O[C@H]2COCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000085435948 560071616 /nfs/dbraw/zinc/07/16/16/560071616.db2.gz CREFGPYFGPENAA-GOSISDBHSA-N 1 0 357.416 4.365 40 0 biogenic,in-vitro FIABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000216345277 568118962 /nfs/dbraw/zinc/11/89/62/568118962.db2.gz GXMSGDIVFOOPDI-KRWDZBQOSA-N 1 0 354.947 4.203 40 0 FIABRO c1nc(Nc2cc(C[C@@H]3CCC[NH2+]CC3)ncn2)sc1-c1ccccc1 ZINC000585263459 570481899 /nfs/dbraw/zinc/48/18/99/570481899.db2.gz ZSVJHJNQIXYVPK-OAHLLOKOSA-N 1 0 365.506 4.276 40 0 FIABRO c1nc(Nc2cc(C[C@H]3CCC[NH2+]CC3)ncn2)sc1-c1ccccc1 ZINC000585263458 570481940 /nfs/dbraw/zinc/48/19/40/570481940.db2.gz ZSVJHJNQIXYVPK-HNNXBMFYSA-N 1 0 365.506 4.276 40 0 FIABRO CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1Cc1cccc(Cl)c1 ZINC000585286324 570494483 /nfs/dbraw/zinc/49/44/83/570494483.db2.gz PUNRXXQTEWZBEB-SFTDATJTSA-N 1 0 374.887 4.191 40 0 FIABRO Cc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585290579 570495963 /nfs/dbraw/zinc/49/59/63/570495963.db2.gz YOKCSYCWZVFZGU-PWRODBHTSA-N 1 0 359.897 4.142 40 0 FIABRO CC[C@H](OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000004264067 570582193 /nfs/dbraw/zinc/58/21/93/570582193.db2.gz GUYVJQTTYAHQEU-RPWUZVMVSA-N 1 0 367.533 4.470 40 0 FIABRO C[NH+](C)CCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)n1 ZINC000242965146 570609887 /nfs/dbraw/zinc/60/98/87/570609887.db2.gz HLENVVMPWICUCE-UHFFFAOYSA-N 1 0 369.419 4.139 40 0 FIABRO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)C[NH+]1CCCCC1 ZINC000004900322 570612738 /nfs/dbraw/zinc/61/27/38/570612738.db2.gz YNUQPGKCYNHIBB-DFWAIWNTSA-N 1 0 369.549 4.465 40 0 FIABRO CNC(=O)O[C@H]1CCC[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000005082904 570620743 /nfs/dbraw/zinc/62/07/43/570620743.db2.gz MTSKCWQNZUQOHN-RTWAWAEBSA-N 1 0 352.478 4.356 40 0 FIABRO COC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000257212756 570627150 /nfs/dbraw/zinc/62/71/50/570627150.db2.gz CEUSZVGPMBVMKL-UHFFFAOYSA-N 1 0 361.869 4.106 40 0 FIABRO O=C(COc1ccccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447858 570664525 /nfs/dbraw/zinc/66/45/25/570664525.db2.gz ZGXPXSWYYRUQTH-UHFFFAOYSA-N 1 0 372.896 4.021 40 0 FIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)c1ccc(F)cc1 ZINC000004888079 570672495 /nfs/dbraw/zinc/67/24/95/570672495.db2.gz RRSFVFFQHQIZOJ-AYHJJNSGSA-N 1 0 358.482 4.203 40 0 FIABRO S=c1n(CN2CCCC2)nc(-c2ccccc2)n1Cc1ccccc1 ZINC000408723747 570677334 /nfs/dbraw/zinc/67/73/34/570677334.db2.gz IOHAMHCPTQSTFY-UHFFFAOYSA-N 1 0 350.491 4.183 40 0 FIABRO CCOc1c(Br)cc(Br)cc1C[NH2+]CC(C)C ZINC000008253305 570679012 /nfs/dbraw/zinc/67/90/12/570679012.db2.gz DXVKCJUHDPTSEE-UHFFFAOYSA-N 1 0 365.109 4.356 40 0 FIABRO Cc1nn(C)cc1CN(Cc1ccccc1F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012186565 570724967 /nfs/dbraw/zinc/72/49/67/570724967.db2.gz NZPULZKLHXBNKU-UHFFFAOYSA-N 1 0 372.532 4.179 40 0 FIABRO COc1ccc(C2([NH2+]Cc3ccccc3OCc3ccccn3)CC2)cc1 ZINC000012238643 570730533 /nfs/dbraw/zinc/73/05/33/570730533.db2.gz CJESRLQIWCZIHT-UHFFFAOYSA-N 1 0 360.457 4.448 40 0 FIABRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OC)c(OCCOC)c1 ZINC000012241225 570731002 /nfs/dbraw/zinc/73/10/02/570731002.db2.gz QRVYKBPVWIKCML-QGZVFWFLSA-N 1 0 361.507 4.291 40 0 FIABRO CC[N@@H+]1CCC[C@@H]1CNc1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012275074 570731944 /nfs/dbraw/zinc/73/19/44/570731944.db2.gz IFQPSCHGVVMSGT-CYBMUJFWSA-N 1 0 371.535 4.225 40 0 FIABRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC000012365438 570739186 /nfs/dbraw/zinc/73/91/86/570739186.db2.gz SGHMKUYXKPWNIZ-JKSUJKDBSA-N 1 0 370.497 4.464 40 0 FIABRO Clc1cccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c1 ZINC000012668454 570756235 /nfs/dbraw/zinc/75/62/35/570756235.db2.gz QRXMBPPCURPDJO-UHFFFAOYSA-N 1 0 354.841 4.165 40 0 FIABRO COCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008469056 570795988 /nfs/dbraw/zinc/79/59/88/570795988.db2.gz JTTYSSNZMCZZGH-UHFFFAOYSA-N 1 0 370.276 4.317 40 0 FIABRO COCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008469135 570796030 /nfs/dbraw/zinc/79/60/30/570796030.db2.gz MANSUGRTYMACPK-UHFFFAOYSA-N 1 0 370.276 4.317 40 0 FIABRO COc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000018177368 570876192 /nfs/dbraw/zinc/87/61/92/570876192.db2.gz OLRUNNFGHVYNMB-UHFFFAOYSA-N 1 0 353.466 4.003 40 0 FIABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(C(C)(C)C)CC3)ccc21 ZINC000019498880 570890605 /nfs/dbraw/zinc/89/06/05/570890605.db2.gz GZXCGAZOPVDIBN-OAQYLSRUSA-N 1 0 372.553 4.167 40 0 FIABRO CCOc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000223931960 570972323 /nfs/dbraw/zinc/97/23/23/570972323.db2.gz QHSWEHKCAVXAEH-UHFFFAOYSA-N 1 0 368.477 4.119 40 0 FIABRO Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000024181948 570972656 /nfs/dbraw/zinc/97/26/56/570972656.db2.gz FQBWPNJHFQFFTP-LJQANCHMSA-N 1 0 366.505 4.065 40 0 FIABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC)c(C)c1 ZINC000224334880 570985323 /nfs/dbraw/zinc/98/53/23/570985323.db2.gz XZZYLFWPYNUWPN-NRFANRHFSA-N 1 0 366.505 4.481 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000224526839 570992102 /nfs/dbraw/zinc/99/21/02/570992102.db2.gz NSVSTAKGKFBFMN-IBGZPJMESA-N 1 0 350.506 4.127 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)c1 ZINC000224528805 570992247 /nfs/dbraw/zinc/99/22/47/570992247.db2.gz WDDFGBUICYWDOO-LJQANCHMSA-N 1 0 350.506 4.127 40 0 FIABRO O=C(CCSc1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645753 570996025 /nfs/dbraw/zinc/99/60/25/570996025.db2.gz ARNVMEUSBJVTSI-UHFFFAOYSA-N 1 0 368.546 4.471 40 0 FIABRO C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645555 570996158 /nfs/dbraw/zinc/99/61/58/570996158.db2.gz FRPQJQJQLNSMAO-GOSISDBHSA-N 1 0 368.546 4.470 40 0 FIABRO O=C(Cc1ccc(Cl)cc1F)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224699191 570997865 /nfs/dbraw/zinc/99/78/65/570997865.db2.gz PJSPKJUMABVHAX-UHFFFAOYSA-N 1 0 374.887 4.324 40 0 FIABRO Cc1ccc(C)c(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224835756 571001745 /nfs/dbraw/zinc/00/17/45/571001745.db2.gz PTZHNVRLLJWCGV-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO Nc1ccc2c(c1)C(NCCc1ccc(Oc3ccccc3)cc1)=[NH+]CN2 ZINC000027645180 571016595 /nfs/dbraw/zinc/01/65/95/571016595.db2.gz GGBVTWRQPMDRCK-UHFFFAOYSA-N 1 0 358.445 4.023 40 0 in-vitro FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC(C)C)cc1 ZINC000225583267 571047574 /nfs/dbraw/zinc/04/75/74/571047574.db2.gz BLRHSACWFSVAON-SFHVURJKSA-N 1 0 363.571 4.415 40 0 FIABRO O=C(CCCOc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030551698 571048170 /nfs/dbraw/zinc/04/81/70/571048170.db2.gz SCKKKTSVMMZHGC-UHFFFAOYSA-N 1 0 366.505 4.148 40 0 FIABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225603065 571048987 /nfs/dbraw/zinc/04/89/87/571048987.db2.gz YHIMEIWZTBNRQX-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1 ZINC000225628667 571050723 /nfs/dbraw/zinc/05/07/23/571050723.db2.gz KXCMXQPZDRILDA-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225650900 571052721 /nfs/dbraw/zinc/05/27/21/571052721.db2.gz MYPPCHWRKZQSFI-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030943781 571052889 /nfs/dbraw/zinc/05/28/89/571052889.db2.gz OZLOTUGVWUREQQ-WIYYLYMNSA-N 1 0 368.496 4.175 40 0 FIABRO CC(C)c1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032463193 571058282 /nfs/dbraw/zinc/05/82/82/571058282.db2.gz HHBHTEVNOSPZKP-UHFFFAOYSA-N 1 0 366.505 4.101 40 0 FIABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225714748 571058420 /nfs/dbraw/zinc/05/84/20/571058420.db2.gz DKEJASXHTQGJHX-AVRDEDQJSA-N 1 0 374.525 4.085 40 0 FIABRO CCOc1ccc2c(c1)OC1(CC[NH+](Cc3ccccc3)CC1)CC2=O ZINC000225820442 571070295 /nfs/dbraw/zinc/07/02/95/571070295.db2.gz BVNXJSUHXBKODC-UHFFFAOYSA-N 1 0 351.446 4.085 40 0 FIABRO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCC2)c1 ZINC000035290354 571076359 /nfs/dbraw/zinc/07/63/59/571076359.db2.gz XZBXXWDSLSEQTN-VCSGRIEYSA-N 1 0 369.509 4.339 40 0 FIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1)c1ccccc1F ZINC000035289775 571076499 /nfs/dbraw/zinc/07/64/99/571076499.db2.gz UOZHKRXQVIKEEN-YQQQUEKLSA-N 1 0 370.443 4.280 40 0 FIABRO O=C(Nc1ccc2sncc2c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901226 571078872 /nfs/dbraw/zinc/07/88/72/571078872.db2.gz MSCCLSBGKPKVPH-INIZCTEOSA-N 1 0 351.475 4.147 40 0 FIABRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000225904771 571078908 /nfs/dbraw/zinc/07/89/08/571078908.db2.gz UBXGEPXOEDKQQA-INIZCTEOSA-N 1 0 360.860 4.354 40 0 FIABRO COCc1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000036740509 571081411 /nfs/dbraw/zinc/08/14/11/571081411.db2.gz QKXHJJNDAVQQSU-UHFFFAOYSA-N 1 0 371.525 4.132 40 0 FIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2c[nH]nc2C(C)(C)C)s1 ZINC000036740433 571081455 /nfs/dbraw/zinc/08/14/55/571081455.db2.gz IRDBOLWRSQMFIA-UHFFFAOYSA-N 1 0 371.554 4.366 40 0 FIABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000038754732 571085866 /nfs/dbraw/zinc/08/58/66/571085866.db2.gz IDHWMBRIRKGTKR-JOCHJYFZSA-N 1 0 368.521 4.235 40 0 FIABRO COc1ccc(OC)c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000038834796 571087259 /nfs/dbraw/zinc/08/72/59/571087259.db2.gz RYIZGYAXOKEWAF-UHFFFAOYSA-N 1 0 368.477 4.188 40 0 FIABRO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038848759 571087753 /nfs/dbraw/zinc/08/77/53/571087753.db2.gz VXWVXZODTYMPHI-LJQANCHMSA-N 1 0 356.897 4.177 40 0 FIABRO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848603 571087774 /nfs/dbraw/zinc/08/77/74/571087774.db2.gz WCMMBMMICGFYIJ-KRWDZBQOSA-N 1 0 360.860 4.008 40 0 FIABRO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000044912272 571104895 /nfs/dbraw/zinc/10/48/95/571104895.db2.gz PARZGMHKKNMGQV-LJQANCHMSA-N 1 0 356.897 4.177 40 0 FIABRO CO[C@@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260816799 571123569 /nfs/dbraw/zinc/12/35/69/571123569.db2.gz QMDOHFNVBHNKGH-VGOFRKELSA-N 1 0 374.525 4.084 40 0 FIABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000072345890 571179791 /nfs/dbraw/zinc/17/97/91/571179791.db2.gz DYPTUQCNANBWDK-LJQANCHMSA-N 1 0 374.488 4.114 40 0 FIABRO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348953 571180547 /nfs/dbraw/zinc/18/05/47/571180547.db2.gz MHZQGIQQICLSKY-HXUWFJFHSA-N 1 0 373.500 4.456 40 0 FIABRO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072350278 571181621 /nfs/dbraw/zinc/18/16/21/571181621.db2.gz DYKMXGWQVCSVKC-GOSISDBHSA-N 1 0 364.468 4.484 40 0 FIABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072350489 571181676 /nfs/dbraw/zinc/18/16/76/571181676.db2.gz SBLYEULJBGYGKP-IBGZPJMESA-N 1 0 361.493 4.165 40 0 FIABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072359237 571183860 /nfs/dbraw/zinc/18/38/60/571183860.db2.gz VDUNHAFDDOEFLF-SFHVURJKSA-N 1 0 365.456 4.262 40 0 FIABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000072369945 571185055 /nfs/dbraw/zinc/18/50/55/571185055.db2.gz UOYANZAEXYWYSI-OAHLLOKOSA-N 1 0 355.388 4.313 40 0 FIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)n2)c1 ZINC000072369901 571185137 /nfs/dbraw/zinc/18/51/37/571185137.db2.gz RSCNCQYPRAZJBD-OAHLLOKOSA-N 1 0 371.387 4.013 40 0 FIABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000072375919 571185775 /nfs/dbraw/zinc/18/57/75/571185775.db2.gz IKOSIOOAZLPIIL-QGZVFWFLSA-N 1 0 363.440 4.134 40 0 FIABRO CCc1nccn1-c1cccc(C2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000072378646 571186951 /nfs/dbraw/zinc/18/69/51/571186951.db2.gz ITUUNKHKYCIFPH-UHFFFAOYSA-N 1 0 364.468 4.348 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSc3ccccc3)CC2)cc1 ZINC000009063110 571302531 /nfs/dbraw/zinc/30/25/31/571302531.db2.gz CYVBPRZHPWVIEN-UHFFFAOYSA-N 1 0 368.546 4.116 40 0 FIABRO CC(C)n1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3C)c2ccc(F)cc21 ZINC000019713831 571304810 /nfs/dbraw/zinc/30/48/10/571304810.db2.gz ILTPHUUTLKJLDJ-VQTJNVASSA-N 1 0 371.500 4.337 40 0 FIABRO CCC(=O)N(c1ccccc1F)C1CC[NH+](CCc2ccccc2)CC1 ZINC000575440648 1107954126 /nfs/dbraw/zinc/95/41/26/1107954126.db2.gz BKUWDIVZCJNXRA-UHFFFAOYSA-N 1 0 354.469 4.276 40 0 in-vitro FIABRO Cc1ccc(CN2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](C)CC3)C2)s1 ZINC000306143346 210057050 /nfs/dbraw/zinc/05/70/50/210057050.db2.gz XZWAEMKINJUHQX-UHFFFAOYSA-N 1 0 372.582 4.122 40 0 FIABRO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccs4)C2)OC3)c1 ZINC000306143208 210057092 /nfs/dbraw/zinc/05/70/92/210057092.db2.gz XWJYUFVRTKFMEG-NRFANRHFSA-N 1 0 365.502 4.095 40 0 FIABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000040373053 210045384 /nfs/dbraw/zinc/04/53/84/210045384.db2.gz ZANHFFQEVFCQHR-JTAQYXEDSA-N 1 0 367.533 4.174 40 0 FIABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000040373287 210043783 /nfs/dbraw/zinc/04/37/83/210043783.db2.gz OQLJSNIIWHCTRD-IBGZPJMESA-N 1 0 365.558 4.371 40 0 FIABRO CCC[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000226774396 222887988 /nfs/dbraw/zinc/88/79/88/222887988.db2.gz XEZPPEPJRCQGOV-UHFFFAOYSA-N 1 0 351.655 4.343 40 0 FIABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2cc3ccccc3s2)n1 ZINC000257317380 223063519 /nfs/dbraw/zinc/06/35/19/223063519.db2.gz VJNSMWPBCQMHRP-GOSISDBHSA-N 1 0 352.507 4.090 40 0 FIABRO Fc1ccccc1Cc1cnc([C@H]2CCC[N@H+](CC3CCOCC3)C2)o1 ZINC000257341294 223072259 /nfs/dbraw/zinc/07/22/59/223072259.db2.gz ZJTDVGPWDZESAK-SFHVURJKSA-N 1 0 358.457 4.011 40 0 FIABRO Cc1cc(N2CC3(CCCCC3)OC2=O)nc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257344708 223073355 /nfs/dbraw/zinc/07/33/55/223073355.db2.gz ZYJIETPIDRLOKI-UHFFFAOYSA-N 1 0 372.513 4.032 40 0 FIABRO Cc1cc(C)c(CN2CCO[C@]3(CCCC[C@H]3[NH+]3CCCC3)C2)cc1C ZINC000306136510 223112200 /nfs/dbraw/zinc/11/22/00/223112200.db2.gz PVQOTSXUDFCBDQ-DHIUTWEWSA-N 1 0 356.554 4.221 40 0 FIABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306136673 223112246 /nfs/dbraw/zinc/11/22/46/223112246.db2.gz PZUIYQKKGIDINW-NRFANRHFSA-N 1 0 365.502 4.095 40 0 FIABRO FC(F)(F)c1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000061247053 212023588 /nfs/dbraw/zinc/02/35/88/212023588.db2.gz XTOPISZHBBDTLS-UHFFFAOYSA-N 1 0 359.461 4.258 40 0 FIABRO C[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000060561677 212022129 /nfs/dbraw/zinc/02/21/29/212022129.db2.gz HNFZVJVFWIAIJO-CQSZACIVSA-N 1 0 357.325 4.164 40 0 FIABRO C[C@H](Sc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873334 211802995 /nfs/dbraw/zinc/80/29/95/211802995.db2.gz NODZEUJMQQEDPW-SFHVURJKSA-N 1 0 368.546 4.470 40 0 FIABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000022075080 211336216 /nfs/dbraw/zinc/33/62/16/211336216.db2.gz QYURARINJHLONL-NRFANRHFSA-N 1 0 363.457 4.097 40 0 FIABRO C[NH+](C)CCN(Cc1cccnc1)CC1(c2ccc(F)cc2)CCCC1 ZINC000019582632 211238914 /nfs/dbraw/zinc/23/89/14/211238914.db2.gz FCPZCUQZWDDXOZ-UHFFFAOYSA-N 1 0 355.501 4.096 40 0 FIABRO Cc1nc2ccc(Cl)cn2c1CN[C@H](CC[NH+](C)C)c1ccccc1 ZINC000019715705 211249305 /nfs/dbraw/zinc/24/93/05/211249305.db2.gz AWQUQSWBYHADRD-GOSISDBHSA-N 1 0 356.901 4.079 40 0 FIABRO COc1cc2c(cc1OC)[C@H](Cc1ccccc1)[NH2+][C@H](c1ccccn1)C2 ZINC000019550737 211229503 /nfs/dbraw/zinc/22/95/03/211229503.db2.gz KFNAOUQZUDFIIK-SFTDATJTSA-N 1 0 360.457 4.270 40 0 FIABRO Clc1ccccc1C[NH+]1CCC(c2nnc(-c3cccnc3)o2)CC1 ZINC000019348917 211217300 /nfs/dbraw/zinc/21/73/00/211217300.db2.gz RIFCQVQJPXDULH-UHFFFAOYSA-N 1 0 354.841 4.165 40 0 FIABRO c1cncc(-c2nnc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)o2)c1 ZINC000019347005 211217277 /nfs/dbraw/zinc/21/72/77/211217277.db2.gz CFEQCJGIQVJLIY-UHFFFAOYSA-N 1 0 371.444 4.059 40 0 FIABRO Clc1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000019335646 211216063 /nfs/dbraw/zinc/21/60/63/211216063.db2.gz FMMNBAMVBVNZET-HNNXBMFYSA-N 1 0 365.868 4.403 40 0 FIABRO CNc1cc([C@H]2CCC[N@H+](Cc3cccc(C)c3)C2)nc(-c2cccnc2)n1 ZINC000019234980 211208742 /nfs/dbraw/zinc/20/87/42/211208742.db2.gz WGJHTUZEMVLXOF-FQEVSTJZSA-N 1 0 373.504 4.268 40 0 FIABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc3nccnc3c2)nc1 ZINC000019215526 211207689 /nfs/dbraw/zinc/20/76/89/211207689.db2.gz SPTOQUVFAHWZPY-OAQYLSRUSA-N 1 0 360.486 4.468 40 0 FIABRO CC(C)n1c(CN(CCC[NH+](C)C)Cc2ccco2)nc2ccccc21 ZINC000013992889 211067835 /nfs/dbraw/zinc/06/78/35/211067835.db2.gz XIIUEXFIWBTRLY-UHFFFAOYSA-N 1 0 354.498 4.164 40 0 FIABRO CC[C@@]1(C[NH+]2CCCCC2)COc2c(Br)cc(C)cc2C1=O ZINC000005469165 210621876 /nfs/dbraw/zinc/62/18/76/210621876.db2.gz UEIBHXXTWOQDDB-GOSISDBHSA-N 1 0 366.299 4.215 40 0 FIABRO CCC(=O)N(CCC[NH+](C)C)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004214927 210516585 /nfs/dbraw/zinc/51/65/85/210516585.db2.gz IIPCEJKGOPTEBZ-UHFFFAOYSA-N 1 0 351.903 4.158 40 0 FIABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](CC4CCCCC4)C3)o2)cc1 ZINC000049170194 221020830 /nfs/dbraw/zinc/02/08/30/221020830.db2.gz QOYXDWGHTCQSSH-SFHVURJKSA-N 1 0 354.498 4.172 40 0 biogenic,in-vitro FIABRO Fc1ccc([C@@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]2c2cc[nH]n2)cc1 ZINC000057773942 221092842 /nfs/dbraw/zinc/09/28/42/221092842.db2.gz WHXMFXSCHZCNKJ-DLBZAZTESA-N 1 0 357.379 4.210 40 0 FIABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2ccccc2Cl)OC3)cc1 ZINC000096112932 222031667 /nfs/dbraw/zinc/03/16/67/222031667.db2.gz JWBMHUVHUGUTBI-KRWDZBQOSA-N 1 0 371.843 4.031 40 0 biogenic,in-vitro FIABRO c1ccc(-c2ccc3nc(C4CC[NH+](Cc5ccncc5)CC4)nn3c2)cc1 ZINC000096038178 221994061 /nfs/dbraw/zinc/99/40/61/221994061.db2.gz JIJQLFRGCAMVHN-UHFFFAOYSA-N 1 0 369.472 4.171 40 0 FIABRO c1ccc(CC[N@@H+]2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257267867 534486833 /nfs/dbraw/zinc/48/68/33/534486833.db2.gz MJDFDNJGCMTHNT-IBGZPJMESA-N 1 0 359.477 4.037 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000020451468 523020554 /nfs/dbraw/zinc/02/05/54/523020554.db2.gz YAWARCUBOVDMAF-UXHICEINSA-N 1 0 360.542 4.150 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000020451466 523166472 /nfs/dbraw/zinc/16/64/72/523166472.db2.gz YAWARCUBOVDMAF-WOJBJXKFSA-N 1 0 360.542 4.150 40 0 FIABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306136674 534711119 /nfs/dbraw/zinc/71/11/19/534711119.db2.gz PZUIYQKKGIDINW-OAQYLSRUSA-N 1 0 365.502 4.095 40 0 FIABRO CCC(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)[nH+]2)C1 ZINC000257217594 528316170 /nfs/dbraw/zinc/31/61/70/528316170.db2.gz CZQPNSGUSHGNEK-INIZCTEOSA-N 1 0 353.466 4.258 40 0 FIABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000215956088 568097487 /nfs/dbraw/zinc/09/74/87/568097487.db2.gz ONESPQPJKIGFOC-HKUYNNGSSA-N 1 0 366.933 4.268 40 0 FIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1c(F)cccc1Cl ZINC000022931753 568314528 /nfs/dbraw/zinc/31/45/28/568314528.db2.gz MNPWXGVEGNCOQS-QGZVFWFLSA-N 1 0 361.892 4.361 40 0 FIABRO c1nc(Nc2cccc(C[C@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585262995 570481920 /nfs/dbraw/zinc/48/19/20/570481920.db2.gz HCEHMSAEKRHLHG-OAHLLOKOSA-N 1 0 350.491 4.491 40 0 FIABRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H]1Cc1ccc(F)cc1 ZINC000585269216 570484173 /nfs/dbraw/zinc/48/41/73/570484173.db2.gz LXADPFJLQZMUIO-SFTDATJTSA-N 1 0 374.887 4.191 40 0 FIABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000585288436 570496599 /nfs/dbraw/zinc/49/65/99/570496599.db2.gz AINSRMMTNGQOFO-IPMKNSEASA-N 1 0 366.288 4.444 40 0 FIABRO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004685750 570600631 /nfs/dbraw/zinc/60/06/31/570600631.db2.gz GYMULKBMDCZDSX-CDNPAEQRSA-N 1 0 360.501 4.300 40 0 FIABRO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC000004886485 570612298 /nfs/dbraw/zinc/61/22/98/570612298.db2.gz HNPUALMQCXXDTF-AYHJJNSGSA-N 1 0 359.514 4.248 40 0 FIABRO CC[NH+](CC)CCOC(=O)[C@](O)(C1CCCCC1)C1CCC(C)CC1 ZINC000005047923 570619159 /nfs/dbraw/zinc/61/91/59/570619159.db2.gz UGBFKDFUCIJCEJ-XTXLOEGASA-N 1 0 353.547 4.009 40 0 FIABRO O=C(COc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447671 570664242 /nfs/dbraw/zinc/66/42/42/570664242.db2.gz MJOAFDAOKGIDNA-UHFFFAOYSA-N 1 0 372.896 4.021 40 0 FIABRO CCOCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008253177 570679116 /nfs/dbraw/zinc/67/91/16/570679116.db2.gz UXOQDUXLEXAZSH-UHFFFAOYSA-N 1 0 363.885 4.444 40 0 FIABRO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1c(Cl)cccc1Cl ZINC000008535073 570682914 /nfs/dbraw/zinc/68/29/14/570682914.db2.gz KEGOPWOVZWKHDK-GFCCVEGCSA-N 1 0 370.276 4.051 40 0 FIABRO C[N@@H+]1CCC[C@H](CNC(=S)Nc2ccc(Nc3ccccc3)cc2)C1 ZINC000009876317 570697010 /nfs/dbraw/zinc/69/70/10/570697010.db2.gz NIXCRBRFYJQIAS-MRXNPFEDSA-N 1 0 354.523 4.058 40 0 FIABRO COCCn1cc(C[N@H+](C)Cc2cccc3ncccc23)c2ccccc21 ZINC000012148197 570723263 /nfs/dbraw/zinc/72/32/63/570723263.db2.gz VUDPTRSVPLJAIE-UHFFFAOYSA-N 1 0 359.473 4.468 40 0 FIABRO CC(C)Oc1cccc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)c1 ZINC000012220301 570728527 /nfs/dbraw/zinc/72/85/27/570728527.db2.gz MNQZWVZRFAWINM-UHFFFAOYSA-N 1 0 350.466 4.125 40 0 FIABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012227191 570729958 /nfs/dbraw/zinc/72/99/58/570729958.db2.gz SRXFMZPEYZDFJX-IYBDPMFKSA-N 1 0 370.497 4.321 40 0 FIABRO C[C@H]1CCC[N@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012228293 570730074 /nfs/dbraw/zinc/73/00/74/570730074.db2.gz ZXTPURZDVBCULL-HNNXBMFYSA-N 1 0 356.470 4.075 40 0 FIABRO Cc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000012292307 570732346 /nfs/dbraw/zinc/73/23/46/570732346.db2.gz OBPJSNXQYFOVPB-QHCPKHFHSA-N 1 0 361.485 4.165 40 0 FIABRO COc1c(C)cccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012329088 570737352 /nfs/dbraw/zinc/73/73/52/570737352.db2.gz GMYNYNIVJRHIRL-RLAPIPATSA-N 1 0 355.453 4.157 40 0 FIABRO Cc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000013675122 570784146 /nfs/dbraw/zinc/78/41/46/570784146.db2.gz QZJXZXADVDXCOS-UHFFFAOYSA-N 1 0 350.506 4.344 40 0 FIABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1 ZINC000017074066 570869361 /nfs/dbraw/zinc/86/93/61/570869361.db2.gz OFHMWSRMXAHTHC-UHFFFAOYSA-N 1 0 359.267 4.297 40 0 FIABRO CC(=O)[C@H]1[C@H]([NH+](C)C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917577 570870618 /nfs/dbraw/zinc/87/06/18/570870618.db2.gz KIIFJDKQTHOFGN-LXGBQXIBSA-N 1 0 359.554 4.055 40 0 FIABRO C[N@H+]1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C[C@@H]1CC2 ZINC000004016847 570892654 /nfs/dbraw/zinc/89/26/54/570892654.db2.gz QNDXPYLMSWGOGQ-RTWAWAEBSA-N 1 0 364.464 4.261 40 0 FIABRO Cc1cc(C)n(C2CC[NH+](Cc3ccccc3N3CCCCC3)CC2)n1 ZINC000019658686 570896763 /nfs/dbraw/zinc/89/67/63/570896763.db2.gz SPYQJGWIPDABSE-UHFFFAOYSA-N 1 0 352.526 4.327 40 0 FIABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1Cl ZINC000224699623 570997894 /nfs/dbraw/zinc/99/78/94/570997894.db2.gz DEFDVGWHSFWIOF-UHFFFAOYSA-N 1 0 372.896 4.265 40 0 FIABRO O=C(CCc1ccccc1F)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224700489 570997949 /nfs/dbraw/zinc/99/79/49/570997949.db2.gz HAWZBRPZGNAAFV-UHFFFAOYSA-N 1 0 354.469 4.061 40 0 FIABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000224949895 571006787 /nfs/dbraw/zinc/00/67/87/571006787.db2.gz VPAQHCVVDPKUKC-IBGZPJMESA-N 1 0 360.542 4.268 40 0 FIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000224977604 571008378 /nfs/dbraw/zinc/00/83/78/571008378.db2.gz CUOJYPZDGLTVDO-WOJBJXKFSA-N 1 0 364.533 4.380 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000039759781 571026110 /nfs/dbraw/zinc/02/61/10/571026110.db2.gz OTGJLUPWMWJVGZ-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO C[C@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000225338141 571029343 /nfs/dbraw/zinc/02/93/43/571029343.db2.gz BLIOYJIYGRAGJC-AWEZNQCLSA-N 1 0 357.325 4.164 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000225582016 571047060 /nfs/dbraw/zinc/04/70/60/571047060.db2.gz GRQMZNBOOJUKJG-CQSZACIVSA-N 1 0 357.926 4.420 40 0 FIABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000225628731 571050753 /nfs/dbraw/zinc/05/07/53/571050753.db2.gz WZMMNHGTRLDCQN-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCc3ccccc3)cc2)C1 ZINC000030851861 571050933 /nfs/dbraw/zinc/05/09/33/571050933.db2.gz CRORYQMWDUJTGR-LJQANCHMSA-N 1 0 350.506 4.281 40 0 FIABRO CO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225636208 571051639 /nfs/dbraw/zinc/05/16/39/571051639.db2.gz TXRGIEXBGRNBBS-XMSQKQJNSA-N 1 0 374.525 4.085 40 0 FIABRO CSc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030938075 571052632 /nfs/dbraw/zinc/05/26/32/571052632.db2.gz XYGOVBFAQAYTLB-MRXNPFEDSA-N 1 0 358.482 4.398 40 0 FIABRO O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030938341 571052640 /nfs/dbraw/zinc/05/26/40/571052640.db2.gz OMUZMDCJOALRNY-CQSZACIVSA-N 1 0 364.823 4.469 40 0 FIABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCCc2ccccc21 ZINC000030946778 571053501 /nfs/dbraw/zinc/05/35/01/571053501.db2.gz SSWSQGVQTKSPIH-LJQANCHMSA-N 1 0 352.453 4.017 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCCCC1 ZINC000225708982 571057992 /nfs/dbraw/zinc/05/79/92/571057992.db2.gz GLVCJTVBVWBNIX-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225798980 571067210 /nfs/dbraw/zinc/06/72/10/571067210.db2.gz ACPHXIRPBSQXKX-QZTJIDSGSA-N 1 0 366.505 4.418 40 0 FIABRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cc(C)ccc2C)cc1OC ZINC000036734414 571081435 /nfs/dbraw/zinc/08/14/35/571081435.db2.gz QFYQFRXUOSIZJU-UXHICEINSA-N 1 0 355.478 4.191 40 0 FIABRO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833981 571087037 /nfs/dbraw/zinc/08/70/37/571087037.db2.gz UCCAWRSQLHHKCG-MRXNPFEDSA-N 1 0 373.294 4.300 40 0 FIABRO COc1ccc(OC)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038834797 571087243 /nfs/dbraw/zinc/08/72/43/571087243.db2.gz QCFHEEDUYHVGIG-MRXNPFEDSA-N 1 0 368.477 4.188 40 0 FIABRO O=C(Nc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038849359 571087773 /nfs/dbraw/zinc/08/77/73/571087773.db2.gz QRUPMEKRTBGREU-UHFFFAOYSA-N 1 0 352.434 4.044 40 0 FIABRO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000044912276 571104995 /nfs/dbraw/zinc/10/49/95/571104995.db2.gz PARZGMHKKNMGQV-IBGZPJMESA-N 1 0 356.897 4.177 40 0 FIABRO S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1Cl ZINC000046103196 571106882 /nfs/dbraw/zinc/10/68/82/571106882.db2.gz SVXZZWCPDIIPBI-UHFFFAOYSA-N 1 0 359.926 4.075 40 0 FIABRO C[C@@H](CO)[N@H+](Cc1c2cccnc2[nH]c1C(C)(C)C)Cc1ccccc1 ZINC000072393645 571190291 /nfs/dbraw/zinc/19/02/91/571190291.db2.gz VBVGXFJXAIJNIO-INIZCTEOSA-N 1 0 351.494 4.243 40 0 FIABRO c1cncc(COCC[C@@H]2CCOC23CC[NH+](CC2CCCC2)CC3)c1 ZINC000585103609 571222714 /nfs/dbraw/zinc/22/27/14/571222714.db2.gz BXWXOCZSJYREDO-OAQYLSRUSA-N 1 0 358.526 4.050 40 0 FIABRO Cc1cn2c(cccc2[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000585182459 571238147 /nfs/dbraw/zinc/23/81/47/571238147.db2.gz XWJRNLKTLKVBPH-KRWDZBQOSA-N 1 0 372.472 4.073 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000009062976 571302365 /nfs/dbraw/zinc/30/23/65/571302365.db2.gz WPMJWJOFZGFOEN-HXUWFJFHSA-N 1 0 364.533 4.345 40 0 FIABRO CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000033632310 571305638 /nfs/dbraw/zinc/30/56/38/571305638.db2.gz DNWQADVMYHEOMV-JLHYYAGUSA-N 1 0 363.505 4.214 40 0 FIABRO c1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccccc5)cn4n3)C2)cc1 ZINC000306123630 210049496 /nfs/dbraw/zinc/04/94/96/210049496.db2.gz ASMUXSWGROAPSN-OAQYLSRUSA-N 1 0 354.457 4.386 40 0 FIABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)cc1Cl ZINC000225608203 222853586 /nfs/dbraw/zinc/85/35/86/222853586.db2.gz PYFJBZPKRCTFHT-INIZCTEOSA-N 1 0 352.906 4.123 40 0 FIABRO CCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225724011 222863728 /nfs/dbraw/zinc/86/37/28/222863728.db2.gz VJLSWKRLJOQDJP-JOCHJYFZSA-N 1 0 374.525 4.085 40 0 FIABRO Cc1c[nH]c(-c2cc(C)nc(C3CC[NH+](Cc4sccc4C)CC3)n2)n1 ZINC000257205565 223018386 /nfs/dbraw/zinc/01/83/86/223018386.db2.gz AZQWVSOTSMTOBH-UHFFFAOYSA-N 1 0 367.522 4.233 40 0 FIABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1cccc2c3c(oc21)CCCC3 ZINC000005358326 219673678 /nfs/dbraw/zinc/67/36/78/219673678.db2.gz GXIUHNGDHPOTMO-ULQDDVLXSA-N 1 0 357.494 4.314 40 0 FIABRO Cc1cccnc1Nc1cncc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000257259346 223041537 /nfs/dbraw/zinc/04/15/37/223041537.db2.gz KXWKYRWMHLJMQX-SFHVURJKSA-N 1 0 363.509 4.459 40 0 FIABRO Cc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000022512272 211353385 /nfs/dbraw/zinc/35/33/85/211353385.db2.gz GPHSQZVJQSITIQ-UHFFFAOYSA-N 1 0 350.506 4.499 40 0 FIABRO Cc1ccc(CN(C)C(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022510533 211353407 /nfs/dbraw/zinc/35/34/07/211353407.db2.gz IKDYPKLGKCFQPB-IBGZPJMESA-N 1 0 350.506 4.499 40 0 FIABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OC ZINC000022074378 211336269 /nfs/dbraw/zinc/33/62/69/211336269.db2.gz ZDCHQKYTTDMRHT-UHFFFAOYSA-N 1 0 364.283 4.189 40 0 FIABRO Clc1cc(Cl)cc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)c1 ZINC000022076686 211338255 /nfs/dbraw/zinc/33/82/55/211338255.db2.gz JTAAGBOYWLDACW-UHFFFAOYSA-N 1 0 369.292 4.065 40 0 FIABRO CC(C)n1cc(C[NH+]2CCC(CC(=O)NCC3CC3)CC2)c2ccccc21 ZINC000019748511 211252891 /nfs/dbraw/zinc/25/28/91/211252891.db2.gz IPBUGSALBHVGLY-UHFFFAOYSA-N 1 0 367.537 4.351 40 0 FIABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1OC ZINC000019567088 211236540 /nfs/dbraw/zinc/23/65/40/211236540.db2.gz BPQORRJGCFANIP-QGZVFWFLSA-N 1 0 365.477 4.268 40 0 FIABRO Cc1cc(-c2cn[nH]c2)cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2C(C)(C)C)n1 ZINC000019690842 211245310 /nfs/dbraw/zinc/24/53/10/211245310.db2.gz AUNYBLBZMYJMTI-LJQANCHMSA-N 1 0 364.497 4.138 40 0 FIABRO CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000019690462 211244108 /nfs/dbraw/zinc/24/41/08/211244108.db2.gz VYBVPRYJXPFKQF-IBGZPJMESA-N 1 0 354.473 4.428 40 0 FIABRO Cc1noc2nc(C3CC[NH+](Cc4ccncc4)CC3)cc(C(F)F)c12 ZINC000019565099 211233800 /nfs/dbraw/zinc/23/38/00/211233800.db2.gz VFMROSXUJPIUBF-UHFFFAOYSA-N 1 0 358.392 4.243 40 0 FIABRO COc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OC1CCCC1 ZINC000019550127 211229994 /nfs/dbraw/zinc/22/99/94/211229994.db2.gz LVUIPOZXMFASPQ-QHCPKHFHSA-N 1 0 367.489 4.110 40 0 FIABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000019236808 211209961 /nfs/dbraw/zinc/20/99/61/211209961.db2.gz GWFOARLPBFFKPW-SIKLNZKXSA-N 1 0 365.521 4.229 40 0 FIABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCCC3)CC[C@@H]21 ZINC000019406574 211220385 /nfs/dbraw/zinc/22/03/85/211220385.db2.gz DCINHGMCVZHZFP-ACRUOGEOSA-N 1 0 372.578 4.497 40 0 FIABRO Clc1ccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019341468 211215804 /nfs/dbraw/zinc/21/58/04/211215804.db2.gz WCJZRIASCNJHFF-UHFFFAOYSA-N 1 0 354.841 4.165 40 0 FIABRO C/C(=C\c1ccccc1)CN1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019014410 211198919 /nfs/dbraw/zinc/19/89/19/211198919.db2.gz DHLFXZHUTAZWSO-RRXSNJIPSA-N 1 0 362.521 4.095 40 0 FIABRO FC(F)(F)c1ccc2nc(C(F)(F)F)cc(N3CCC[NH2+]CC3)c2c1 ZINC000002243301 210387285 /nfs/dbraw/zinc/38/72/85/210387285.db2.gz ZFUYIJNUMWMHSA-UHFFFAOYSA-N 1 0 363.305 4.072 40 0 FIABRO CCCC[NH+](CCCC)C[C@@](C)(O)CNc1cc(OC)cc2cccnc21 ZINC000001656120 210363797 /nfs/dbraw/zinc/36/37/97/210363797.db2.gz HTFQGDNSKYUEPU-QFIPXVFZSA-N 1 0 373.541 4.309 40 0 FIABRO CCCOC(C(=O)OCC[NH+](CC)CC)(c1ccccc1)c1ccccc1 ZINC000001608961 210361986 /nfs/dbraw/zinc/36/19/86/210361986.db2.gz YIJFXZVKHONBBE-UHFFFAOYSA-N 1 0 369.505 4.242 40 0 FIABRO CCC[NH2+]C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000001568049 210360420 /nfs/dbraw/zinc/36/04/20/210360420.db2.gz YGTWRJXPPATPFF-LBPRGKRZSA-N 1 0 366.305 4.305 40 0 FIABRO CNc1nc([C@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)c2sccn12 ZINC000257216035 533086798 /nfs/dbraw/zinc/08/67/98/533086798.db2.gz CSUYOQLJVRZWFC-MRXNPFEDSA-N 1 0 366.490 4.050 40 0 FIABRO CCOc1cc(C[NH2+]CCN(CC)CC)ccc1OCc1ccccc1 ZINC000022075355 220377296 /nfs/dbraw/zinc/37/72/96/220377296.db2.gz DZOKUQVXZZEPFC-UHFFFAOYSA-N 1 0 356.510 4.096 40 0 FIABRO c1cc2n(c1)-c1ccccc1N[C@@]21CCC[N@@H+](CCOc2ccccc2)C1 ZINC000057731711 221093301 /nfs/dbraw/zinc/09/33/01/221093301.db2.gz QLKZBQJZVXKNTD-HSZRJFAPSA-N 1 0 359.473 4.273 40 0 FIABRO CNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328958516 132371789 /nfs/dbraw/zinc/37/17/89/132371789.db2.gz APOBMUJNRKCRAC-UHFFFAOYSA-N 1 0 366.387 4.103 40 0 FIABRO CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329034886 132372699 /nfs/dbraw/zinc/37/26/99/132372699.db2.gz RCEILNSSGKZGOW-HNNXBMFYSA-N 1 0 366.509 4.010 40 0 FIABRO O=C(CC1CC1)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242455 222096681 /nfs/dbraw/zinc/09/66/81/222096681.db2.gz VUTPLVRNHRTYHI-UHFFFAOYSA-N 1 0 366.549 4.353 40 0 FIABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076395 263384807 /nfs/dbraw/zinc/38/48/07/263384807.db2.gz WMAWNSMGSVDNBP-IBGZPJMESA-N 1 0 369.486 4.159 40 0 FIABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)s1 ZINC000306136305 533956229 /nfs/dbraw/zinc/95/62/29/533956229.db2.gz PPOTZHSXJKDTSL-IBGZPJMESA-N 1 0 371.531 4.156 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000020492496 523020170 /nfs/dbraw/zinc/02/01/70/523020170.db2.gz IAUGYJAESYPHNB-MOPGFXCFSA-N 1 0 360.542 4.348 40 0 FIABRO CC[C@H](C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329010811 536149321 /nfs/dbraw/zinc/14/93/21/536149321.db2.gz MBWVKHIKRZTZRA-AWEZNQCLSA-N 1 0 358.917 4.448 40 0 FIABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000223339245 568642093 /nfs/dbraw/zinc/64/20/93/568642093.db2.gz ZSRULTRFQGDXPX-MOPGFXCFSA-N 1 0 360.542 4.124 40 0 FIABRO Cc1cc(OC[C@@]2(O)CCC[N@@H+](C3CCCCC3)C2)cc(C)c1Cl ZINC000585282174 570492516 /nfs/dbraw/zinc/49/25/16/570492516.db2.gz YNOANOUWIURABP-HXUWFJFHSA-N 1 0 351.918 4.495 40 0 FIABRO CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000002568223 570525397 /nfs/dbraw/zinc/52/53/97/570525397.db2.gz JUBNVWGVNWIXMB-DLBZAZTESA-N 1 0 355.309 4.472 40 0 investigational FIABRO COc1cc(CC[NH2+]Cc2cccc(O)c2)ccc1OCc1ccccc1 ZINC000003847250 570568841 /nfs/dbraw/zinc/56/88/41/570568841.db2.gz MWOFZDGTXULLFY-UHFFFAOYSA-N 1 0 363.457 4.312 40 0 FIABRO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408603863 570580432 /nfs/dbraw/zinc/58/04/32/570580432.db2.gz BVQKRDUPRQJRHQ-UHFFFAOYSA-N 1 0 354.519 4.267 40 0 FIABRO Cc1ccc(C)c(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)c1 ZINC000242459630 570609122 /nfs/dbraw/zinc/60/91/22/570609122.db2.gz BQHVHXIIJMRHGA-UHFFFAOYSA-N 1 0 361.493 4.478 40 0 FIABRO CCOP(=O)(OCC)[C@@H]1CCC[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]12 ZINC000005395556 570626361 /nfs/dbraw/zinc/62/63/61/570626361.db2.gz XBRZIMWUAYLLQW-MJGOQNOKSA-N 1 0 362.410 4.496 40 0 FIABRO CC[NH+](CC)CCN(Cc1ccccc1)C(=S)Nc1ccc(OC)cc1 ZINC000005572636 570631288 /nfs/dbraw/zinc/63/12/88/570631288.db2.gz OPXMJHZFEZKTPJ-UHFFFAOYSA-N 1 0 371.550 4.236 40 0 FIABRO COc1ccccc1/C=C/C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447713 570664037 /nfs/dbraw/zinc/66/40/37/570664037.db2.gz NYZYVLHIBSTZQD-BUHFOSPRSA-N 1 0 364.489 4.011 40 0 FIABRO O=C(COc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448474 570664461 /nfs/dbraw/zinc/66/44/61/570664461.db2.gz KMHJGAQBBOLKGO-UHFFFAOYSA-N 1 0 372.896 4.021 40 0 FIABRO O=C(CCc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448700 570664650 /nfs/dbraw/zinc/66/46/50/570664650.db2.gz OBYDUFBJPQXISV-UHFFFAOYSA-N 1 0 354.469 4.061 40 0 FIABRO O=C(/C=C/c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004887912 570672680 /nfs/dbraw/zinc/67/26/80/570672680.db2.gz KBMNODPKUWQSKX-LKNVEGBXSA-N 1 0 360.501 4.402 40 0 FIABRO COc1cccc(C[NH2+]C[C@@H](C)O)c1OCc1ccc(Cl)cc1Cl ZINC000008535102 570682774 /nfs/dbraw/zinc/68/27/74/570682774.db2.gz XLFAWGNMQASOCK-GFCCVEGCSA-N 1 0 370.276 4.051 40 0 FIABRO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000008535056 570682946 /nfs/dbraw/zinc/68/29/46/570682946.db2.gz KNSPZFJNLZCRIN-GFCCVEGCSA-N 1 0 370.276 4.051 40 0 FIABRO Cc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)cc1C ZINC000008690315 570684833 /nfs/dbraw/zinc/68/48/33/570684833.db2.gz SNFOZKYWNCUNHB-YQQQUEKLSA-N 1 0 369.534 4.378 40 0 FIABRO Cc1ccc(OCC[N@@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)cc1 ZINC000012085209 570716947 /nfs/dbraw/zinc/71/69/47/570716947.db2.gz YKNFPKVGLIXEIN-FQEVSTJZSA-N 1 0 365.477 4.234 40 0 FIABRO O=C(NCCC[NH+]1Cc2ccccc2C1)c1ccnc2ccc(Cl)cc21 ZINC000012193313 570725729 /nfs/dbraw/zinc/72/57/29/570725729.db2.gz VGNYQWUSZFMNTE-UHFFFAOYSA-N 1 0 365.864 4.024 40 0 FIABRO CC[N@@H+]1CCC[C@H]1CNc1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012275076 570731932 /nfs/dbraw/zinc/73/19/32/570731932.db2.gz IFQPSCHGVVMSGT-ZDUSSCGKSA-N 1 0 371.535 4.225 40 0 FIABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC2)c1 ZINC000012292311 570732333 /nfs/dbraw/zinc/73/23/33/570732333.db2.gz DBZBERMUOVHAMT-HSZRJFAPSA-N 1 0 361.485 4.165 40 0 FIABRO COc1c(C)cccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1cccc(F)c1)C2 ZINC000012293190 570732854 /nfs/dbraw/zinc/73/28/54/570732854.db2.gz RMRYLCUBISVXIB-RLAPIPATSA-N 1 0 355.453 4.157 40 0 FIABRO Cc1nccc(-c2ccc(-c3noc(C[NH+]4[C@H](C)CCC[C@H]4C)n3)cc2)n1 ZINC000012337078 570737757 /nfs/dbraw/zinc/73/77/57/570737757.db2.gz BSOJNMAWSBVCCP-HUUCEWRRSA-N 1 0 363.465 4.265 40 0 FIABRO COc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc1OC(C)C ZINC000012344666 570738105 /nfs/dbraw/zinc/73/81/05/570738105.db2.gz VOQDUIPTXKFWMW-UHFFFAOYSA-N 1 0 369.505 4.274 40 0 FIABRO Cc1ccc(C2(C[N@@H+]3CCC[C@H](CN4CCCC4=O)C3)CCCC2)cc1 ZINC000012364539 570739181 /nfs/dbraw/zinc/73/91/81/570739181.db2.gz UDRNNVQODLEVBW-FQEVSTJZSA-N 1 0 354.538 4.141 40 0 FIABRO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062876 570797171 /nfs/dbraw/zinc/79/71/71/570797171.db2.gz AWRXAVDHVXOMSS-UHFFFAOYSA-N 1 0 352.478 4.244 40 0 FIABRO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000224537348 570992826 /nfs/dbraw/zinc/99/28/26/570992826.db2.gz UVFQYIKUDNUSGY-UHFFFAOYSA-N 1 0 372.896 4.337 40 0 FIABRO COc1cc2ccccc2cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224625204 570995114 /nfs/dbraw/zinc/99/51/14/570995114.db2.gz STKKJAFJQXXJTQ-UHFFFAOYSA-N 1 0 374.484 4.374 40 0 FIABRO C[C@H](Sc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645597 570996133 /nfs/dbraw/zinc/99/61/33/570996133.db2.gz FRPQJQJQLNSMAO-SFHVURJKSA-N 1 0 368.546 4.470 40 0 FIABRO Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224670524 570996641 /nfs/dbraw/zinc/99/66/41/570996641.db2.gz FNKUOOHRWCDJNC-IBGZPJMESA-N 1 0 366.505 4.065 40 0 FIABRO O=C(COc1ccccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224674874 570997068 /nfs/dbraw/zinc/99/70/68/570997068.db2.gz MGAWFZCSKNXRDH-UHFFFAOYSA-N 1 0 372.896 4.021 40 0 FIABRO O=C(Cc1ccccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224703619 570997935 /nfs/dbraw/zinc/99/79/35/570997935.db2.gz XIKDAQUJWBSPIB-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000224704970 570997952 /nfs/dbraw/zinc/99/79/52/570997952.db2.gz NLMMONKBJDIQGJ-UHFFFAOYSA-N 1 0 362.517 4.481 40 0 FIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000224977687 571008416 /nfs/dbraw/zinc/00/84/16/571008416.db2.gz CUOJYPZDGLTVDO-PMACEKPBSA-N 1 0 364.533 4.380 40 0 FIABRO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039761026 571023085 /nfs/dbraw/zinc/02/30/85/571023085.db2.gz JVWGHQYTIDSNTG-GOSISDBHSA-N 1 0 366.505 4.093 40 0 FIABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039767555 571023688 /nfs/dbraw/zinc/02/36/88/571023688.db2.gz UNVWIXKQTSEWFM-UHFFFAOYSA-N 1 0 358.869 4.199 40 0 FIABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCCCC1 ZINC000225630948 571050695 /nfs/dbraw/zinc/05/06/95/571050695.db2.gz DLKSXIJTMJDTTQ-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO O=C1OC2=C(CCCCC2)[C@H]([NH+]2CCCCC2)C12SCCCS2 ZINC000031759462 571055643 /nfs/dbraw/zinc/05/56/43/571055643.db2.gz LOXJREIATMNLGB-INIZCTEOSA-N 1 0 353.553 4.182 40 0 FIABRO FC(F)(F)c1c[nH]c(CNCc2ccc(OCc3ccccc3)cc2)n1 ZINC000035572466 571077153 /nfs/dbraw/zinc/07/71/53/571077153.db2.gz LWTJGYWJAGSZPV-UHFFFAOYSA-N 1 0 361.367 4.297 40 0 FIABRO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901095 571078807 /nfs/dbraw/zinc/07/88/07/571078807.db2.gz PYYHKULNJCTIMC-JOCHJYFZSA-N 1 0 358.485 4.368 40 0 FIABRO COc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000038834172 571087206 /nfs/dbraw/zinc/08/72/06/571087206.db2.gz CIRMMSKDWVYVPM-INIZCTEOSA-N 1 0 358.869 4.199 40 0 FIABRO O=C(Nc1ccc(F)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038853543 571088404 /nfs/dbraw/zinc/08/84/04/571088404.db2.gz MNXVBJTZGUGVPY-AWEZNQCLSA-N 1 0 364.823 4.469 40 0 FIABRO Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044852652 571103241 /nfs/dbraw/zinc/10/32/41/571103241.db2.gz PFEFQMOYLDSDFO-IBGZPJMESA-N 1 0 366.505 4.178 40 0 FIABRO CCCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044875007 571103476 /nfs/dbraw/zinc/10/34/76/571103476.db2.gz JMUCYDYQQAQRPW-UHFFFAOYSA-N 1 0 366.505 4.391 40 0 FIABRO CC[NH+](CC)CCCNc1c(C)c(C)nc2cc(-c3ccoc3C)nn21 ZINC000072336850 571179012 /nfs/dbraw/zinc/17/90/12/571179012.db2.gz RIAHCXOUSNLPEL-UHFFFAOYSA-N 1 0 355.486 4.058 40 0 FIABRO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@@H+]2C2CCCCC2)nc1C ZINC000072345511 571179640 /nfs/dbraw/zinc/17/96/40/571179640.db2.gz DHXVACIHARUVIS-IBGZPJMESA-N 1 0 358.530 4.127 40 0 FIABRO C[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000072343203 571179656 /nfs/dbraw/zinc/17/96/56/571179656.db2.gz VYMNHOWTMIKDOZ-WTNAPCKOSA-N 1 0 354.538 4.197 40 0 FIABRO Cc1ccccc1Cc1cccc(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000072349971 571181484 /nfs/dbraw/zinc/18/14/84/571181484.db2.gz AMXPFQGCEVSKDV-UHFFFAOYSA-N 1 0 360.505 4.094 40 0 FIABRO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072350273 571181719 /nfs/dbraw/zinc/18/17/19/571181719.db2.gz KNFNMJSITWRIPX-SFHVURJKSA-N 1 0 364.468 4.484 40 0 FIABRO Fc1ccc(Cc2cccc(C3CC[NH+](C4CCOCC4)CC3)n2)cc1 ZINC000072350096 571181778 /nfs/dbraw/zinc/18/17/78/571181778.db2.gz WXLWXXSOCBZWHV-UHFFFAOYSA-N 1 0 354.469 4.170 40 0 FIABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)c1 ZINC000072357715 571182812 /nfs/dbraw/zinc/18/28/12/571182812.db2.gz VAOYJMSLVMIQME-QHCPKHFHSA-N 1 0 359.473 4.413 40 0 FIABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072359238 571183775 /nfs/dbraw/zinc/18/37/75/571183775.db2.gz VDUNHAFDDOEFLF-GOSISDBHSA-N 1 0 365.456 4.262 40 0 FIABRO C[NH+]1CCC2(CC1)CN(Cc1ccccc1Cl)Cc1ccccc1O2 ZINC000072394172 571190316 /nfs/dbraw/zinc/19/03/16/571190316.db2.gz NYNREPQCUYQTHW-UHFFFAOYSA-N 1 0 356.897 4.199 40 0 FIABRO O=c1cc(C2CC[NH+](CC3CCCCC3)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392738 571190425 /nfs/dbraw/zinc/19/04/25/571190425.db2.gz RZCFLPIPGNETBO-UHFFFAOYSA-N 1 0 352.482 4.004 40 0 FIABRO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000257304874 571215777 /nfs/dbraw/zinc/21/57/77/571215777.db2.gz SNMDIRNDGXSROL-RACICXKXSA-N 1 0 370.512 4.089 40 0 FIABRO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3)CC2)N1Cc1ccccc1 ZINC000585100125 571221091 /nfs/dbraw/zinc/22/10/91/571221091.db2.gz GFEBNZLOTOPTTI-QHCPKHFHSA-N 1 0 366.480 4.373 40 0 FIABRO CC(C)(C)c1csc(C[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)n1 ZINC000133581484 571275910 /nfs/dbraw/zinc/27/59/10/571275910.db2.gz HJVROEGFSYDLSW-UHFFFAOYSA-N 1 0 369.534 4.363 40 0 FIABRO C[C@H]([NH2+]CCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C ZINC000254017813 571291920 /nfs/dbraw/zinc/29/19/20/571291920.db2.gz OQLPSYJNZRYLOQ-BFIGJCJDSA-N 1 0 370.581 4.404 40 0 FIABRO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009062739 571302338 /nfs/dbraw/zinc/30/23/38/571302338.db2.gz XOTDONLPHRNWFI-UHFFFAOYSA-N 1 0 368.496 4.095 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000009062975 571302426 /nfs/dbraw/zinc/30/24/26/571302426.db2.gz WPMJWJOFZGFOEN-FQEVSTJZSA-N 1 0 364.533 4.345 40 0 FIABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000019690461 571304034 /nfs/dbraw/zinc/30/40/34/571304034.db2.gz MWESMGWAXZVGLS-HXUWFJFHSA-N 1 0 366.509 4.298 40 0 FIABRO Cc1ccc(-c2cc(C(=O)N3CC[C@@]4(C)[C@@H]3CCCCC[N@H+]4C)no2)cc1 ZINC000019713343 571304823 /nfs/dbraw/zinc/30/48/23/571304823.db2.gz OQIOIPPUHNVULY-UNMCSNQZSA-N 1 0 367.493 4.129 40 0 FIABRO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030943787 571305308 /nfs/dbraw/zinc/30/53/08/571305308.db2.gz OZLOTUGVWUREQQ-NQIIRXRSSA-N 1 0 368.496 4.175 40 0 FIABRO Brc1ccc2c(c1)CCc1cccnc1C2=C1CC[NH2+]CC1 ZINC000034405301 1120119237 /nfs/dbraw/zinc/11/92/37/1120119237.db2.gz VUXYWIBSPSRHON-UHFFFAOYSA-N 1 0 355.279 4.128 40 0 in-vitro FIABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)C3CCOCC3)[C@H](c3ccccc3)C[C@@]21C ZINC000257209243 530051719 /nfs/dbraw/zinc/05/17/19/530051719.db2.gz BPOOJAFCVBRMCB-FUDKSRODSA-N 1 0 370.537 4.020 40 0 FIABRO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH+](Cc2ccccn2)CC1 ZINC000306132960 210054674 /nfs/dbraw/zinc/05/46/74/210054674.db2.gz LXNPIOPQTCRDIV-UHFFFAOYSA-N 1 0 374.488 4.410 40 0 FIABRO Cc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000224517218 222814667 /nfs/dbraw/zinc/81/46/67/222814667.db2.gz BWJKUKJOARMOKO-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787502 222820508 /nfs/dbraw/zinc/82/05/08/222820508.db2.gz SUZRUEGEGVLOTO-QFIPXVFZSA-N 1 0 366.505 4.065 40 0 FIABRO Cc1cccnc1Nc1cncc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000257259345 223041642 /nfs/dbraw/zinc/04/16/42/223041642.db2.gz KXWKYRWMHLJMQX-GOSISDBHSA-N 1 0 363.509 4.459 40 0 FIABRO Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(Nc3cnccn3)nc2)cc1 ZINC000257270082 223045400 /nfs/dbraw/zinc/04/54/00/223045400.db2.gz MSROTJNYKIJTRV-LJQANCHMSA-N 1 0 361.449 4.048 40 0 FIABRO COc1cc2c(cc1OC)[C@H](C13C[C@H]4C[C@H](CC(Cl)(C4)C1)C3)[NH2+]CC2 ZINC000008487182 219863217 /nfs/dbraw/zinc/86/32/17/219863217.db2.gz HSDXWRHEZLIHTH-WVXLQWSJSA-N 1 0 361.913 4.468 40 0 FIABRO COc1ccc2cc(CN(CCC[NH+](C)C)Cc3ccccn3)ccc2c1 ZINC000013990773 220101621 /nfs/dbraw/zinc/10/16/21/220101621.db2.gz CLESSYHMNXQQCT-UHFFFAOYSA-N 1 0 363.505 4.197 40 0 FIABRO C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375811 211839637 /nfs/dbraw/zinc/83/96/37/211839637.db2.gz KSVOAGSJPVKKBU-MRXNPFEDSA-N 1 0 372.896 4.020 40 0 FIABRO CC(C)c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000030556763 211522468 /nfs/dbraw/zinc/52/24/68/211522468.db2.gz HOCWWAOIWGSVHN-UHFFFAOYSA-N 1 0 366.505 4.101 40 0 FIABRO CC(C)c1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024390040 211404662 /nfs/dbraw/zinc/40/46/62/211404662.db2.gz WCKJQWHEQWNPSV-UHFFFAOYSA-N 1 0 366.505 4.101 40 0 FIABRO Cc1cccc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000022913870 211368969 /nfs/dbraw/zinc/36/89/69/211368969.db2.gz SISSTYWEWAWTRK-UHFFFAOYSA-N 1 0 370.496 4.483 40 0 FIABRO Cc1ccc(CN(C)C(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022510528 211353072 /nfs/dbraw/zinc/35/30/72/211353072.db2.gz IKDYPKLGKCFQPB-LJQANCHMSA-N 1 0 350.506 4.499 40 0 FIABRO O=C(CC1CC[NH+](C2CCCCC2)CC1)Nc1cccc(-n2cccn2)c1 ZINC000019748285 211254227 /nfs/dbraw/zinc/25/42/27/211254227.db2.gz BUNVJUFJDYKUHQ-UHFFFAOYSA-N 1 0 366.509 4.246 40 0 FIABRO COCc1ccc(OC)c(C[NH+]2CCC(c3cc4ncccc4[nH]3)CC2)c1 ZINC000019594336 211241135 /nfs/dbraw/zinc/24/11/35/211241135.db2.gz HSEOXOBORQYDJP-UHFFFAOYSA-N 1 0 365.477 4.098 40 0 FIABRO COCCC[N@H+](Cc1ccccn1)Cc1ccnc2ccc(Cl)cc12 ZINC000019593287 211239954 /nfs/dbraw/zinc/23/99/54/211239954.db2.gz GBDCNMLGSYMKLQ-UHFFFAOYSA-N 1 0 355.869 4.322 40 0 FIABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000019406566 211222075 /nfs/dbraw/zinc/22/20/75/211222075.db2.gz DOQJBJRYOBEKIQ-UFYCRDLUSA-N 1 0 358.551 4.107 40 0 FIABRO Cc1c2ccccc2oc1C[NH2+][C@H](C)c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019566421 211235707 /nfs/dbraw/zinc/23/57/07/211235707.db2.gz XXYOVZYSQRNBGM-CQSZACIVSA-N 1 0 360.417 4.150 40 0 FIABRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1)CCC2 ZINC000019532555 211230587 /nfs/dbraw/zinc/23/05/87/211230587.db2.gz VIODNHPGFPCDGT-GHTZIAJQSA-N 1 0 354.494 4.371 40 0 FIABRO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC000019406604 211221351 /nfs/dbraw/zinc/22/13/51/211221351.db2.gz WLAADQORILZEAJ-NJDAHSKKSA-N 1 0 372.578 4.355 40 0 FIABRO Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)s1 ZINC000019217063 211207379 /nfs/dbraw/zinc/20/73/79/211207379.db2.gz XTEPHJXAMXMUPZ-NSHGMRRFSA-N 1 0 372.509 4.336 40 0 FIABRO Fc1ccccc1COc1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000016449755 211162024 /nfs/dbraw/zinc/16/20/24/211162024.db2.gz YHPARNSURXAQOD-UHFFFAOYSA-N 1 0 365.404 4.423 40 0 FIABRO O[C@H](C[NH2+]Cc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000016477508 211160729 /nfs/dbraw/zinc/16/07/29/211160729.db2.gz JGDFEHSLVPDZIB-JOCHJYFZSA-N 1 0 351.421 4.228 40 0 FIABRO O=C(NCC[NH+]1CCCCCC1)c1ccccc1CCc1ccccc1 ZINC000013688454 211050715 /nfs/dbraw/zinc/05/07/15/211050715.db2.gz JYANHJSQVXPAHD-UHFFFAOYSA-N 1 0 350.506 4.078 40 0 FIABRO CC(=O)O[C@@H](C(=O)c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001701277 210365770 /nfs/dbraw/zinc/36/57/70/210365770.db2.gz AHLVYOADQOSJBO-RBBKRZOGSA-N 1 0 351.446 4.028 40 0 FIABRO CC[NH+](CC)CCCN[C@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000001708586 210368006 /nfs/dbraw/zinc/36/80/06/210368006.db2.gz OFRXUNGYDUXSGN-OAHLLOKOSA-N 1 0 367.748 4.428 40 0 FIABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4cccc(F)c4F)C3)n2)cc1 ZINC000257268354 533207586 /nfs/dbraw/zinc/20/75/86/533207586.db2.gz MLISXTHSKLQLPC-OAHLLOKOSA-N 1 0 371.387 4.013 40 0 FIABRO O=C(NCCC[NH+]1CCCCCC1)c1cc(Br)ccc1Cl ZINC000069249036 221322724 /nfs/dbraw/zinc/32/27/24/221322724.db2.gz JSCPUUHKKOAUCS-UHFFFAOYSA-N 1 0 373.722 4.098 40 0 FIABRO Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)C[NH2+]CCc1ccccc1 ZINC000004894689 132255396 /nfs/dbraw/zinc/25/53/96/132255396.db2.gz PROJJJKVXFPPGE-GOSISDBHSA-N 1 0 350.506 4.446 40 0 FIABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096052610 222002735 /nfs/dbraw/zinc/00/27/35/222002735.db2.gz PKPAYLMAMOYRTK-IBGZPJMESA-N 1 0 366.505 4.215 40 0 FIABRO CCC[NH+]1CCC(c2cc3c(ncn3C)c(-c3ccc(OC)cc3)n2)CC1 ZINC000096155611 222056069 /nfs/dbraw/zinc/05/60/69/222056069.db2.gz DSFMXKQLZRYITF-UHFFFAOYSA-N 1 0 364.493 4.233 40 0 FIABRO CC(C)(C)OC(=O)NCC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000098213748 222232184 /nfs/dbraw/zinc/23/21/84/222232184.db2.gz YNJPMQQMPMWQCI-UHFFFAOYSA-N 1 0 372.431 4.142 40 0 FIABRO CC(C)c1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039750313 263399499 /nfs/dbraw/zinc/39/94/99/263399499.db2.gz IXKDSRZRPHLEII-UHFFFAOYSA-N 1 0 364.533 4.381 40 0 FIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)C1 ZINC000019933114 524234108 /nfs/dbraw/zinc/23/41/08/524234108.db2.gz BHOJTORKYUYDDN-GOSISDBHSA-N 1 0 368.496 4.420 40 0 FIABRO CC(=O)Nc1nc2nc(C3CC[NH+](Cc4ccccc4)CC3)ccc2s1 ZINC000257315026 527103686 /nfs/dbraw/zinc/10/36/86/527103686.db2.gz UZOYEICEFVKKTI-UHFFFAOYSA-N 1 0 366.490 4.029 40 0 FIABRO CCNc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329009097 535523107 /nfs/dbraw/zinc/52/31/07/535523107.db2.gz LVOWRGAGHHSBSF-UHFFFAOYSA-N 1 0 373.298 4.111 40 0 FIABRO CC[C@@H](C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329010813 535568318 /nfs/dbraw/zinc/56/83/18/535568318.db2.gz MBWVKHIKRZTZRA-CQSZACIVSA-N 1 0 358.917 4.448 40 0 FIABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000225489492 560042601 /nfs/dbraw/zinc/04/26/01/560042601.db2.gz CSHRTKZPAILPJY-SFHVURJKSA-N 1 0 356.853 4.380 40 0 biogenic,in-vitro FIABRO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000004237295 560197763 /nfs/dbraw/zinc/19/77/63/560197763.db2.gz VXWYWZWSVZJIMM-LSDHHAIUSA-N 1 0 368.527 4.258 40 0 biogenic,in-vitro FIABRO COc1cccc(C[NH+]2CCC3(CCN(Cc4nccs4)CC3)CC2)c1 ZINC000096047243 570473238 /nfs/dbraw/zinc/47/32/38/570473238.db2.gz YBKQPNZJIDJZEE-UHFFFAOYSA-N 1 0 371.550 4.030 40 0 FIABRO Cc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000585289584 570495435 /nfs/dbraw/zinc/49/54/35/570495435.db2.gz KIITZYSCVIMUPC-CEWLAPEOSA-N 1 0 359.897 4.142 40 0 FIABRO Fc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752088 570525005 /nfs/dbraw/zinc/52/50/05/570525005.db2.gz YINWRGIHERSHJW-YADHBBJMSA-N 1 0 361.501 4.404 40 0 FIABRO CC[N@H+](CCO)[C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000004769618 570606118 /nfs/dbraw/zinc/60/61/18/570606118.db2.gz FCPMTNGZZNNVQK-ZWKOTPCHSA-N 1 0 354.277 4.082 40 0 FIABRO S=C(Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035289085 570633945 /nfs/dbraw/zinc/63/39/45/570633945.db2.gz YPIBUBIYOPUOIL-IHWFROFDSA-N 1 0 351.519 4.169 40 0 FIABRO O=C(c1cccc2ccccc21)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000006061070 570640596 /nfs/dbraw/zinc/64/05/96/570640596.db2.gz DUEWLPPMISKJNW-UHFFFAOYSA-N 1 0 358.485 4.230 40 0 FIABRO CCCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000007261649 570661879 /nfs/dbraw/zinc/66/18/79/570661879.db2.gz UMEBXVDICAQFNK-UHFFFAOYSA-N 1 0 351.082 4.110 40 0 FIABRO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007447528 570664272 /nfs/dbraw/zinc/66/42/72/570664272.db2.gz RPABBGDAUWNCKE-SDNWHVSQSA-N 1 0 364.489 4.011 40 0 FIABRO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(Cl)nc1 ZINC000007523756 570665277 /nfs/dbraw/zinc/66/52/77/570665277.db2.gz OYWSTPYOPXXVOV-UHFFFAOYSA-N 1 0 358.825 4.205 40 0 FIABRO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004230364 570666892 /nfs/dbraw/zinc/66/68/92/570666892.db2.gz JWNNXUBXAUBATN-HXUWFJFHSA-N 1 0 369.557 4.470 40 0 FIABRO CC[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000008326682 570680373 /nfs/dbraw/zinc/68/03/73/570680373.db2.gz CKTVLMBUWRAVIT-QMMMGPOBSA-N 1 0 351.082 4.108 40 0 FIABRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008326311 570680385 /nfs/dbraw/zinc/68/03/85/570680385.db2.gz ORNXCRVNQWNPLJ-KRWDZBQOSA-N 1 0 354.277 4.433 40 0 FIABRO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000008497981 570682592 /nfs/dbraw/zinc/68/25/92/570682592.db2.gz NSSGMQURAFCCHO-LBPRGKRZSA-N 1 0 370.276 4.051 40 0 FIABRO Cc1cc(O[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc(C)c1Cl ZINC000010111316 570698304 /nfs/dbraw/zinc/69/83/04/570698304.db2.gz VRPRECDNGSCJHY-QGZVFWFLSA-N 1 0 366.933 4.106 40 0 FIABRO C[N@H+](Cc1ccccc1OC[C@H]1CCCO1)Cc1cccc2ncccc12 ZINC000012191748 570725859 /nfs/dbraw/zinc/72/58/59/570725859.db2.gz DNSLHXUKMRBATF-HXUWFJFHSA-N 1 0 362.473 4.425 40 0 FIABRO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000012221305 570729137 /nfs/dbraw/zinc/72/91/37/570729137.db2.gz CAFJMHCIAZYWNQ-QFIPXVFZSA-N 1 0 367.468 4.069 40 0 FIABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cnn(C)c3)on2)cc1 ZINC000012228036 570729905 /nfs/dbraw/zinc/72/99/05/570729905.db2.gz VTZHLPNVSLZTKL-FQEVSTJZSA-N 1 0 366.465 4.201 40 0 FIABRO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063340 570797008 /nfs/dbraw/zinc/79/70/08/570797008.db2.gz IHAPGDVQWFGSIU-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO COc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063279 570797083 /nfs/dbraw/zinc/79/70/83/570797083.db2.gz CXMGESNPJRLPCL-UHFFFAOYSA-N 1 0 358.869 4.199 40 0 FIABRO C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114823 570972196 /nfs/dbraw/zinc/97/21/96/570972196.db2.gz IYOVWTPMRZWWGE-QGZVFWFLSA-N 1 0 354.519 4.079 40 0 FIABRO Cc1ccc(CSCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024389762 570975201 /nfs/dbraw/zinc/97/52/01/570975201.db2.gz GGTQNICOBCRRBC-UHFFFAOYSA-N 1 0 368.546 4.140 40 0 FIABRO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000224536465 570992799 /nfs/dbraw/zinc/99/27/99/570992799.db2.gz MGCYNLPGSPQDGA-KRWDZBQOSA-N 1 0 370.924 4.472 40 0 FIABRO Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224675919 570996990 /nfs/dbraw/zinc/99/69/90/570996990.db2.gz MAEKOGYIFYUBJQ-LJQANCHMSA-N 1 0 366.505 4.065 40 0 FIABRO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000225188172 571021106 /nfs/dbraw/zinc/02/11/06/571021106.db2.gz KCGUSGNMYMIGKA-SFHVURJKSA-N 1 0 366.505 4.093 40 0 FIABRO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000225200162 571021590 /nfs/dbraw/zinc/02/15/90/571021590.db2.gz WIRMDXVXKUCXPI-QGZVFWFLSA-N 1 0 368.496 4.478 40 0 FIABRO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCCc2ccccc21 ZINC000039762957 571023530 /nfs/dbraw/zinc/02/35/30/571023530.db2.gz XYENLEXRQMQWPD-UHFFFAOYSA-N 1 0 352.453 4.017 40 0 FIABRO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039742633 571024455 /nfs/dbraw/zinc/02/44/55/571024455.db2.gz YUAZBYYRUWCJSX-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220817 571027931 /nfs/dbraw/zinc/02/79/31/571027931.db2.gz HTRMDCTWRJAVFF-INIZCTEOSA-N 1 0 358.869 4.199 40 0 FIABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225635121 571051647 /nfs/dbraw/zinc/05/16/47/571051647.db2.gz QLUUQENQDOSFIU-GCJKJVERSA-N 1 0 374.525 4.085 40 0 FIABRO CO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225644655 571052235 /nfs/dbraw/zinc/05/22/35/571052235.db2.gz QMDOHFNVBHNKGH-JTSKRJEESA-N 1 0 374.525 4.084 40 0 FIABRO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030940193 571052764 /nfs/dbraw/zinc/05/27/64/571052764.db2.gz PDHKINVXKXBHCT-SFHVURJKSA-N 1 0 370.468 4.464 40 0 FIABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCCCCC1 ZINC000225659264 571053307 /nfs/dbraw/zinc/05/33/07/571053307.db2.gz UDAAHSOUSMJEQK-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO Cc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000225742180 571061275 /nfs/dbraw/zinc/06/12/75/571061275.db2.gz IGKSODLNWQQWTQ-UHFFFAOYSA-N 1 0 353.535 4.038 40 0 FIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1OCC)C2 ZINC000035291735 571076497 /nfs/dbraw/zinc/07/64/97/571076497.db2.gz GNZXPUPDECYQNH-ALOPSCKCSA-N 1 0 361.555 4.167 40 0 FIABRO COc1ccccc1CN(Cc1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740482 571081430 /nfs/dbraw/zinc/08/14/30/571081430.db2.gz LTGDLVDZKSOECD-UHFFFAOYSA-N 1 0 367.537 4.402 40 0 FIABRO O=C(NCc1ccco1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849023 571087854 /nfs/dbraw/zinc/08/78/54/571087854.db2.gz HMXCGMPMTSQLJJ-CQSZACIVSA-N 1 0 367.276 4.115 40 0 FIABRO Cc1ccccc1C[N@H+](CCCn1ccnc1)Cc1nc2ccccc2[nH]1 ZINC000043277695 571100283 /nfs/dbraw/zinc/10/02/83/571100283.db2.gz AUMZTOGDHNHWOB-UHFFFAOYSA-N 1 0 359.477 4.160 40 0 FIABRO CC(C)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000044222085 571101439 /nfs/dbraw/zinc/10/14/39/571101439.db2.gz CFALBPTXLOQHIT-UHFFFAOYSA-N 1 0 368.550 4.156 40 0 FIABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044908943 571104442 /nfs/dbraw/zinc/10/44/42/571104442.db2.gz HUJOWAVCRFJYQR-IBGZPJMESA-N 1 0 366.505 4.036 40 0 FIABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044908946 571104472 /nfs/dbraw/zinc/10/44/72/571104472.db2.gz HUJOWAVCRFJYQR-LJQANCHMSA-N 1 0 366.505 4.036 40 0 FIABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000044934095 571105357 /nfs/dbraw/zinc/10/53/57/571105357.db2.gz QOEGIPJGEUPJSC-MAUKXSAKSA-N 1 0 358.432 4.054 40 0 FIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812510 571123385 /nfs/dbraw/zinc/12/33/85/571123385.db2.gz DOWNRSPLJKBICN-DYESRHJHSA-N 1 0 362.514 4.084 40 0 FIABRO CO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260816802 571123712 /nfs/dbraw/zinc/12/37/12/571123712.db2.gz QMDOHFNVBHNKGH-VGSWGCGISA-N 1 0 374.525 4.084 40 0 FIABRO CC[N@@H+](Cc1ccccc1)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000006325635 571126997 /nfs/dbraw/zinc/12/69/97/571126997.db2.gz FOZUHRZVYREPSW-XCBYWJNASA-N 1 0 371.565 4.493 40 0 FIABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072345884 571179787 /nfs/dbraw/zinc/17/97/87/571179787.db2.gz UNIUSKAODJUITJ-MRXNPFEDSA-N 1 0 354.473 4.377 40 0 FIABRO CC(=O)NCc1cnc([C@@H]2CCC[N@@H+]2C2CCCCC2)cc1C(F)(F)F ZINC000072355973 571182482 /nfs/dbraw/zinc/18/24/82/571182482.db2.gz RBPWCKHZWDOESV-SFHVURJKSA-N 1 0 369.431 4.206 40 0 FIABRO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)c1 ZINC000072357716 571182627 /nfs/dbraw/zinc/18/26/27/571182627.db2.gz VAOYJMSLVMIQME-HSZRJFAPSA-N 1 0 359.473 4.413 40 0 FIABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000072358328 571183584 /nfs/dbraw/zinc/18/35/84/571183584.db2.gz UGNAJESZUZDORF-GOSISDBHSA-N 1 0 364.493 4.224 40 0 FIABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)n2)cc1 ZINC000072369921 571185104 /nfs/dbraw/zinc/18/51/04/571185104.db2.gz LETVPFMJNXEBHV-MRXNPFEDSA-N 1 0 369.852 4.388 40 0 FIABRO CCc1nccn1-c1cccc(C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000072378699 571187336 /nfs/dbraw/zinc/18/73/36/571187336.db2.gz ZZNJSBIYQCXGFR-UHFFFAOYSA-N 1 0 360.505 4.252 40 0 FIABRO Cc1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379076 571187363 /nfs/dbraw/zinc/18/73/63/571187363.db2.gz XZEPMABWLHHPLK-SFHVURJKSA-N 1 0 350.441 4.094 40 0 FIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072379072 571187454 /nfs/dbraw/zinc/18/74/54/571187454.db2.gz APFACWXZPWWJTJ-LJQANCHMSA-N 1 0 350.441 4.306 40 0 FIABRO CCCn1nc(C)c(-c2cncn2C[C@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000072391892 571189921 /nfs/dbraw/zinc/18/99/21/571189921.db2.gz UFBHZPNHWBDCPV-OAQYLSRUSA-N 1 0 365.525 4.385 40 0 FIABRO O=C(NCc1ccccc1)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]C1 ZINC000072391922 571189954 /nfs/dbraw/zinc/18/99/54/571189954.db2.gz KTZHGSQCBAQQII-VWLOTQADSA-N 1 0 370.496 4.192 40 0 FIABRO CC(C)[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cccs1)c1ccccc1O2 ZINC000585105942 571224687 /nfs/dbraw/zinc/22/46/87/571224687.db2.gz MSUFAJVQMBKSKK-QGZVFWFLSA-N 1 0 370.518 4.245 40 0 FIABRO Cc1nc([C@@]2(C)CCCN(C(=O)c3ccccc3F)C2)c2sccn12 ZINC000585182471 571238217 /nfs/dbraw/zinc/23/82/17/571238217.db2.gz GHKJLWDAQSQZQO-IBGZPJMESA-N 1 0 357.454 4.037 40 0 FIABRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cc(C)ccc2C)cc1OC ZINC000019132046 571303790 /nfs/dbraw/zinc/30/37/90/571303790.db2.gz QFYQFRXUOSIZJU-VQTJNVASSA-N 1 0 355.478 4.191 40 0 FIABRO O=C1CCC[C@@H]2[C@H](C[C@H](c3ccccc3)[N@@H+]2Cc2cccc3ncccc23)N1 ZINC000019712876 571304597 /nfs/dbraw/zinc/30/45/97/571304597.db2.gz RKJWBOMGKCVCEM-YTFSRNRJSA-N 1 0 371.484 4.219 40 0 FIABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000251584305 1125008006 /nfs/dbraw/zinc/00/80/06/1125008006.db2.gz BCWBJXZIKLIVCW-ZWKOTPCHSA-N 1 0 366.505 4.418 40 0 FIABRO CC[NH+]1CCN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)CC1 ZINC000216840502 210160767 /nfs/dbraw/zinc/16/07/67/210160767.db2.gz WJQIRZUQTFWMDO-UHFFFAOYSA-N 1 0 355.869 4.286 40 0 FIABRO c1nc2c(n1CC1CCC1)C1(CC[NH+](CC3CC3)CC1)Oc1ccccc1-2 ZINC000306141659 210058263 /nfs/dbraw/zinc/05/82/63/210058263.db2.gz WDEVMTQXIRMTTD-UHFFFAOYSA-N 1 0 363.505 4.444 40 0 FIABRO Cc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccs4)C2)OC3)c1 ZINC000306143209 210056785 /nfs/dbraw/zinc/05/67/85/210056785.db2.gz XWJYUFVRTKFMEG-OAQYLSRUSA-N 1 0 365.502 4.095 40 0 FIABRO C[NH+](C)CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225402167 222838355 /nfs/dbraw/zinc/83/83/55/222838355.db2.gz CUQUHXRYJZWZFY-UHFFFAOYSA-N 1 0 359.564 4.217 40 0 FIABRO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ccc(-c3cccc(F)c3)nc2)cn1 ZINC000257223584 223026684 /nfs/dbraw/zinc/02/66/84/223026684.db2.gz DXZYXANADAZCIX-NRFANRHFSA-N 1 0 350.441 4.348 40 0 FIABRO Cc1nc(C2CC[NH+](C(C)C)CC2)cc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257267385 223043797 /nfs/dbraw/zinc/04/37/97/223043797.db2.gz MHBUSULFPBMKDK-UHFFFAOYSA-N 1 0 372.513 4.032 40 0 FIABRO CCOc1ccc(Br)cc1C[NH2+]CCc1ccc(OC)cc1 ZINC000022074624 211337756 /nfs/dbraw/zinc/33/77/56/211337756.db2.gz MROSCSRSSGFXEQ-UHFFFAOYSA-N 1 0 364.283 4.189 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2ccccc2cc1OC ZINC000020491875 211283519 /nfs/dbraw/zinc/28/35/19/211283519.db2.gz ANTQYNZBJCLIAU-IBGZPJMESA-N 1 0 354.494 4.233 40 0 FIABRO CC(=O)Nc1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020050994 211265423 /nfs/dbraw/zinc/26/54/23/211265423.db2.gz GXGPMVUKXMONNN-UHFFFAOYSA-N 1 0 365.477 4.129 40 0 FIABRO COc1ccc(C)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000019933678 211261893 /nfs/dbraw/zinc/26/18/93/211261893.db2.gz IVAOPUQKPGKZBW-QGZVFWFLSA-N 1 0 352.478 4.488 40 0 FIABRO C[N@H+](CCc1ccncc1)Cc1c2cccnc2[nH]c1-c1ccc(F)cc1 ZINC000019586287 211236841 /nfs/dbraw/zinc/23/68/41/211236841.db2.gz BMXGJCBJNHFSLR-UHFFFAOYSA-N 1 0 360.436 4.439 40 0 FIABRO Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000019666098 211244338 /nfs/dbraw/zinc/24/43/38/211244338.db2.gz KGHGQUQIDKKMMK-UHFFFAOYSA-N 1 0 359.901 4.001 40 0 FIABRO Cc1nc(C)c(CC(=O)Nc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000019560551 211233399 /nfs/dbraw/zinc/23/33/99/211233399.db2.gz IUHVLRXEXPGJNR-UHFFFAOYSA-N 1 0 357.523 4.317 40 0 FIABRO COc1ccc(C[NH+]2CCC(c3nnc(-c4sccc4C)o3)CC2)cc1 ZINC000019238724 211209541 /nfs/dbraw/zinc/20/95/41/211209541.db2.gz GWXPUXJREPIFCY-UHFFFAOYSA-N 1 0 369.490 4.495 40 0 FIABRO c1ccc2nc(C[NH+]3CCC(c4nnc(-c5cccnc5)o4)CC3)ccc2c1 ZINC000019376321 211220878 /nfs/dbraw/zinc/22/08/78/211220878.db2.gz LDSDKOKAAIXMHM-UHFFFAOYSA-N 1 0 371.444 4.059 40 0 FIABRO O=C(c1cccs1)N1C[C@@H]2CCCC[N@@H+](CCc3ccc(F)cc3)[C@@H]2C1 ZINC000019342902 211216666 /nfs/dbraw/zinc/21/66/66/211216666.db2.gz CPCXHOLMLYIMAY-PKOBYXMFSA-N 1 0 372.509 4.056 40 0 FIABRO O[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000016477505 211160856 /nfs/dbraw/zinc/16/08/56/211160856.db2.gz JGDFEHSLVPDZIB-QFIPXVFZSA-N 1 0 351.421 4.228 40 0 FIABRO c1ccc(COc2cccc(C[N@H+]3[C@@H]4CC[C@H]3Cc3ncccc34)c2)nc1 ZINC000013267905 211029559 /nfs/dbraw/zinc/02/95/59/211029559.db2.gz PERVUGLBHAGGGN-WMZHIEFXSA-N 1 0 357.457 4.317 40 0 FIABRO CC(C)n1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c2ccccc21 ZINC000019748513 220293950 /nfs/dbraw/zinc/29/39/50/220293950.db2.gz QRUIQJNCGFRZHT-UHFFFAOYSA-N 1 0 367.537 4.447 40 0 FIABRO c1ccc(OCC(COc2ccccc2)OCC[NH+]2CCCCC2)cc1 ZINC000001586345 210360113 /nfs/dbraw/zinc/36/01/13/210360113.db2.gz ZANRRXVGIWDBEC-UHFFFAOYSA-N 1 0 355.478 4.016 40 0 FIABRO O=c1oc(-c2ccc(C[n+]3ccc4ccccc4c3)cc2)nc2ccccc21 ZINC000001579466 210359013 /nfs/dbraw/zinc/35/90/13/210359013.db2.gz KDQTWQLTVICUNU-UHFFFAOYSA-N 1 0 365.412 4.344 40 0 FIABRO CC(C)[C@H](c1nnnn1C(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001327726 210340474 /nfs/dbraw/zinc/34/04/74/210340474.db2.gz PCSBZJUCMCGNBW-LJQANCHMSA-N 1 0 355.530 4.080 40 0 FIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)o1 ZINC000049169761 221019997 /nfs/dbraw/zinc/01/99/97/221019997.db2.gz AZEHAQFFYGCTSE-HNNXBMFYSA-N 1 0 362.433 4.033 40 0 biogenic,in-vitro FIABRO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000072348544 221474818 /nfs/dbraw/zinc/47/48/18/221474818.db2.gz OYXNXWLHJOSDOS-OAQYLSRUSA-N 1 0 371.484 4.227 40 0 FIABRO COc1ccc2c(c1)cc([C@@H]1CCC[NH2+]C1)nc2Nc1ncc(C)s1 ZINC000257225595 533305283 /nfs/dbraw/zinc/30/52/83/533305283.db2.gz FGXREQHZAXQAOH-CYBMUJFWSA-N 1 0 354.479 4.219 40 0 FIABRO Clc1nc2ccccc2c(N2CCCCC2)c1C[NH2+]C[C@H]1CCCO1 ZINC000005017407 132256360 /nfs/dbraw/zinc/25/63/60/132256360.db2.gz KOELIPIJQZKMQZ-OAHLLOKOSA-N 1 0 359.901 4.147 40 0 FIABRO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047294 222000273 /nfs/dbraw/zinc/00/02/73/222000273.db2.gz NCMGKNCTCMBIBG-UHFFFAOYSA-N 1 0 360.548 4.328 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)s1 ZINC000096061335 222007327 /nfs/dbraw/zinc/00/73/27/222007327.db2.gz VIVRIEMPWHCNKR-IBGZPJMESA-N 1 0 354.519 4.037 40 0 FIABRO COc1ccc(CN2CCC[C@]23CCC[N@H+](Cc2ccccc2)C3)cc1F ZINC000096214668 222079888 /nfs/dbraw/zinc/07/98/88/222079888.db2.gz NOQLDHLYGVSDET-QHCPKHFHSA-N 1 0 368.496 4.465 40 0 FIABRO COc1ccc(CN2CCC[C@@]23CCC[N@H+](Cc2ccccc2)C3)cc1F ZINC000096214667 222080378 /nfs/dbraw/zinc/08/03/78/222080378.db2.gz NOQLDHLYGVSDET-HSZRJFAPSA-N 1 0 368.496 4.465 40 0 FIABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000098213849 222231250 /nfs/dbraw/zinc/23/12/50/222231250.db2.gz IUWAHJWWMJPTOO-UHFFFAOYSA-N 1 0 372.431 4.224 40 0 FIABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010338576 263365136 /nfs/dbraw/zinc/36/51/36/263365136.db2.gz DXCQVVMGIJXHGO-UHFFFAOYSA-N 1 0 366.461 4.102 40 0 FIABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000219951717 568313007 /nfs/dbraw/zinc/31/30/07/568313007.db2.gz REDDMLSINLPQJG-UHFFFAOYSA-N 1 0 350.418 4.158 40 0 FIABRO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000032932458 568427307 /nfs/dbraw/zinc/42/73/07/568427307.db2.gz IUXWWYNSGXOWSA-DOJOMBEPSA-N 1 0 370.493 4.310 40 0 FIABRO Fc1cccc(-c2ccc3nc(C4CC[NH+](CC5CC5)CC4)nn3c2)c1 ZINC000096038213 570472755 /nfs/dbraw/zinc/47/27/55/570472755.db2.gz UTZACKPAIJTBRN-UHFFFAOYSA-N 1 0 350.441 4.125 40 0 FIABRO Fc1ccc(-c2cnc(Nc3ccc(C[C@@H]4CC[NH2+]C4)cn3)s2)cc1 ZINC000585262863 570481874 /nfs/dbraw/zinc/48/18/74/570481874.db2.gz MPPGLFSGYSXSFK-AWEZNQCLSA-N 1 0 354.454 4.240 40 0 FIABRO Cc1nc(Nc2ncc(-c3ccccc3)s2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000585263273 570481953 /nfs/dbraw/zinc/48/19/53/570481953.db2.gz UMLRGCQGXBOHJB-OAHLLOKOSA-N 1 0 351.479 4.119 40 0 FIABRO Cc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@H]1O ZINC000585283797 570493814 /nfs/dbraw/zinc/49/38/14/570493814.db2.gz COSSDLFOZSBRNG-QRVBRYPASA-N 1 0 366.288 4.362 40 0 FIABRO CN(C(=O)OCc1ccccc1)[C@H](CC[NH+]1CCCC1)c1ccccc1 ZINC000002581001 570525754 /nfs/dbraw/zinc/52/57/54/570525754.db2.gz XGVKYTVYIWTCCD-OAQYLSRUSA-N 1 0 352.478 4.482 40 0 FIABRO C[NH+](C)CCOC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC000002750667 570529789 /nfs/dbraw/zinc/52/97/89/570529789.db2.gz XCPSJSPFOHDFLZ-UHFFFAOYSA-N 1 0 355.478 4.282 40 0 FIABRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933433 570539153 /nfs/dbraw/zinc/53/91/53/570539153.db2.gz ILTYFJLVWKILFS-XLIONFOSSA-N 1 0 354.469 4.224 40 0 FIABRO O=C(c1ccccc1Cl)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408604910 570581442 /nfs/dbraw/zinc/58/14/42/570581442.db2.gz FUPCFROMGOZMAW-UHFFFAOYSA-N 1 0 354.881 4.003 40 0 FIABRO CC[C@@H](OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000004264068 570582313 /nfs/dbraw/zinc/58/23/13/570582313.db2.gz GUYVJQTTYAHQEU-DNQXCXABSA-N 1 0 367.533 4.470 40 0 FIABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000004264070 570582365 /nfs/dbraw/zinc/58/23/65/570582365.db2.gz GUYVJQTTYAHQEU-BJKOFHAPSA-N 1 0 367.533 4.470 40 0 FIABRO CCC[C@@H](C[NH+]1CCCCC1)[C@H](OC(=O)c1ccc(N)cc1)C(F)(F)F ZINC000004707337 570602332 /nfs/dbraw/zinc/60/23/32/570602332.db2.gz RURYPWLSKRBBFD-RDJZCZTQSA-N 1 0 372.431 4.259 40 0 FIABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2F)cc(-c2ccccc2)n1 ZINC000242694860 570609054 /nfs/dbraw/zinc/60/90/54/570609054.db2.gz CXRFSKZEOKZOGW-UHFFFAOYSA-N 1 0 369.419 4.139 40 0 FIABRO CCC(=O)N(c1ccccc1)[C@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000005458886 570627750 /nfs/dbraw/zinc/62/77/50/570627750.db2.gz MLQRZXNZHAOCHQ-UGKGYDQZSA-N 1 0 350.506 4.383 40 0 in-man FIABRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 ZINC000006517629 570648274 /nfs/dbraw/zinc/64/82/74/570648274.db2.gz AQRFNHLFTHNRHM-LFYBBSHMSA-N 1 0 369.896 4.134 40 0 FIABRO COc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)C ZINC000006882522 570656190 /nfs/dbraw/zinc/65/61/90/570656190.db2.gz PMXBHSSZXAZQDW-UHFFFAOYSA-N 1 0 351.082 4.108 40 0 FIABRO CSc1ccc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119079 570720061 /nfs/dbraw/zinc/72/00/61/570720061.db2.gz ZVTKEBXJTREFMV-MRXNPFEDSA-N 1 0 354.475 4.154 40 0 FIABRO CCn1cncc1CN(Cc1ccc(F)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012147056 570722813 /nfs/dbraw/zinc/72/28/13/570722813.db2.gz WJSBSGWPVRMMHN-UHFFFAOYSA-N 1 0 372.532 4.354 40 0 FIABRO C[C@H]1C[C@H](C)C[NH+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012227195 570729996 /nfs/dbraw/zinc/72/99/96/570729996.db2.gz SRXFMZPEYZDFJX-HOTGVXAUSA-N 1 0 370.497 4.321 40 0 FIABRO CC[NH+](CC)CCCNc1ncc(-c2ccsc2)c(-c2nccs2)n1 ZINC000012274900 570731826 /nfs/dbraw/zinc/73/18/26/570731826.db2.gz OUSPFFZQNFDGAB-UHFFFAOYSA-N 1 0 373.551 4.472 40 0 FIABRO COc1ccccc1C1(O)CC[NH+](Cc2c(C)oc3ccccc32)CC1 ZINC000012328154 570737313 /nfs/dbraw/zinc/73/73/13/570737313.db2.gz JNTLSMHYWHICFJ-UHFFFAOYSA-N 1 0 351.446 4.233 40 0 FIABRO Cc1nccc(-c2ccc(-c3noc(C[NH+]4[C@@H](C)CCC[C@@H]4C)n3)cc2)n1 ZINC000012337081 570737877 /nfs/dbraw/zinc/73/78/77/570737877.db2.gz BSOJNMAWSBVCCP-GJZGRUSLSA-N 1 0 363.465 4.265 40 0 FIABRO COc1ccccc1C1(O)CC[NH+](Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012344587 570738177 /nfs/dbraw/zinc/73/81/77/570738177.db2.gz YBDZASSWAPEPNW-UHFFFAOYSA-N 1 0 364.489 4.277 40 0 FIABRO Cc1ccc(C2(C[N@@H+]3CCC[C@@H](CN4CCCC4=O)C3)CCCC2)cc1 ZINC000012364537 570739283 /nfs/dbraw/zinc/73/92/83/570739283.db2.gz UDRNNVQODLEVBW-HXUWFJFHSA-N 1 0 354.538 4.141 40 0 FIABRO Cc1ccc(CSCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010328422 570831302 /nfs/dbraw/zinc/83/13/02/570831302.db2.gz BGPKTNRDWKKKJU-UHFFFAOYSA-N 1 0 368.546 4.254 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000224530903 570992286 /nfs/dbraw/zinc/99/22/86/570992286.db2.gz AXAUYVUWWMPKIZ-IBGZPJMESA-N 1 0 350.506 4.127 40 0 FIABRO CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787402 571000882 /nfs/dbraw/zinc/00/08/82/571000882.db2.gz DQOQVUYKMSHGGW-NRFANRHFSA-N 1 0 366.505 4.065 40 0 FIABRO O=C(Cc1cccc(Cl)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224851002 571002644 /nfs/dbraw/zinc/00/26/44/571002644.db2.gz WVWWUKAZQPHYPM-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000039767330 571023384 /nfs/dbraw/zinc/02/33/84/571023384.db2.gz SVRFUTXLEVIVET-UHFFFAOYSA-N 1 0 364.533 4.264 40 0 FIABRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220806 571028001 /nfs/dbraw/zinc/02/80/01/571028001.db2.gz LFGMAQSGUKMIMQ-MRXNPFEDSA-N 1 0 358.869 4.199 40 0 FIABRO COc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000028221086 571028032 /nfs/dbraw/zinc/02/80/32/571028032.db2.gz QHRXSLQARVPYFM-INIZCTEOSA-N 1 0 358.869 4.199 40 0 FIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225618485 571050153 /nfs/dbraw/zinc/05/01/53/571050153.db2.gz ZGAMDFUJBBDHKQ-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCCC1 ZINC000225654647 571053006 /nfs/dbraw/zinc/05/30/06/571053006.db2.gz SCHQZKXJIFSCMU-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225671885 571054341 /nfs/dbraw/zinc/05/43/41/571054341.db2.gz SSPSMPACPVFOGS-QFIPXVFZSA-N 1 0 374.525 4.085 40 0 FIABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225698832 571057028 /nfs/dbraw/zinc/05/70/28/571057028.db2.gz CKUAEIIIYKORFN-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 ZINC000225727458 571059579 /nfs/dbraw/zinc/05/95/79/571059579.db2.gz OOIKLAGQEALCPD-OKILXGFUSA-N 1 0 373.488 4.360 40 0 FIABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225723573 571059633 /nfs/dbraw/zinc/05/96/33/571059633.db2.gz QGCZSMREDLHKSB-JTSKRJEESA-N 1 0 374.525 4.084 40 0 FIABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225734937 571060410 /nfs/dbraw/zinc/06/04/10/571060410.db2.gz OJJHMCGEDXRJIB-OAQYLSRUSA-N 1 0 364.530 4.187 40 0 FIABRO C[NH+]1CCC(NC(=S)Nc2ccc(CSc3ccccc3)cc2)CC1 ZINC000225799845 571067181 /nfs/dbraw/zinc/06/71/81/571067181.db2.gz ZVXKQFLBPTYLOG-UHFFFAOYSA-N 1 0 371.575 4.360 40 0 FIABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000226170332 571076438 /nfs/dbraw/zinc/07/64/38/571076438.db2.gz ZANHFFQEVFCQHR-TXTKFYIRSA-N 1 0 367.533 4.174 40 0 FIABRO O=C(Nc1ccc2sncc2c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901202 571078753 /nfs/dbraw/zinc/07/87/53/571078753.db2.gz MSCCLSBGKPKVPH-MRXNPFEDSA-N 1 0 351.475 4.147 40 0 FIABRO COc1ccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904727 571078786 /nfs/dbraw/zinc/07/87/86/571078786.db2.gz XROCPUNIFKMKOC-KRWDZBQOSA-N 1 0 372.896 4.224 40 0 FIABRO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038857401 571088440 /nfs/dbraw/zinc/08/84/40/571088440.db2.gz BWECIMPOKJOUBX-QGZVFWFLSA-N 1 0 360.860 4.008 40 0 FIABRO CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044911251 571104965 /nfs/dbraw/zinc/10/49/65/571104965.db2.gz OFUKIYFVLJPRAF-QGZVFWFLSA-N 1 0 356.441 4.075 40 0 FIABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072345889 571179769 /nfs/dbraw/zinc/17/97/69/571179769.db2.gz XJXGFDWMBDRXQO-GOSISDBHSA-N 1 0 362.452 4.245 40 0 FIABRO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072349996 571181472 /nfs/dbraw/zinc/18/14/72/571181472.db2.gz SMNOFWAMIPHRCY-KRWDZBQOSA-N 1 0 350.441 4.001 40 0 FIABRO COc1ccccc1Cc1cccc(C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000072350102 571181768 /nfs/dbraw/zinc/18/17/68/571181768.db2.gz QIEPZZBTYPEEFD-UHFFFAOYSA-N 1 0 366.505 4.039 40 0 FIABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000072359246 571183818 /nfs/dbraw/zinc/18/38/18/571183818.db2.gz GZCBYYKDEWLJKI-LJQANCHMSA-N 1 0 361.493 4.165 40 0 FIABRO CCC[N@@H+]1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCOC ZINC000072370383 571185142 /nfs/dbraw/zinc/18/51/42/571185142.db2.gz OUVKQPKMPCPJIJ-MRXNPFEDSA-N 1 0 374.550 4.085 40 0 FIABRO CCC[N@@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371197 571185341 /nfs/dbraw/zinc/18/53/41/571185341.db2.gz DJJGZALKFKINQI-AWEZNQCLSA-N 1 0 367.415 4.249 40 0 FIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072379071 571187296 /nfs/dbraw/zinc/18/72/96/571187296.db2.gz APFACWXZPWWJTJ-IBGZPJMESA-N 1 0 350.441 4.306 40 0 FIABRO Cc1nccn1-c1cccc(C2CC[NH+](CCCc3ccccc3)CC2)n1 ZINC000072379114 571187711 /nfs/dbraw/zinc/18/77/11/571187711.db2.gz DFANHGYZLCAMSF-UHFFFAOYSA-N 1 0 360.505 4.388 40 0 FIABRO c1cc(COCC[C@H]2CCOC23CC[NH+](CC2CCCC2)CC3)ccn1 ZINC000585105514 571223702 /nfs/dbraw/zinc/22/37/02/571223702.db2.gz YSSVDNACMYAPII-NRFANRHFSA-N 1 0 358.526 4.050 40 0 FIABRO CC(C)[N@@H+]1Cc2ccccc2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000585105733 571223988 /nfs/dbraw/zinc/22/39/88/571223988.db2.gz PWAHRIJPRRVEMU-UHFFFAOYSA-N 1 0 362.517 4.014 40 0 FIABRO O=C1C[C@H]2[C@H](CC[N@@H+]2CC2CCCCC2)N1Cc1ccc(F)cc1Cl ZINC000585109034 571225426 /nfs/dbraw/zinc/22/54/26/571225426.db2.gz PGGOFUYGJLIKPQ-OALUTQOASA-N 1 0 364.892 4.235 40 0 FIABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000585182384 571238426 /nfs/dbraw/zinc/23/84/26/571238426.db2.gz BOFOXENPAOXIPH-INIZCTEOSA-N 1 0 372.476 4.036 40 0 FIABRO Fc1ccc(OCc2cc([C@@H]3CC[N@H+](CCc4ccccc4)C3)n[nH]2)cc1 ZINC000019738941 571304797 /nfs/dbraw/zinc/30/47/97/571304797.db2.gz ZDXTVHJFVBLJGJ-GOSISDBHSA-N 1 0 365.452 4.160 40 0 FIABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2C(=O)C1CCCC1 ZINC000019713480 571304841 /nfs/dbraw/zinc/30/48/41/571304841.db2.gz UDKBLMHXNXWUEP-GIWBLDEGSA-N 1 0 354.538 4.311 40 0 FIABRO Cc1nc2cc(-c3cccs3)nn2c(NCC(C)(C)C[NH+](C)C)c1C ZINC000001341048 219396849 /nfs/dbraw/zinc/39/68/49/219396849.db2.gz UGODZDORNQOVFI-UHFFFAOYSA-N 1 0 357.527 4.074 40 0 FIABRO S=C(NCCC[NH+]1CCCCCC1)Nc1cccc(Br)c1 ZINC000225398912 222837840 /nfs/dbraw/zinc/83/78/40/222837840.db2.gz HVUSPXUSGCZFMY-UHFFFAOYSA-N 1 0 370.360 4.002 40 0 FIABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000225728125 222864344 /nfs/dbraw/zinc/86/43/44/222864344.db2.gz CHLQNXMHHFDUBI-ZIAGYGMSSA-N 1 0 369.962 4.003 40 0 FIABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000226170382 222882146 /nfs/dbraw/zinc/88/21/46/222882146.db2.gz IDMDYWOMAWKGAQ-TXTKFYIRSA-N 1 0 367.533 4.459 40 0 FIABRO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@H+](Cc3cncs3)C2)o1 ZINC000257246242 223036043 /nfs/dbraw/zinc/03/60/43/223036043.db2.gz ITFZQXDPOCPHNB-OAHLLOKOSA-N 1 0 357.454 4.241 40 0 FIABRO Cc1cccnc1Nc1cncc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000257338533 223070734 /nfs/dbraw/zinc/07/07/34/223070734.db2.gz YXVNOROVCRWVSC-UHFFFAOYSA-N 1 0 359.477 4.303 40 0 FIABRO CC(C)(C)OC(=O)NCC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000015021502 220142865 /nfs/dbraw/zinc/14/28/65/220142865.db2.gz UNMSZWOPUVNUIK-UHFFFAOYSA-N 1 0 352.478 4.233 40 0 FIABRO CC1CC[NH+](CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000017813143 220217449 /nfs/dbraw/zinc/21/74/49/220217449.db2.gz YPZSRDPNOKYPDL-UHFFFAOYSA-N 1 0 350.506 4.134 40 0 FIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nc([C@H]3CCCCN3C)ncc2C1 ZINC000019014418 220233651 /nfs/dbraw/zinc/23/36/51/220233651.db2.gz BBTSNGLGZUNIKA-OVWUPXBPSA-N 1 0 362.521 4.095 40 0 FIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2C)cc1OC ZINC000019239549 220243471 /nfs/dbraw/zinc/24/34/71/220243471.db2.gz QXFAHLQQSDYZIG-VKGYTVAMSA-N 1 0 366.505 4.469 40 0 FIABRO Cc1ccccc1-c1ncc(C[NH+]2CCC(O)(c3ccccc3C)CC2)cn1 ZINC000019237544 220243805 /nfs/dbraw/zinc/24/38/05/220243805.db2.gz JMELLYPJPSYKNN-UHFFFAOYSA-N 1 0 373.500 4.244 40 0 FIABRO OC1(c2cccnc2F)CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000019330874 220252022 /nfs/dbraw/zinc/25/20/22/220252022.db2.gz IMIWFZYUKHCRLF-UHFFFAOYSA-N 1 0 370.468 4.026 40 0 FIABRO C[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000019457397 220258315 /nfs/dbraw/zinc/25/83/15/220258315.db2.gz YZAGXEGBZZZUBE-MRXNPFEDSA-N 1 0 374.916 4.187 40 0 FIABRO CCCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cn1 ZINC000019525791 220268910 /nfs/dbraw/zinc/26/89/10/220268910.db2.gz YALMPFORSXQCOG-MQFRRQCYSA-N 1 0 365.521 4.500 40 0 FIABRO CCCc1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019525782 220269729 /nfs/dbraw/zinc/26/97/29/220269729.db2.gz OAEHIPJFFLNJFH-NPDDRXJXSA-N 1 0 351.494 4.110 40 0 FIABRO COc1ccc2c(c1)C[C@@H](c1cccnc1OC)[NH2+][C@H]2[C@H]1CC=CCC1 ZINC000019562557 220273043 /nfs/dbraw/zinc/27/30/43/220273043.db2.gz AFKBBASLJUWZNQ-JHVJFLLYSA-N 1 0 350.462 4.383 40 0 FIABRO COc1c(C)cc(C(=O)N2CCC[C@@H](c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC000019570060 220274230 /nfs/dbraw/zinc/27/42/30/220274230.db2.gz XGBYSLMQDZPVHI-MRXNPFEDSA-N 1 0 363.461 4.208 40 0 FIABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)[C@@H]1CC=CCC1)Cc1ccccc1O2 ZINC000019583970 220275744 /nfs/dbraw/zinc/27/57/44/220275744.db2.gz ORXINVIVBLZODD-TWEIKEKHSA-N 1 0 368.521 4.007 40 0 FIABRO COc1ccc(-c2[nH]c3ncccc3c2C[N@H+](C)Cc2ccncc2)cc1 ZINC000019586601 220277349 /nfs/dbraw/zinc/27/73/49/220277349.db2.gz AXYZDZNPSXNAPG-UHFFFAOYSA-N 1 0 358.445 4.266 40 0 FIABRO CCOc1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000022510940 220388908 /nfs/dbraw/zinc/38/89/08/220388908.db2.gz YGKFXHUFWGGCDG-GOSISDBHSA-N 1 0 366.505 4.247 40 0 FIABRO C[C@@H]1CN(CCCOC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C(C)(C)C ZINC000022584721 220391756 /nfs/dbraw/zinc/39/17/56/220391756.db2.gz ADBGGFMEKSYLLE-OAHLLOKOSA-N 1 0 367.921 4.083 40 0 FIABRO O=C(CCSc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030551622 220620258 /nfs/dbraw/zinc/62/02/58/220620258.db2.gz KMDYPKQYNWCAGS-UHFFFAOYSA-N 1 0 368.546 4.471 40 0 FIABRO Nc1cc(Cl)ccc1N[C@@H](C[NH3+])c1ncc(C(F)(F)F)cc1Cl ZINC000064220216 221146812 /nfs/dbraw/zinc/14/68/12/221146812.db2.gz XTUWBUPVTJVNET-LBPRGKRZSA-N 1 0 365.186 4.101 40 0 FIABRO CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]CC3CC3)C2(C)C)no1)c1ccccc1 ZINC000067890352 221301416 /nfs/dbraw/zinc/30/14/16/221301416.db2.gz VOAOFKWPIFHQMK-UTKZUKDTSA-N 1 0 353.510 4.268 40 0 biogenic,in-vitro FIABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)s3)CC2)c2ccccc21 ZINC000096052576 222002495 /nfs/dbraw/zinc/00/24/95/222002495.db2.gz BOVZGORVCYSDEQ-QGZVFWFLSA-N 1 0 368.546 4.214 40 0 FIABRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)s1 ZINC000096058701 222006496 /nfs/dbraw/zinc/00/64/96/222006496.db2.gz WPDMUQIBBWVIKD-UHFFFAOYSA-N 1 0 353.466 4.253 40 0 FIABRO COC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2cn(CC3CCCC3)nc21 ZINC000096059993 222007489 /nfs/dbraw/zinc/00/74/89/222007489.db2.gz GADGCXDZAZVWAL-GOSISDBHSA-N 1 0 359.539 4.189 40 0 FIABRO O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000096070988 222012806 /nfs/dbraw/zinc/01/28/06/222012806.db2.gz SOUJZVURYULEHG-UHFFFAOYSA-N 1 0 368.908 4.007 40 0 FIABRO C[C@H]1C[C@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242454 222097003 /nfs/dbraw/zinc/09/70/03/222097003.db2.gz BKFQWENQZBTOIE-GHTZIAJQSA-N 1 0 366.549 4.209 40 0 FIABRO Cc1noc(C)c1CN1CCC[C@]2(CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000096215998 222081416 /nfs/dbraw/zinc/08/14/16/222081416.db2.gz ZFEIZNGRGAALSB-QFIPXVFZSA-N 1 0 353.510 4.088 40 0 FIABRO CCCC[NH+](CCCC)C[C@](C)(O)CNc1cc(OC)cc2cccnc21 ZINC000005837785 263343678 /nfs/dbraw/zinc/34/36/78/263343678.db2.gz HTFQGDNSKYUEPU-JOCHJYFZSA-N 1 0 373.541 4.309 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)c1 ZINC000039750334 263399278 /nfs/dbraw/zinc/39/92/78/263399278.db2.gz LAQLTGCCMZTOAW-UHFFFAOYSA-N 1 0 368.496 4.095 40 0 FIABRO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039744742 263399404 /nfs/dbraw/zinc/39/94/04/263399404.db2.gz CKYBPBUBQHYEPD-GOSISDBHSA-N 1 0 368.496 4.175 40 0 FIABRO Fc1ccc(C[N@@H+]2C[C@@H]3Cc4cnc(Nc5ccccc5)nc4[C@H]3C2)cc1 ZINC000306131148 534465751 /nfs/dbraw/zinc/46/57/51/534465751.db2.gz JXUSTSWZHHXBMD-PXNSSMCTSA-N 1 0 360.436 4.131 40 0 FIABRO c1ccc(CC[NH+]2CCC(c3cccc(Nc4ncccn4)n3)CC2)cc1 ZINC000257291720 534487014 /nfs/dbraw/zinc/48/70/14/534487014.db2.gz QIIOXRNETFUYIJ-UHFFFAOYSA-N 1 0 359.477 4.037 40 0 FIABRO CCOc1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020035181 521500491 /nfs/dbraw/zinc/50/04/91/521500491.db2.gz APPKBGNKAGPWKH-UHFFFAOYSA-N 1 0 366.505 4.247 40 0 FIABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020039560 525423264 /nfs/dbraw/zinc/42/32/64/525423264.db2.gz XBPXVLPROVBDEL-UHFFFAOYSA-N 1 0 366.505 4.036 40 0 FIABRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3ccccc32)nc1 ZINC000257251595 526814692 /nfs/dbraw/zinc/81/46/92/526814692.db2.gz JRKLXFGOARQQOI-QHCPKHFHSA-N 1 0 359.473 4.208 40 0 FIABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257206111 529019623 /nfs/dbraw/zinc/01/96/23/529019623.db2.gz BBXBGMPSAQHMMK-QGZVFWFLSA-N 1 0 357.498 4.329 40 0 FIABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000216345229 568118963 /nfs/dbraw/zinc/11/89/63/568118963.db2.gz GXMSGDIVFOOPDI-QGZVFWFLSA-N 1 0 354.947 4.203 40 0 FIABRO CC1(C)N(O[C@@H]2CCCCO2)[C@@H](c2ccccc2)C(c2ccccc2)[N+]1=O ZINC000001650755 570503578 /nfs/dbraw/zinc/50/35/78/570503578.db2.gz GAMOJAJDLUVODK-CTNGQTDRSA-N 1 0 366.461 4.237 40 0 FIABRO CSc1ccccc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408612258 570581292 /nfs/dbraw/zinc/58/12/92/570581292.db2.gz VBXAOLKRMVMGFX-UHFFFAOYSA-N 1 0 366.530 4.071 40 0 FIABRO CC[NH+](CC)CCOC(=O)[C@](O)(C1CCCCC1)C1[C@@H](C)CCC[C@@H]1C ZINC000005047934 570619232 /nfs/dbraw/zinc/61/92/32/570619232.db2.gz QLRZGUBJCXPDGG-SPEDKVCISA-N 1 0 367.574 4.255 40 0 FIABRO COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000005762126 570635213 /nfs/dbraw/zinc/63/52/13/570635213.db2.gz OTCWVYFQGYOYJO-UHFFFAOYSA-N 1 0 369.546 4.475 40 0 FIABRO CCc1cc2cc(OC)c(OC)cc2nc1SCC[NH+]1CCCCC1 ZINC000004858667 570671427 /nfs/dbraw/zinc/67/14/27/570671427.db2.gz XWIJWDOJVFHKBG-UHFFFAOYSA-N 1 0 360.523 4.392 40 0 FIABRO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008253179 570679067 /nfs/dbraw/zinc/67/90/67/570679067.db2.gz WZOWWMUDAXMZOR-UHFFFAOYSA-N 1 0 363.885 4.444 40 0 FIABRO CC[C@@H](CO)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008326382 570680352 /nfs/dbraw/zinc/68/03/52/570680352.db2.gz IUAGYMHVMUIQSI-INIZCTEOSA-N 1 0 354.277 4.433 40 0 FIABRO CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008337113 570680855 /nfs/dbraw/zinc/68/08/55/570680855.db2.gz IUAGYMHVMUIQSI-MRXNPFEDSA-N 1 0 354.277 4.433 40 0 FIABRO COc1ccccc1C1([NH2+]Cc2cncn2Cc2ccccc2)CCCC1 ZINC000012116981 570719650 /nfs/dbraw/zinc/71/96/50/570719650.db2.gz NMRBDOPJLDWXKC-UHFFFAOYSA-N 1 0 361.489 4.499 40 0 FIABRO O[C@@]1(c2ccc(F)cc2)CCC[N@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012143578 570721809 /nfs/dbraw/zinc/72/18/09/570721809.db2.gz QOSQEVMEQRHQLW-FQEVSTJZSA-N 1 0 371.481 4.151 40 0 FIABRO COc1ccc(C[N@@H+](Cc2c(C)oc3ccccc32)C[C@H](C)O)cc1OC ZINC000012185529 570724733 /nfs/dbraw/zinc/72/47/33/570724733.db2.gz IGBGSHSQATVZLB-HNNXBMFYSA-N 1 0 369.461 4.141 40 0 FIABRO COc1cc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)cc(OC)c1 ZINC000012188677 570725281 /nfs/dbraw/zinc/72/52/81/570725281.db2.gz KJEUKRLUJJQJGA-UHFFFAOYSA-N 1 0 363.461 4.027 40 0 FIABRO FC(F)(F)c1ccccc1C[NH+]1CCC(c2[nH]nc3ncccc32)CC1 ZINC000012221867 570728939 /nfs/dbraw/zinc/72/89/39/570728939.db2.gz GYZVAJDCBQZUEF-UHFFFAOYSA-N 1 0 360.383 4.356 40 0 FIABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012227174 570730048 /nfs/dbraw/zinc/73/00/48/570730048.db2.gz SRXFMZPEYZDFJX-HZPDHXFCSA-N 1 0 370.497 4.321 40 0 FIABRO COCCn1cc(C[NH2+]C2(c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000012238656 570730542 /nfs/dbraw/zinc/73/05/42/570730542.db2.gz LJNGANKDMOMGNO-UHFFFAOYSA-N 1 0 350.462 4.075 40 0 FIABRO O=C(C1CCCCC1)N1CCCc2cc([C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291535 570732390 /nfs/dbraw/zinc/73/23/90/570732390.db2.gz RKZKJGOZRZTSJS-JOCHJYFZSA-N 1 0 370.537 4.065 40 0 FIABRO CCCc1ccc(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)s1 ZINC000012330699 570737405 /nfs/dbraw/zinc/73/74/05/570737405.db2.gz MZZCXFAGFUQPML-UHFFFAOYSA-N 1 0 374.525 4.467 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCc2ccc(F)cc2)CC1 ZINC000009062547 570802149 /nfs/dbraw/zinc/80/21/49/570802149.db2.gz RFKJSYDUVPSHJX-UHFFFAOYSA-N 1 0 368.496 4.095 40 0 FIABRO O[C@H](C[NH2+]C1CCCCC1)COCC(c1ccccc1)c1ccccc1 ZINC000040373182 570842366 /nfs/dbraw/zinc/84/23/66/570842366.db2.gz GTOZFTXRFQBFTC-JOCHJYFZSA-N 1 0 353.506 4.118 40 0 FIABRO Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000017074049 570869282 /nfs/dbraw/zinc/86/92/82/570869282.db2.gz IHYORXYSSTVOEW-UHFFFAOYSA-N 1 0 358.869 4.262 40 0 FIABRO CCc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024115499 570972361 /nfs/dbraw/zinc/97/23/61/570972361.db2.gz UCRXRIZZMFNNHZ-UHFFFAOYSA-N 1 0 350.506 4.094 40 0 FIABRO C[C@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000224536513 570992807 /nfs/dbraw/zinc/99/28/07/570992807.db2.gz MGCYNLPGSPQDGA-QGZVFWFLSA-N 1 0 370.924 4.472 40 0 FIABRO CC(C)c1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224635827 570995549 /nfs/dbraw/zinc/99/55/49/570995549.db2.gz BYMWGJYBCWLPEL-UHFFFAOYSA-N 1 0 366.505 4.101 40 0 FIABRO CC(C)Oc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224687164 570997504 /nfs/dbraw/zinc/99/75/04/570997504.db2.gz BNUFMIODFWHJLP-UHFFFAOYSA-N 1 0 366.505 4.390 40 0 FIABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787462 571000937 /nfs/dbraw/zinc/00/09/37/571000937.db2.gz SUZRUEGEGVLOTO-JOCHJYFZSA-N 1 0 366.505 4.065 40 0 FIABRO CC(=O)OC[C@H](O)[C@H](CC(C)C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026896798 571008731 /nfs/dbraw/zinc/00/87/31/571008731.db2.gz LWTGIEFUTRCWQS-GOTSBHOMSA-N 1 0 369.505 4.028 40 0 FIABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CCCC2)cc1 ZINC000225512494 571041712 /nfs/dbraw/zinc/04/17/12/571041712.db2.gz AZSGITSGBUPGSY-UHFFFAOYSA-N 1 0 366.505 4.386 40 0 FIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225612002 571049621 /nfs/dbraw/zinc/04/96/21/571049621.db2.gz IMCKGRUPIIFJCN-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO CC(=O)Nc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000030943581 571052746 /nfs/dbraw/zinc/05/27/46/571052746.db2.gz DQYYZGHDDJJCKS-INIZCTEOSA-N 1 0 365.477 4.129 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCC1 ZINC000225706901 571057628 /nfs/dbraw/zinc/05/76/28/571057628.db2.gz MPPOWVKJPOJCOB-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225714696 571058495 /nfs/dbraw/zinc/05/84/95/571058495.db2.gz DKEJASXHTQGJHX-GCJKJVERSA-N 1 0 374.525 4.085 40 0 FIABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225738311 571060875 /nfs/dbraw/zinc/06/08/75/571060875.db2.gz OBDRTSOYPLTUAK-NRFANRHFSA-N 1 0 364.530 4.331 40 0 FIABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000225902295 571078768 /nfs/dbraw/zinc/07/87/68/571078768.db2.gz KXPXDLPUFPXZEO-VQIMIIECSA-N 1 0 356.897 4.429 40 0 FIABRO O=C([C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCCC1 ZINC000038832693 571086596 /nfs/dbraw/zinc/08/65/96/571086596.db2.gz POFDSRRVVUOTFI-AWEZNQCLSA-N 1 0 355.309 4.218 40 0 FIABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCCCC1 ZINC000038832690 571086735 /nfs/dbraw/zinc/08/67/35/571086735.db2.gz XRRXYNAOSYOMSQ-OAHLLOKOSA-N 1 0 355.309 4.218 40 0 FIABRO O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Cn2ccnc2)cc1 ZINC000038848680 571087663 /nfs/dbraw/zinc/08/76/63/571087663.db2.gz RDMAOIPVNLJJAP-UHFFFAOYSA-N 1 0 360.244 4.168 40 0 FIABRO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848602 571087868 /nfs/dbraw/zinc/08/78/68/571087868.db2.gz WCMMBMMICGFYIJ-QGZVFWFLSA-N 1 0 360.860 4.008 40 0 FIABRO Cc1cccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000260841575 571124229 /nfs/dbraw/zinc/12/42/29/571124229.db2.gz AKBXXMFGZOGURJ-IBGZPJMESA-N 1 0 366.505 4.036 40 0 FIABRO COc1ccc(-c2cccc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)cc1 ZINC000072350081 571181285 /nfs/dbraw/zinc/18/12/85/571181285.db2.gz BOJHEGJNVAJHBZ-SFHVURJKSA-N 1 0 352.478 4.116 40 0 FIABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072354669 571182461 /nfs/dbraw/zinc/18/24/61/571182461.db2.gz YYILGALBTFFQKU-SFHVURJKSA-N 1 0 365.868 4.111 40 0 FIABRO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)c1 ZINC000072357682 571182771 /nfs/dbraw/zinc/18/27/71/571182771.db2.gz UUOAMTFAKLIYOI-HSZRJFAPSA-N 1 0 359.473 4.413 40 0 FIABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072379068 571187304 /nfs/dbraw/zinc/18/73/04/571187304.db2.gz BAHRSIPDOSGRBL-IBGZPJMESA-N 1 0 361.493 4.165 40 0 FIABRO c1cncc(COCC[C@H]2CCOC23CC[NH+](CC2CCCC2)CC3)c1 ZINC000585103603 571222566 /nfs/dbraw/zinc/22/25/66/571222566.db2.gz BXWXOCZSJYREDO-NRFANRHFSA-N 1 0 358.526 4.050 40 0 FIABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000585182533 571238366 /nfs/dbraw/zinc/23/83/66/571238366.db2.gz GCBJPMYMECXTLG-KRWDZBQOSA-N 1 0 372.476 4.036 40 0 FIABRO C[C@H]1CCC[N@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)[C@H]1C ZINC000247883934 571290924 /nfs/dbraw/zinc/29/09/24/571290924.db2.gz SGHMKUYXKPWNIZ-HOTGVXAUSA-N 1 0 370.497 4.464 40 0 FIABRO Cc1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc(C)c1OCc1ccccc1 ZINC000095095394 571328621 /nfs/dbraw/zinc/32/86/21/571328621.db2.gz SXMJNEUMSGXMEE-SFHVURJKSA-N 1 0 363.461 4.399 40 0 FIABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260529544 1088887843 /nfs/dbraw/zinc/88/78/43/1088887843.db2.gz HTGICZVNLJPYDU-UXHICEINSA-N 1 0 360.542 4.232 40 0 FIABRO CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CC[NH+](CC2CC2)CC1 ZINC000257276736 529841262 /nfs/dbraw/zinc/84/12/62/529841262.db2.gz NUWZFVISJHFRGT-UHFFFAOYSA-N 1 0 368.546 4.196 40 0 FIABRO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000223191580 222768228 /nfs/dbraw/zinc/76/82/28/222768228.db2.gz CLQUZNHKDGTLGM-GOSISDBHSA-N 1 0 366.505 4.093 40 0 FIABRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000224536802 222815126 /nfs/dbraw/zinc/81/51/26/222815126.db2.gz MBHYTRSNPIYQHZ-UHFFFAOYSA-N 1 0 366.505 4.310 40 0 FIABRO CC[NH+](CC)CCOC(=O)C(OC(C)C)(c1ccccc1)c1ccccc1 ZINC000001608962 219412578 /nfs/dbraw/zinc/41/25/78/219412578.db2.gz UXCDAGQOMQKUDH-UHFFFAOYSA-N 1 0 369.505 4.240 40 0 FIABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1 ZINC000225630537 222856313 /nfs/dbraw/zinc/85/63/13/222856313.db2.gz JXAOOSMYGSHIRX-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225698768 222862261 /nfs/dbraw/zinc/86/22/61/222862261.db2.gz HNSXOBMMZPJXOY-OAQYLSRUSA-N 1 0 364.530 4.331 40 0 FIABRO Cc1cc(C)nc(Nc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)n1 ZINC000257224863 223028374 /nfs/dbraw/zinc/02/83/74/223028374.db2.gz FDSZTHXJTYRPGI-FQEVSTJZSA-N 1 0 374.492 4.354 40 0 FIABRO Cc1ccc(C(=O)N2CCC[C@H]2c2ccnc(C[NH+]3CCCC3)c2)s1 ZINC000257244403 223034306 /nfs/dbraw/zinc/03/43/06/223034306.db2.gz ILCZIUJZURCYFM-SFHVURJKSA-N 1 0 355.507 4.025 40 0 FIABRO Cc1cccnc1Nc1cncc(C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000257283593 223049334 /nfs/dbraw/zinc/04/93/34/223049334.db2.gz OYXSKLFGNZGAMW-UHFFFAOYSA-N 1 0 373.504 4.346 40 0 FIABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3ccncc3C)C2)n1 ZINC000257323288 223065742 /nfs/dbraw/zinc/06/57/42/223065742.db2.gz WJNBCRFTLLKTAF-GOSISDBHSA-N 1 0 362.477 4.121 40 0 FIABRO O=c1oc2ccc(Cl)cc2n1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000013266038 220062592 /nfs/dbraw/zinc/06/25/92/220062592.db2.gz SUJSXYZQEAWTOG-UHFFFAOYSA-N 1 0 360.816 4.224 40 0 FIABRO CCc1oc2ccccc2c1CN(CCC[NH+](C)C)Cc1ccccn1 ZINC000013990791 220101746 /nfs/dbraw/zinc/10/17/46/220101746.db2.gz FMRVTINCJAZQMC-UHFFFAOYSA-N 1 0 351.494 4.344 40 0 FIABRO Cc1cccc(-c2cc(C[NH2+]Cc3ccccc3Cl)c3nnnn3c2)c1 ZINC000019235307 220241969 /nfs/dbraw/zinc/24/19/69/220241969.db2.gz AXNJWGHGSODEIP-UHFFFAOYSA-N 1 0 363.852 4.043 40 0 FIABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4sccc4C)o3)CC2)c1 ZINC000019238726 220242596 /nfs/dbraw/zinc/24/25/96/220242596.db2.gz PEHSANYCIOHLHA-UHFFFAOYSA-N 1 0 369.490 4.495 40 0 FIABRO Cc1ccsc1C[N@H+](Cc1cccc(Oc2ncccn2)c1)C[C@H](C)O ZINC000019238594 220242826 /nfs/dbraw/zinc/24/28/26/220242826.db2.gz GDRAHUQFNOFUEK-INIZCTEOSA-N 1 0 369.490 4.022 40 0 FIABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2C)cc1OC ZINC000019239548 220243945 /nfs/dbraw/zinc/24/39/45/220243945.db2.gz QXFAHLQQSDYZIG-ZZTDLJEGSA-N 1 0 366.505 4.469 40 0 FIABRO Cn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)cn1 ZINC000019290698 220246143 /nfs/dbraw/zinc/24/61/43/220246143.db2.gz DSMHUVRHIWQJOG-LJQANCHMSA-N 1 0 354.429 4.332 40 0 FIABRO c1ccc2c(C[NH+]3CCC(c4nnc(-c5cccnc5)o4)CC3)ccnc2c1 ZINC000019376071 220255694 /nfs/dbraw/zinc/25/56/94/220255694.db2.gz YBPLTLWAJFYHSR-UHFFFAOYSA-N 1 0 371.444 4.059 40 0 FIABRO C[C@@H](CC[N@@H+]1CCc2nc([C@@H]3CCCCN3C)ncc2C1)c1ccccc1 ZINC000019455719 220257053 /nfs/dbraw/zinc/25/70/53/220257053.db2.gz XMIGJZFWLPJIND-AVRDEDQJSA-N 1 0 364.537 4.185 40 0 FIABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1OC ZINC000019561439 220273838 /nfs/dbraw/zinc/27/38/38/220273838.db2.gz AINVUQRLJAEZAP-UBBRYJJRSA-N 1 0 352.478 4.161 40 0 FIABRO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019686994 220285958 /nfs/dbraw/zinc/28/59/58/220285958.db2.gz XLYKKHSVQUWGII-JOCHJYFZSA-N 1 0 364.468 4.191 40 0 FIABRO CN(C)CC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022075921 220377085 /nfs/dbraw/zinc/37/70/85/220377085.db2.gz KOBASWSXCLAJAF-UHFFFAOYSA-N 1 0 352.453 4.209 40 0 FIABRO Cc1ccc(OCCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024115212 220442967 /nfs/dbraw/zinc/44/29/67/220442967.db2.gz PCDGAVVIUIFXPR-UHFFFAOYSA-N 1 0 366.505 4.066 40 0 FIABRO O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000067508821 221257929 /nfs/dbraw/zinc/25/79/29/221257929.db2.gz PRBGVVRMCWBLFH-UHFFFAOYSA-N 1 0 364.474 4.053 40 0 FIABRO Cc1cc(N2CC[NH2+]CC2)c2c(Cl)ccc(Oc3ccccc3)c2n1 ZINC000225322296 132284387 /nfs/dbraw/zinc/28/43/87/132284387.db2.gz NZRWUUJRHOTICF-UHFFFAOYSA-N 1 0 353.853 4.399 40 0 FIABRO CC[C@H](C)Nc1cc(N2CCc3cc(OC)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329031246 132372778 /nfs/dbraw/zinc/37/27/78/132372778.db2.gz QIBOOBYQSCSXIB-HNNXBMFYSA-N 1 0 354.498 4.382 40 0 FIABRO Cc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329051450 132372997 /nfs/dbraw/zinc/37/29/97/132372997.db2.gz UXNBUXWWVOXGHU-HNNXBMFYSA-N 1 0 366.509 4.146 40 0 FIABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000096156967 222058099 /nfs/dbraw/zinc/05/80/99/222058099.db2.gz QQZRCYLUBAEFES-RJGXRXQPSA-N 1 0 354.453 4.141 40 0 FIABRO Fc1ccc(Cc2cnc([C@H]3CCC[N@H+](Cc4cccnc4)C3)o2)cc1 ZINC000257343380 534473435 /nfs/dbraw/zinc/47/34/35/534473435.db2.gz ZSSVVIFEBXWPLT-SFHVURJKSA-N 1 0 351.425 4.179 40 0 FIABRO COc1ccc(CN(C)C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020044423 523999621 /nfs/dbraw/zinc/99/96/21/523999621.db2.gz YMQPXELWEAUWNF-SFHVURJKSA-N 1 0 366.505 4.199 40 0 FIABRO COc1ccc(CN(C)C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020044421 524000257 /nfs/dbraw/zinc/00/02/57/524000257.db2.gz YMQPXELWEAUWNF-GOSISDBHSA-N 1 0 366.505 4.199 40 0 FIABRO CCCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O ZINC000257285456 528444087 /nfs/dbraw/zinc/44/40/87/528444087.db2.gz PHDBJEUNUJQNQZ-WXFUMESZSA-N 1 0 366.549 4.313 40 0 FIABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000225489532 560042654 /nfs/dbraw/zinc/04/26/54/560042654.db2.gz RTSNLYQCPGIYJA-SFHVURJKSA-N 1 0 356.853 4.380 40 0 biogenic,in-vitro FIABRO COc1cc2c(cc1OC)[C@H]([C@@]13C[C@H]4C[C@@H](C1)C[C@](Cl)(C4)C3)[NH2+]CC2 ZINC000217361759 568179497 /nfs/dbraw/zinc/17/94/97/568179497.db2.gz HSDXWRHEZLIHTH-QBMNRHOTSA-N 1 0 361.913 4.468 40 0 FIABRO CC[NH+](CC)CCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C ZINC000096037358 570472507 /nfs/dbraw/zinc/47/25/07/570472507.db2.gz HYZOPEKNKNZIMK-UHFFFAOYSA-N 1 0 368.525 4.176 40 0 FIABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000585289715 570495506 /nfs/dbraw/zinc/49/55/06/570495506.db2.gz VXQIQQQJZWGAEH-IPMKNSEASA-N 1 0 366.288 4.444 40 0 FIABRO CC[NH+](CC)C[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc21 ZINC000001671912 570503935 /nfs/dbraw/zinc/50/39/35/570503935.db2.gz CFPGDXVOLYZBLM-QFIPXVFZSA-N 1 0 350.462 4.286 40 0 FIABRO COC(=O)c1cccc(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)c1 ZINC000408583885 570563363 /nfs/dbraw/zinc/56/33/63/570563363.db2.gz YGCBQRAPHZOLQH-UHFFFAOYSA-N 1 0 372.509 4.379 40 0 FIABRO C[NH+](C)CCCN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1 ZINC000004188859 570580929 /nfs/dbraw/zinc/58/09/29/570580929.db2.gz UKOHEKHUXHXZTA-UHFFFAOYSA-N 1 0 371.531 4.470 40 0 FIABRO O=C(c1ccccc1Cl)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613038 570581767 /nfs/dbraw/zinc/58/17/67/570581767.db2.gz WPSMVJPQHIKWHI-GOSISDBHSA-N 1 0 354.881 4.003 40 0 FIABRO CCC[C@H](C[NH+]1CCCCC1)[C@@H](OC(=O)c1ccc(N)cc1)C(F)(F)F ZINC000004707340 570602321 /nfs/dbraw/zinc/60/23/21/570602321.db2.gz RURYPWLSKRBBFD-NVXWUHKLSA-N 1 0 372.431 4.259 40 0 FIABRO CNC(=O)O[C@@H]1CCC[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000005082898 570620889 /nfs/dbraw/zinc/62/08/89/570620889.db2.gz MTSKCWQNZUQOHN-LEWJYISDSA-N 1 0 352.478 4.356 40 0 FIABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260492788 570630944 /nfs/dbraw/zinc/63/09/44/570630944.db2.gz VRDZNDFQOOMGSS-AEFFLSMTSA-N 1 0 366.933 4.268 40 0 FIABRO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005875301 570637536 /nfs/dbraw/zinc/63/75/36/570637536.db2.gz DSOCMSSZHZEROG-HUIQTFQGSA-N 1 0 357.538 4.282 40 0 FIABRO Cc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004856767 570671378 /nfs/dbraw/zinc/67/13/78/570671378.db2.gz UPPFCJZRJAQWLZ-SEJPIABJSA-N 1 0 365.546 4.477 40 0 FIABRO CC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008227140 570678630 /nfs/dbraw/zinc/67/86/30/570678630.db2.gz QLFLBAOPQMMSDD-UHFFFAOYSA-N 1 0 350.256 4.146 40 0 FIABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008253146 570679020 /nfs/dbraw/zinc/67/90/20/570679020.db2.gz TUNCPVJAPPHHNQ-UHFFFAOYSA-N 1 0 363.885 4.444 40 0 FIABRO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCc1ccccc1 ZINC000008326291 570680266 /nfs/dbraw/zinc/68/02/66/570680266.db2.gz NCRQKIDEBDZCKR-KRWDZBQOSA-N 1 0 363.885 4.178 40 0 FIABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008337095 570680701 /nfs/dbraw/zinc/68/07/01/570680701.db2.gz OBULWXKZHUQARQ-MRXNPFEDSA-N 1 0 354.277 4.433 40 0 FIABRO C[C@H]([NH2+]CCN(C)C)[C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000036370928 570696816 /nfs/dbraw/zinc/69/68/16/570696816.db2.gz OQLPSYJNZRYLOQ-QKBRXQIZSA-N 1 0 370.581 4.404 40 0 FIABRO Cc1ccccc1CSCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010327880 570700436 /nfs/dbraw/zinc/70/04/36/570700436.db2.gz ORVSREXULSTOKO-UHFFFAOYSA-N 1 0 368.546 4.254 40 0 FIABRO OC1(c2ccccc2F)C[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccccc1 ZINC000012144504 570722536 /nfs/dbraw/zinc/72/25/36/570722536.db2.gz GDJZQDGBGLRMFP-VSOVRNOCSA-N 1 0 355.453 4.109 40 0 FIABRO Cc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)n1C ZINC000012147057 570722647 /nfs/dbraw/zinc/72/26/47/570722647.db2.gz OZVLFGJYZQYZDG-UHFFFAOYSA-N 1 0 372.532 4.179 40 0 FIABRO O=C(NC1CC[NH+](C[C@H](c2ccccc2)C2CCCCC2)CC1)C1CC1 ZINC000012188794 570725340 /nfs/dbraw/zinc/72/53/40/570725340.db2.gz NRAZFRMEXQVDHT-JOCHJYFZSA-N 1 0 354.538 4.341 40 0 FIABRO CCCOc1cc2c(cc1C[N@H+](C)Cc1cccc3ncccc13)OCO2 ZINC000012191751 570725890 /nfs/dbraw/zinc/72/58/90/570725890.db2.gz VRZGWBOWHSRXHJ-UHFFFAOYSA-N 1 0 364.445 4.384 40 0 FIABRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OC)c(OCCOC)c1 ZINC000012241221 570731020 /nfs/dbraw/zinc/73/10/20/570731020.db2.gz QRVYKBPVWIKCML-KRWDZBQOSA-N 1 0 361.507 4.291 40 0 FIABRO COc1ccc(C2([NH2+]Cc3ccc(N4CCCC4=O)cc3)CCCC2)cc1 ZINC000012292759 570732219 /nfs/dbraw/zinc/73/22/19/570732219.db2.gz VLPKMCDAUWXTGO-UHFFFAOYSA-N 1 0 364.489 4.381 40 0 FIABRO COc1cccc(-c2ccc(C[NH+]3CCC(O)(c4cccnc4)CC3)cc2)c1 ZINC000012363698 570738577 /nfs/dbraw/zinc/73/85/77/570738577.db2.gz OWIIXDYUCJUMHL-UHFFFAOYSA-N 1 0 374.484 4.241 40 0 FIABRO C[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008377317 570795464 /nfs/dbraw/zinc/79/54/64/570795464.db2.gz JGWFPQBAAJODHK-UHFFFAOYSA-N 1 0 370.674 4.410 40 0 FIABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Br)c1OC ZINC000008469838 570795948 /nfs/dbraw/zinc/79/59/48/570795948.db2.gz GQLPMFLNHYVEHP-UHFFFAOYSA-N 1 0 370.674 4.410 40 0 FIABRO CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCCC(C)(C)C3)ccc21 ZINC000019461211 570890282 /nfs/dbraw/zinc/89/02/82/570890282.db2.gz VJYIDIHFEJATLQ-FQEVSTJZSA-N 1 0 372.553 4.167 40 0 FIABRO COCc1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000224332206 570985211 /nfs/dbraw/zinc/98/52/11/570985211.db2.gz TVVNOPNNUGXONR-UHFFFAOYSA-N 1 0 352.478 4.317 40 0 FIABRO Cc1cccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000224333440 570985268 /nfs/dbraw/zinc/98/52/68/570985268.db2.gz AKBXXMFGZOGURJ-LJQANCHMSA-N 1 0 366.505 4.036 40 0 FIABRO CSc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224647435 570996065 /nfs/dbraw/zinc/99/60/65/570996065.db2.gz SRASFZPERFMENU-UHFFFAOYSA-N 1 0 354.519 4.324 40 0 FIABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1(c2ccccc2)CCCC1 ZINC000224802954 571001458 /nfs/dbraw/zinc/00/14/58/571001458.db2.gz YFMZIIQEXWARBN-UHFFFAOYSA-N 1 0 362.517 4.411 40 0 FIABRO Cc1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000225229560 571022970 /nfs/dbraw/zinc/02/29/70/571022970.db2.gz JKDGFMOOCHDTTJ-UHFFFAOYSA-N 1 0 359.564 4.316 40 0 FIABRO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039755237 571025113 /nfs/dbraw/zinc/02/51/13/571025113.db2.gz RLRLCIXKCJZIMB-UHFFFAOYSA-N 1 0 358.482 4.398 40 0 FIABRO O=C(CCc1ccccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000029705890 571042279 /nfs/dbraw/zinc/04/22/79/571042279.db2.gz RWYWWUJVDXLTKU-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO CO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225644693 571052342 /nfs/dbraw/zinc/05/23/42/571052342.db2.gz NAFNKNUMIBVNIH-JOCHJYFZSA-N 1 0 374.525 4.085 40 0 FIABRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462213 571057768 /nfs/dbraw/zinc/05/77/68/571057768.db2.gz WSBHIBDGBDCDTK-INIZCTEOSA-N 1 0 372.896 4.020 40 0 FIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000225728652 571060041 /nfs/dbraw/zinc/06/00/41/571060041.db2.gz ICGSXNXOMCFWEG-CHWSQXEVSA-N 1 0 357.926 4.134 40 0 FIABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225730779 571060072 /nfs/dbraw/zinc/06/00/72/571060072.db2.gz HDWYSZWIFFICRU-OAQYLSRUSA-N 1 0 364.530 4.331 40 0 FIABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225738362 571060872 /nfs/dbraw/zinc/06/08/72/571060872.db2.gz BROLPPWTPNLMRB-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225745384 571061545 /nfs/dbraw/zinc/06/15/45/571061545.db2.gz WHRICHBPJYCKGH-OAQYLSRUSA-N 1 0 364.530 4.331 40 0 FIABRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000029903681 571061952 /nfs/dbraw/zinc/06/19/52/571061952.db2.gz UMWHWVQCTZRIEW-UHFFFAOYSA-N 1 0 358.869 4.199 40 0 FIABRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000225904749 571078748 /nfs/dbraw/zinc/07/87/48/571078748.db2.gz UBXGEPXOEDKQQA-MRXNPFEDSA-N 1 0 360.860 4.354 40 0 FIABRO COc1ccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904705 571078821 /nfs/dbraw/zinc/07/88/21/571078821.db2.gz XROCPUNIFKMKOC-QGZVFWFLSA-N 1 0 372.896 4.224 40 0 FIABRO COc1cccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000036740543 571081441 /nfs/dbraw/zinc/08/14/41/571081441.db2.gz TZLBRVMELDPNMU-UHFFFAOYSA-N 1 0 367.537 4.402 40 0 FIABRO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834296 571086959 /nfs/dbraw/zinc/08/69/59/571086959.db2.gz LTVHZMCCZHWTKY-QGZVFWFLSA-N 1 0 356.441 4.075 40 0 FIABRO CCc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044875414 571103496 /nfs/dbraw/zinc/10/34/96/571103496.db2.gz WVRQCJIIWFQOKM-UHFFFAOYSA-N 1 0 364.533 4.484 40 0 FIABRO C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857210 571103500 /nfs/dbraw/zinc/10/35/00/571103500.db2.gz KYGJJTUZMMUHFE-GOSISDBHSA-N 1 0 368.546 4.221 40 0 FIABRO C[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375808 571107124 /nfs/dbraw/zinc/10/71/24/571107124.db2.gz KSVOAGSJPVKKBU-INIZCTEOSA-N 1 0 372.896 4.020 40 0 FIABRO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260760794 571122170 /nfs/dbraw/zinc/12/21/70/571122170.db2.gz ACPHXIRPBSQXKX-ZWKOTPCHSA-N 1 0 366.505 4.418 40 0 FIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000260767661 571122526 /nfs/dbraw/zinc/12/25/26/571122526.db2.gz OFLDMKVEOKGHNJ-RXVVDRJESA-N 1 0 372.553 4.104 40 0 FIABRO Cc1ccccc1OCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260844215 571124216 /nfs/dbraw/zinc/12/42/16/571124216.db2.gz HIZYAXYGKADWGF-SFHVURJKSA-N 1 0 366.505 4.036 40 0 FIABRO COc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000072342204 571179540 /nfs/dbraw/zinc/17/95/40/571179540.db2.gz POZRIAYNGJCFQS-FBBABVLZSA-N 1 0 354.519 4.168 40 0 FIABRO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072350000 571181324 /nfs/dbraw/zinc/18/13/24/571181324.db2.gz VUWPPAFDLYPENZ-KRWDZBQOSA-N 1 0 350.441 4.001 40 0 FIABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000072349954 571181366 /nfs/dbraw/zinc/18/13/66/571181366.db2.gz NBJDWOUCJATGIC-SFHVURJKSA-N 1 0 350.441 4.001 40 0 FIABRO Cc1cccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072349973 571181448 /nfs/dbraw/zinc/18/14/48/571181448.db2.gz VCBQYTBLPPVWGT-NRFANRHFSA-N 1 0 360.505 4.094 40 0 FIABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072376772 571186018 /nfs/dbraw/zinc/18/60/18/571186018.db2.gz MQHWPEWUECQJTB-NRFANRHFSA-N 1 0 374.488 4.462 40 0 FIABRO c1csc(CN2CCO[C@]3(C2)CCC[N@@H+](CCc2ccccc2)CC3)c1 ZINC000306123116 571212787 /nfs/dbraw/zinc/21/27/87/571212787.db2.gz AEXCURUVLIIXPW-JOCHJYFZSA-N 1 0 370.562 4.048 40 0 FIABRO Cc1ccc(C(=O)N2CCC[C@]3(CCC[N@@H+]3Cc3cccc(F)c3)CC2)o1 ZINC000585100364 571221362 /nfs/dbraw/zinc/22/13/62/571221362.db2.gz JFNVWQXPCBZZLQ-QFIPXVFZSA-N 1 0 370.468 4.388 40 0 FIABRO c1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)cc1 ZINC000585105303 571224309 /nfs/dbraw/zinc/22/43/09/571224309.db2.gz SPWOICCOVKUTRW-QFIPXVFZSA-N 1 0 366.505 4.060 40 0 FIABRO CC(C)[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2)[C@H](C)C1 ZINC000247980920 571290993 /nfs/dbraw/zinc/29/09/93/571290993.db2.gz HCJTYJZVXXRLGC-QFUCXCTJSA-N 1 0 358.526 4.103 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000009063170 571302475 /nfs/dbraw/zinc/30/24/75/571302475.db2.gz QRKWYHSOQJADHB-UHFFFAOYSA-N 1 0 366.549 4.292 40 0 FIABRO O=C(NCCSCc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010332049 571303104 /nfs/dbraw/zinc/30/31/04/571303104.db2.gz LPEQZXLPSWASHG-UHFFFAOYSA-N 1 0 368.546 4.336 40 0 FIABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000216224814 222661995 /nfs/dbraw/zinc/66/19/95/222661995.db2.gz YVEDIMCPONMQIM-QRVBRYPASA-N 1 0 360.542 4.062 40 0 FIABRO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc4c(c3)OCCO4)c2c1 ZINC000000952832 219346317 /nfs/dbraw/zinc/34/63/17/219346317.db2.gz DKSJFRQXPQTCPQ-UHFFFAOYSA-N 1 0 364.401 4.235 40 0 FIABRO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000224331178 222811481 /nfs/dbraw/zinc/81/14/81/222811481.db2.gz ODOAKLIQGOPTIA-UHFFFAOYSA-N 1 0 366.505 4.036 40 0 FIABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc2ccccc21 ZINC000008254621 291080683 /nfs/dbraw/zinc/08/06/83/291080683.db2.gz AHIFZBURPWSUTA-RYQLBKOJSA-N 1 0 353.535 4.247 40 0 biogenic,in-vitro FIABRO CC[NH+](CC)CCOc1ccc(-c2cc(-c3ccccc3)nc(N)n2)cc1 ZINC000005665638 219693383 /nfs/dbraw/zinc/69/33/83/219693383.db2.gz JINBCBSHHFEMAY-UHFFFAOYSA-N 1 0 362.477 4.113 40 0 FIABRO O=C(c1ccoc1)N1CCC2(CCc3ncc(-c4ccsc4)n3C2)CC1 ZINC000306136729 223112267 /nfs/dbraw/zinc/11/22/67/223112267.db2.gz QBBRGZVZWBKVBG-UHFFFAOYSA-N 1 0 367.474 4.073 40 0 FIABRO O=C(CSCc1c(F)cccc1Cl)NCCC[NH+]1CCCCCC1 ZINC000013669254 220081650 /nfs/dbraw/zinc/08/16/50/220081650.db2.gz GCAFIFGXINFCLZ-UHFFFAOYSA-N 1 0 372.937 4.095 40 0 FIABRO c1ccc(CCC[N@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000013989750 220100091 /nfs/dbraw/zinc/10/00/91/220100091.db2.gz OFLVGWYEAWTPSX-UHFFFAOYSA-N 1 0 360.457 4.445 40 0 FIABRO Cc1ccc(OCC[N@@H+](C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)cc1 ZINC000019211063 220238799 /nfs/dbraw/zinc/23/87/99/220238799.db2.gz YKNFPKVGLIXEIN-HXUWFJFHSA-N 1 0 365.477 4.234 40 0 FIABRO Clc1cccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 ZINC000019293399 220245757 /nfs/dbraw/zinc/24/57/57/220245757.db2.gz CIMSNFVHNDLMDB-UHFFFAOYSA-N 1 0 354.841 4.165 40 0 FIABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(OC)cc3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000019525794 220268594 /nfs/dbraw/zinc/26/85/94/220268594.db2.gz YALMPFORSXQCOG-VAPSRWTKSA-N 1 0 365.521 4.500 40 0 FIABRO COc1cc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OC1CCCC1 ZINC000019550129 220271896 /nfs/dbraw/zinc/27/18/96/220271896.db2.gz LVUIPOZXMFASPQ-HSZRJFAPSA-N 1 0 367.489 4.110 40 0 FIABRO COCCC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccccn1 ZINC000019593274 220277934 /nfs/dbraw/zinc/27/79/34/220277934.db2.gz QALLUBRPAAAPPX-UHFFFAOYSA-N 1 0 370.884 4.164 40 0 FIABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C ZINC000019654436 220280386 /nfs/dbraw/zinc/28/03/86/220280386.db2.gz XCEAOZXQKYZNRE-HXUWFJFHSA-N 1 0 363.509 4.150 40 0 FIABRO Cc1cc(C)n(C2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)n1 ZINC000019659077 220282881 /nfs/dbraw/zinc/28/28/81/220282881.db2.gz XVNAFQTWVXYASX-UHFFFAOYSA-N 1 0 369.900 4.176 40 0 FIABRO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC000019694469 220285161 /nfs/dbraw/zinc/28/51/61/220285161.db2.gz KZEMFLYGZIFXGB-FQEVSTJZSA-N 1 0 366.509 4.155 40 0 FIABRO CC[NH+](CC)Cc1ccccc1NC(=O)c1cn2cc(Cl)ccc2n1 ZINC000019716793 220290406 /nfs/dbraw/zinc/29/04/06/220290406.db2.gz QDQNKGMGAQCOSY-UHFFFAOYSA-N 1 0 356.857 4.082 40 0 FIABRO Cc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 ZINC000022408739 220385310 /nfs/dbraw/zinc/38/53/10/220385310.db2.gz CCYRZSRCOCLIMK-OAQYLSRUSA-N 1 0 355.889 4.299 40 0 FIABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872883 220962403 /nfs/dbraw/zinc/96/24/03/220962403.db2.gz KPSMVVNAOAAVQA-QFIPXVFZSA-N 1 0 366.505 4.065 40 0 FIABRO C[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1 ZINC000045209795 220967618 /nfs/dbraw/zinc/96/76/18/220967618.db2.gz XVAUQMOGZLUEQB-WIYYLYMNSA-N 1 0 354.538 4.125 40 0 FIABRO CCCNC(=O)[C@@H]1Cc2cn(CC3CC3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171558 221020539 /nfs/dbraw/zinc/02/05/39/221020539.db2.gz SWFYHRVMAQWAHY-PMACEKPBSA-N 1 0 367.537 4.179 40 0 biogenic,in-vitro FIABRO c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4cnc5ccccc5c4)C3)o2)cc1 ZINC000049169290 221021203 /nfs/dbraw/zinc/02/12/03/221021203.db2.gz WIJDNZCYTCRHJZ-IBGZPJMESA-N 1 0 356.429 4.274 40 0 biogenic,in-vitro FIABRO CC[C@@H]1c2ccc(C)n2CCN1Cc1ccccc1OCCC[NH+](C)C ZINC000057811478 221094311 /nfs/dbraw/zinc/09/43/11/221094311.db2.gz PBCPAXPUWWVFPI-HXUWFJFHSA-N 1 0 355.526 4.094 40 0 FIABRO CC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1[NH2+]C1CCOCC1 ZINC000067889833 221301377 /nfs/dbraw/zinc/30/13/77/221301377.db2.gz CUYBUBRKIHJTKH-QRWLVFNGSA-N 1 0 358.457 4.207 40 0 biogenic,in-vitro FIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)c1 ZINC000306125526 533371026 /nfs/dbraw/zinc/37/10/26/533371026.db2.gz CTFTUZIRNSJHEF-SFHVURJKSA-N 1 0 362.477 4.137 40 0 FIABRO Cc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NC(C)C)[nH+]1 ZINC000328965219 132371776 /nfs/dbraw/zinc/37/17/76/132371776.db2.gz CASAOXMOTNKRJK-UHFFFAOYSA-N 1 0 366.387 4.067 40 0 FIABRO Cc1cc(N2Cc3ccccc3CC2(C)C)nc(NCc2ccccc2)[nH+]1 ZINC000329071850 132373222 /nfs/dbraw/zinc/37/32/22/132373222.db2.gz ZSZKPFKZQXGNCY-UHFFFAOYSA-N 1 0 358.489 4.160 40 0 FIABRO COc1ccc2c(c1)C1(CC[NH+](Cc3ccc(C)s3)CC1)N(C)CC2 ZINC000096100214 222022210 /nfs/dbraw/zinc/02/22/10/222022210.db2.gz CRZQQNYTZPAEGJ-UHFFFAOYSA-N 1 0 356.535 4.044 40 0 FIABRO CC(=O)N1CCC2(CC1)C[C@H]([NH2+]Cc1ccc(C)s1)c1ccccc1O2 ZINC000096242680 222097177 /nfs/dbraw/zinc/09/71/77/222097177.db2.gz MOOKGGDANWBIIK-IBGZPJMESA-N 1 0 370.518 4.051 40 0 FIABRO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039744740 263399097 /nfs/dbraw/zinc/39/90/97/263399097.db2.gz CKYBPBUBQHYEPD-SFHVURJKSA-N 1 0 368.496 4.175 40 0 FIABRO Cc1ccc(-c2cnc3n2C2(CC[NH+](C4CCCC4)CC2)COC3)cc1 ZINC000306141310 534196542 /nfs/dbraw/zinc/19/65/42/534196542.db2.gz VRPVPFWLWOVMMS-UHFFFAOYSA-N 1 0 351.494 4.122 40 0 FIABRO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccs4)C2)OC3)cc1 ZINC000306130794 534196792 /nfs/dbraw/zinc/19/67/92/534196792.db2.gz JPRHDBHXYVCDAO-NRFANRHFSA-N 1 0 365.502 4.095 40 0 FIABRO Cc1ccc2nc3c(cc2c1)[C@@H]1OCC2(CC[NH2+]CC2)C[C@H]1C(C)(C)O3 ZINC000257240635 534508501 /nfs/dbraw/zinc/50/85/01/534508501.db2.gz HUKZSWKALHOFFL-MJGOQNOKSA-N 1 0 352.478 4.162 40 0 FIABRO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](CC5CC5)C4)nn3c2)c1 ZINC000306143440 534513639 /nfs/dbraw/zinc/51/36/39/534513639.db2.gz YCHAMSXZXKLQJI-SFHVURJKSA-N 1 0 350.441 4.125 40 0 FIABRO CC(C)Cn1cnc2c1C1(CC[NH+](C3CCC3)CC1)Oc1ccccc1-2 ZINC000306133566 528742093 /nfs/dbraw/zinc/74/20/93/528742093.db2.gz MPRVIVPHBKSDFC-UHFFFAOYSA-N 1 0 351.494 4.442 40 0 FIABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000216224766 568113429 /nfs/dbraw/zinc/11/34/29/568113429.db2.gz YVEDIMCPONMQIM-OTWHNJEPSA-N 1 0 360.542 4.062 40 0 FIABRO c1csc(Nc2cccc(CC3CC[NH+](Cc4cccnc4)CC3)n2)n1 ZINC000585262516 570481273 /nfs/dbraw/zinc/48/12/73/570481273.db2.gz CQWXGTVWJHGYDK-UHFFFAOYSA-N 1 0 365.506 4.131 40 0 FIABRO c1csc(Nc2cccc(CC3CC[NH+](Cc4ccncc4)CC3)n2)n1 ZINC000585262675 570481506 /nfs/dbraw/zinc/48/15/06/570481506.db2.gz RGZYLHLWWPESQA-UHFFFAOYSA-N 1 0 365.506 4.131 40 0 FIABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000585290656 570496379 /nfs/dbraw/zinc/49/63/79/570496379.db2.gz ZNNSWWDQPCWDFM-IPMKNSEASA-N 1 0 367.823 4.069 40 0 FIABRO CN(C)CC(C[NH+](C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000001607910 570503185 /nfs/dbraw/zinc/50/31/85/570503185.db2.gz ISNJZZHGBBQZJI-UHFFFAOYSA-N 1 0 360.885 4.054 40 0 FIABRO NC(=O)C(CCCC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001700032 570504906 /nfs/dbraw/zinc/50/49/06/570504906.db2.gz KWJDODKCXOGAQY-UHFFFAOYSA-N 1 0 350.506 4.114 40 0 FIABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072354575 570545965 /nfs/dbraw/zinc/54/59/65/570545965.db2.gz UMYSHBDMYOPEKU-LJQANCHMSA-N 1 0 366.415 4.341 40 0 FIABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4Cl)C3)n2)cc1 ZINC000072369918 570546884 /nfs/dbraw/zinc/54/68/84/570546884.db2.gz GRTWBYWJLCFBMD-INIZCTEOSA-N 1 0 369.852 4.388 40 0 FIABRO O=C(c1ccccc1Cl)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613039 570581928 /nfs/dbraw/zinc/58/19/28/570581928.db2.gz WPSMVJPQHIKWHI-SFHVURJKSA-N 1 0 354.881 4.003 40 0 FIABRO O=C(c1ccc(F)cc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408610647 570582718 /nfs/dbraw/zinc/58/27/18/570582718.db2.gz QYDYPWJIRBWFFX-UHFFFAOYSA-N 1 0 366.480 4.344 40 0 FIABRO C[C@@H]1[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)C[C@H]2CCCC[N@H+]12 ZINC000005758913 570635078 /nfs/dbraw/zinc/63/50/78/570635078.db2.gz MWRBNPVKOTZDOJ-STZQEDGTSA-N 1 0 362.517 4.198 40 0 FIABRO C[NH+](C)CCCNC(=O)c1cccc(COc2ccc(C(C)(C)C)cc2)c1 ZINC000002750433 570656025 /nfs/dbraw/zinc/65/60/25/570656025.db2.gz OELUALJUDQVXGD-UHFFFAOYSA-N 1 0 368.521 4.245 40 0 FIABRO Fc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007404770 570663822 /nfs/dbraw/zinc/66/38/22/570663822.db2.gz LCNQHAUYJSGXME-UHFFFAOYSA-N 1 0 357.498 4.298 40 0 FIABRO COc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)c1 ZINC000004856954 570671533 /nfs/dbraw/zinc/67/15/33/570671533.db2.gz LBKAFRCZEKPWHV-AYHJJNSGSA-N 1 0 361.555 4.023 40 0 FIABRO CCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008253203 570678980 /nfs/dbraw/zinc/67/89/80/570678980.db2.gz FTBZGSJZSGRTOT-UHFFFAOYSA-N 1 0 363.885 4.444 40 0 FIABRO CCOc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccccc1Cl ZINC000008254674 570679144 /nfs/dbraw/zinc/67/91/44/570679144.db2.gz DGMDSWMBFQUBPQ-UHFFFAOYSA-N 1 0 363.885 4.178 40 0 FIABRO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008327055 570680226 /nfs/dbraw/zinc/68/02/26/570680226.db2.gz ORNXCRVNQWNPLJ-QGZVFWFLSA-N 1 0 354.277 4.433 40 0 FIABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008497894 570682300 /nfs/dbraw/zinc/68/23/00/570682300.db2.gz GMYOMDAJUSBARI-LBPRGKRZSA-N 1 0 370.276 4.051 40 0 FIABRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)[C@@H]1C ZINC000036058548 570693525 /nfs/dbraw/zinc/69/35/25/570693525.db2.gz AOWYYPBYAPIMFX-LZJOCLMNSA-N 1 0 372.553 4.166 40 0 FIABRO FC(F)c1cc([C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129107 570720643 /nfs/dbraw/zinc/72/06/43/570720643.db2.gz KCWJOSIUSWIBBU-DLBZAZTESA-N 1 0 354.404 4.126 40 0 FIABRO CC(C)(CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)C[NH+]1CCCCC1 ZINC000012293131 570732791 /nfs/dbraw/zinc/73/27/91/570732791.db2.gz HUVFVNHPKPNYQK-LIMIJEPZSA-N 1 0 374.544 4.152 40 0 FIABRO CCOc1cc2c(cc1C[NH2+]C1(c3ccc(OC)cc3)CCCC1)OCO2 ZINC000012328348 570737122 /nfs/dbraw/zinc/73/71/22/570737122.db2.gz NIZQLDOZYVJCFU-UHFFFAOYSA-N 1 0 369.461 4.382 40 0 FIABRO COc1ccccc1C1(O)CC[NH+](Cc2oc3ccccc3c2C)CC1 ZINC000012328434 570737278 /nfs/dbraw/zinc/73/72/78/570737278.db2.gz NAHLBLPCXLRGDK-UHFFFAOYSA-N 1 0 351.446 4.233 40 0 FIABRO Fc1ccc(-c2cnc(-c3ccncc3)c(C[NH2+][C@@H]3CCCOC3)c2)cc1 ZINC000012337334 570737792 /nfs/dbraw/zinc/73/77/92/570737792.db2.gz GKQMUSIJAYQJBR-OAQYLSRUSA-N 1 0 363.436 4.218 40 0 FIABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2OC[C@H]2CCCO2)on1 ZINC000012366555 570739166 /nfs/dbraw/zinc/73/91/66/570739166.db2.gz VMSRLQZQNNZHLO-FBBABVLZSA-N 1 0 370.493 4.042 40 0 FIABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cnc(-c3ccccc3C)nc2)on1 ZINC000012366558 570739231 /nfs/dbraw/zinc/73/92/31/570739231.db2.gz KWTBEHMGBUYXRV-GHTZIAJQSA-N 1 0 362.477 4.249 40 0 FIABRO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063623 570797686 /nfs/dbraw/zinc/79/76/86/570797686.db2.gz HEUWBUJXRKVSQM-UHFFFAOYSA-N 1 0 358.482 4.398 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSc3ccccc3)CC2)c1 ZINC000009063008 570802760 /nfs/dbraw/zinc/80/27/60/570802760.db2.gz NBDKGRFDZPNAAG-UHFFFAOYSA-N 1 0 368.546 4.116 40 0 FIABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000020462395 570863008 /nfs/dbraw/zinc/86/30/08/570863008.db2.gz VRDZNDFQOOMGSS-SJLPKXTDSA-N 1 0 366.933 4.268 40 0 FIABRO CC(C)(C)C(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCCC(C)(C)C3)ccc21 ZINC000019461213 570890200 /nfs/dbraw/zinc/89/02/00/570890200.db2.gz VJYIDIHFEJATLQ-HXUWFJFHSA-N 1 0 372.553 4.167 40 0 FIABRO CCc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000224096050 570977077 /nfs/dbraw/zinc/97/70/77/570977077.db2.gz AAEAZUFTYLEAGY-UHFFFAOYSA-N 1 0 366.505 4.044 40 0 FIABRO O=C(/C=C/c1ccc(F)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224643888 570996051 /nfs/dbraw/zinc/99/60/51/570996051.db2.gz ROJKEYHJTMUJIY-FMIVXFBMSA-N 1 0 352.453 4.141 40 0 FIABRO CC(C)Oc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224841613 571002326 /nfs/dbraw/zinc/00/23/26/571002326.db2.gz SBVBOSZLLVENQY-UHFFFAOYSA-N 1 0 366.505 4.390 40 0 FIABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000028220902 571027986 /nfs/dbraw/zinc/02/79/86/571027986.db2.gz HLSOLTMMQBGQND-VQIMIIECSA-N 1 0 356.897 4.429 40 0 FIABRO CCOc1cccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000030751975 571049135 /nfs/dbraw/zinc/04/91/35/571049135.db2.gz PAMYCUWQWCJNQX-SFHVURJKSA-N 1 0 366.505 4.247 40 0 FIABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000030756491 571049817 /nfs/dbraw/zinc/04/98/17/571049817.db2.gz CMEKZMQWLZGGFR-KRWDZBQOSA-N 1 0 352.478 4.172 40 0 FIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225619152 571050105 /nfs/dbraw/zinc/05/01/05/571050105.db2.gz IQCUPFJGFGEYCC-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO O=C1OC2=C(CCCCC2)[C@@H]([NH+]2CCCCC2)C12SCCCS2 ZINC000031759458 571055651 /nfs/dbraw/zinc/05/56/51/571055651.db2.gz LOXJREIATMNLGB-MRXNPFEDSA-N 1 0 353.553 4.182 40 0 FIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225727454 571059646 /nfs/dbraw/zinc/05/96/46/571059646.db2.gz SRPXBXJUNBFLOO-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901121 571078843 /nfs/dbraw/zinc/07/88/43/571078843.db2.gz PYYHKULNJCTIMC-QFIPXVFZSA-N 1 0 358.485 4.368 40 0 FIABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000038771955 571086778 /nfs/dbraw/zinc/08/67/78/571086778.db2.gz YPJRZXBFOZQKNE-SFHVURJKSA-N 1 0 366.505 4.418 40 0 FIABRO Cc1nccn1Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000038848681 571087546 /nfs/dbraw/zinc/08/75/46/571087546.db2.gz LORKMIRRKJLWCW-UHFFFAOYSA-N 1 0 374.271 4.477 40 0 FIABRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCc2ccccc2C1 ZINC000038835856 571087576 /nfs/dbraw/zinc/08/75/76/571087576.db2.gz JZGPOQCJYSGGSE-HXUWFJFHSA-N 1 0 368.908 4.137 40 0 FIABRO O=C(NCCSCc1ccco1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044786540 571102082 /nfs/dbraw/zinc/10/20/82/571102082.db2.gz YAOAXLIADWUFKY-UHFFFAOYSA-N 1 0 372.534 4.319 40 0 FIABRO COc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044906700 571104427 /nfs/dbraw/zinc/10/44/27/571104427.db2.gz AOPACGKBACYQFQ-UHFFFAOYSA-N 1 0 366.505 4.044 40 0 FIABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2CC)cc1Cl ZINC000260769628 571122412 /nfs/dbraw/zinc/12/24/12/571122412.db2.gz PYFJBZPKRCTFHT-MRXNPFEDSA-N 1 0 352.906 4.123 40 0 FIABRO CC[C@H](C)[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575421028 571149523 /nfs/dbraw/zinc/14/95/23/571149523.db2.gz MAFLQVRDBZMBBE-PXNSSMCTSA-N 1 0 357.519 4.064 40 0 FIABRO Cc1nccc(-c2ccc(-c3noc(C[NH2+]C4CCCCCC4)n3)cc2)n1 ZINC000072339983 571179312 /nfs/dbraw/zinc/17/93/12/571179312.db2.gz MDKIYIPOOREMAJ-UHFFFAOYSA-N 1 0 363.465 4.314 40 0 FIABRO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)c1 ZINC000072348539 571179955 /nfs/dbraw/zinc/17/99/55/571179955.db2.gz XUFFMQBLEYUMFT-LJQANCHMSA-N 1 0 363.505 4.360 40 0 FIABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348823 571180212 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COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)n2)c1 ZINC000072369902 571184889 /nfs/dbraw/zinc/18/48/89/571184889.db2.gz RSCNCQYPRAZJBD-HNNXBMFYSA-N 1 0 371.387 4.013 40 0 FIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4cccc(F)c4F)C3)n2)c1 ZINC000072369909 571185015 /nfs/dbraw/zinc/18/50/15/571185015.db2.gz IBXAHRCESNKRTF-OAHLLOKOSA-N 1 0 371.387 4.013 40 0 FIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4cccc(Cl)c4)C3)n2)c1 ZINC000072369881 571185109 /nfs/dbraw/zinc/18/51/09/571185109.db2.gz XYMSUZGJQPIXCI-MRXNPFEDSA-N 1 0 369.852 4.388 40 0 FIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379077 571187375 /nfs/dbraw/zinc/18/73/75/571187375.db2.gz ZUANFGFBVZMUHF-GOSISDBHSA-N 1 0 364.468 4.348 40 0 FIABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c1 ZINC000072390082 571189633 /nfs/dbraw/zinc/18/96/33/571189633.db2.gz ODVDVFNUBJSFBH-OAHLLOKOSA-N 1 0 355.463 4.186 40 0 FIABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000257217187 571203003 /nfs/dbraw/zinc/20/30/03/571203003.db2.gz CXXNKXDSYMRXMQ-WHSLLNHNSA-N 1 0 363.461 4.064 40 0 FIABRO Cc1ccc(C(=O)N2CCC[C@@]3(CCC[N@@H+]3Cc3ccc(F)cc3)CC2)o1 ZINC000585100412 571221379 /nfs/dbraw/zinc/22/13/79/571221379.db2.gz RMVUSEMSJPKBAI-JOCHJYFZSA-N 1 0 370.468 4.388 40 0 FIABRO Cc1ccc(C(=O)N2CCC[C@@]3(CCC[N@@H+]3Cc3cccc(F)c3)CC2)o1 ZINC000585100361 571221392 /nfs/dbraw/zinc/22/13/92/571221392.db2.gz JFNVWQXPCBZZLQ-JOCHJYFZSA-N 1 0 370.468 4.388 40 0 FIABRO c1csc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)c1 ZINC000585105238 571224444 /nfs/dbraw/zinc/22/44/44/571224444.db2.gz RGPQAIKCCSFPHQ-LJQANCHMSA-N 1 0 372.534 4.121 40 0 FIABRO CCCC[N@H+]1CC=C(c2nn3c(nnc3-c3cccc(C)c3)s2)CC1 ZINC000226250770 571276217 /nfs/dbraw/zinc/27/62/17/571276217.db2.gz PNPITXYCCAFNGG-UHFFFAOYSA-N 1 0 353.495 4.050 40 0 FIABRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)[C@H]1C ZINC000245227115 571290089 /nfs/dbraw/zinc/29/00/89/571290089.db2.gz AOWYYPBYAPIMFX-WWMYMODYSA-N 1 0 372.553 4.166 40 0 FIABRO Cc1noc(C)c1C(=O)Nc1ccc(CC[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000253603223 571291830 /nfs/dbraw/zinc/29/18/30/571291830.db2.gz WUCVKGXWHXZAPW-RDTXWAMCSA-N 1 0 355.482 4.064 40 0 FIABRO C[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Br ZINC000012362942 571294244 /nfs/dbraw/zinc/29/42/44/571294244.db2.gz NTTBMJIADQIFRG-IHRRRGAJSA-N 1 0 354.288 4.257 40 0 FIABRO O=C(Nc1ccccc1Br)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010331748 571303107 /nfs/dbraw/zinc/30/31/07/571303107.db2.gz MLLVYCILCGHORK-UHFFFAOYSA-N 1 0 359.267 4.297 40 0 FIABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3cccnc3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713512 571304899 /nfs/dbraw/zinc/30/48/99/571304899.db2.gz MDVZJQNSFMPWMS-FUDKSRODSA-N 1 0 363.505 4.302 40 0 FIABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000044880013 571306202 /nfs/dbraw/zinc/30/62/02/571306202.db2.gz ZOILVCBJEPMWFW-TZIWHRDSSA-N 1 0 360.542 4.232 40 0 FIABRO O[C@@]1(c2ccc(F)cc2)CN(c2cccc(Cl)c2)C2=[N+]1CCCCC2 ZINC000027525109 1121428918 /nfs/dbraw/zinc/42/89/18/1121428918.db2.gz WKFVOYUXQJBDHK-HXUWFJFHSA-N 1 0 359.852 4.129 40 0 FIABRO CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCC[NH2+]2)n1 ZINC000257281165 529806055 /nfs/dbraw/zinc/80/60/55/529806055.db2.gz ONXOUKGJUVUQTQ-HNNXBMFYSA-N 1 0 350.388 4.043 40 0 FIABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000257233102 529954699 /nfs/dbraw/zinc/95/46/99/529954699.db2.gz GNVGZLNJGSOSCE-KRWDZBQOSA-N 1 0 364.514 4.293 40 0 FIABRO COc1cc(C(=O)Nc2ccccc2CC[C@H]2CCCC[N@@H+]2C)ccc1O ZINC000000597290 219304468 /nfs/dbraw/zinc/30/44/68/219304468.db2.gz LBYXPDAENJSHDD-GOSISDBHSA-N 1 0 368.477 4.070 40 0 in-man FIABRO CC[C@H](Oc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224696929 222818039 /nfs/dbraw/zinc/81/80/39/222818039.db2.gz FOPFIHCQZKOVIU-QFIPXVFZSA-N 1 0 366.505 4.146 40 0 FIABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000224949942 222824097 /nfs/dbraw/zinc/82/40/97/222824097.db2.gz VPAQHCVVDPKUKC-LJQANCHMSA-N 1 0 360.542 4.268 40 0 FIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225611976 222854639 /nfs/dbraw/zinc/85/46/39/222854639.db2.gz IMCKGRUPIIFJCN-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225636183 222856887 /nfs/dbraw/zinc/85/68/87/222856887.db2.gz TXRGIEXBGRNBBS-GCJKJVERSA-N 1 0 374.525 4.085 40 0 FIABRO CCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225723731 222864002 /nfs/dbraw/zinc/86/40/02/222864002.db2.gz JQDGUIXZZFHVJS-JOCHJYFZSA-N 1 0 374.525 4.085 40 0 FIABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2OC[C@@H]2CCCO2)on1 ZINC000012366554 219985826 /nfs/dbraw/zinc/98/58/26/219985826.db2.gz VMSRLQZQNNZHLO-HFSMHLIXSA-N 1 0 370.493 4.042 40 0 FIABRO COc1ccc(CC[N@H+](Cc2ccsc2)Cc2ccncc2)cc1OC ZINC000013989499 220100384 /nfs/dbraw/zinc/10/03/84/220100384.db2.gz NGBNCDVZIAGQKM-UHFFFAOYSA-N 1 0 368.502 4.405 40 0 FIABRO Cc1cc(-c2nccs2)nc(C2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000019118670 220235318 /nfs/dbraw/zinc/23/53/18/220235318.db2.gz KSHCNKCGRROBKZ-UHFFFAOYSA-N 1 0 368.481 4.427 40 0 FIABRO Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000019237170 220242659 /nfs/dbraw/zinc/24/26/59/220242659.db2.gz PXVUCZCYEQTSMV-UHFFFAOYSA-N 1 0 354.479 4.190 40 0 FIABRO O=C(NC1CCCC1)c1cc(C2CC[NH+](CC3CCCCC3)CC2)no1 ZINC000019292197 220245367 /nfs/dbraw/zinc/24/53/67/220245367.db2.gz ZJTRARXPSGAYGN-UHFFFAOYSA-N 1 0 359.514 4.107 40 0 FIABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 ZINC000019289487 220245803 /nfs/dbraw/zinc/24/58/03/220245803.db2.gz XIFHYEVXMLBKIU-AWEZNQCLSA-N 1 0 358.848 4.140 40 0 FIABRO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCCC3)CC[C@@H]21 ZINC000019406571 220255152 /nfs/dbraw/zinc/25/51/52/220255152.db2.gz FCOMGQHPLVUABP-UFYCRDLUSA-N 1 0 358.551 4.107 40 0 FIABRO O[C@@]1(c2ccccn2)CC[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@H]21 ZINC000019402297 220255601 /nfs/dbraw/zinc/25/56/01/220255601.db2.gz VIFXYXPAGZDGNY-OHNRDTAOSA-N 1 0 363.288 4.118 40 0 FIABRO C[C@H](CC[N@@H+]1CCc2nc([C@@H]3CCCCN3C)ncc2C1)c1ccccc1 ZINC000019455720 220257712 /nfs/dbraw/zinc/25/77/12/220257712.db2.gz XMIGJZFWLPJIND-GCJKJVERSA-N 1 0 364.537 4.185 40 0 FIABRO CC(C)C[NH+]1CCC([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019447155 220258584 /nfs/dbraw/zinc/25/85/84/220258584.db2.gz NGHQCZMLWWXFHD-OAQYLSRUSA-N 1 0 369.484 4.060 40 0 FIABRO C[C@@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2ccccc2s1 ZINC000019459835 220261560 /nfs/dbraw/zinc/26/15/60/220261560.db2.gz XPKJWVXINALCFQ-CYBMUJFWSA-N 1 0 359.539 4.420 40 0 FIABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019525779 220269372 /nfs/dbraw/zinc/26/93/72/220269372.db2.gz OAEHIPJFFLNJFH-YVNJGZBMSA-N 1 0 351.494 4.110 40 0 FIABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1OC ZINC000019561436 220274777 /nfs/dbraw/zinc/27/47/77/220274777.db2.gz AINVUQRLJAEZAP-GPHNJDIKSA-N 1 0 352.478 4.161 40 0 FIABRO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022075164 220376813 /nfs/dbraw/zinc/37/68/13/220376813.db2.gz JYDRBZVXKGZYLB-NRFANRHFSA-N 1 0 363.457 4.097 40 0 FIABRO O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032461931 220660713 /nfs/dbraw/zinc/66/07/13/220660713.db2.gz CMAZLJACGWKHMC-DHZHZOJOSA-N 1 0 354.881 4.265 40 0 FIABRO Clc1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000049169807 221020081 /nfs/dbraw/zinc/02/00/81/221020081.db2.gz CONIZEPHDNMJMJ-KRWDZBQOSA-N 1 0 353.853 4.303 40 0 biogenic,in-vitro FIABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)o1 ZINC000049169993 221020608 /nfs/dbraw/zinc/02/06/08/221020608.db2.gz BGSMZKUCSBQTTB-HNNXBMFYSA-N 1 0 369.852 4.388 40 0 biogenic,in-vitro FIABRO c1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4cccc5cccnc54)C3)n2)cc1 ZINC000072369827 221483466 /nfs/dbraw/zinc/48/34/66/221483466.db2.gz BJEMQQBVZYTYRR-LJQANCHMSA-N 1 0 356.429 4.274 40 0 FIABRO COc1ccc2c(c1)CCN(c1cc(C)[nH+]c(NC3CCCCC3)n1)C2 ZINC000328961591 132371932 /nfs/dbraw/zinc/37/19/32/132371932.db2.gz BEDUWKQTIFZJNM-UHFFFAOYSA-N 1 0 352.482 4.101 40 0 FIABRO CC(C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329041934 132372729 /nfs/dbraw/zinc/37/27/29/132372729.db2.gz SLDVRCIWLLAZCQ-UHFFFAOYSA-N 1 0 368.525 4.210 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)s1 ZINC000096047857 222000006 /nfs/dbraw/zinc/00/00/06/222000006.db2.gz QBVIBMMRHXUEFK-LJQANCHMSA-N 1 0 357.519 4.397 40 0 FIABRO CC(C)[NH+]1CCC2(CC1)CN(C(=O)Nc1ccccc1)Cc1ccccc12 ZINC000096242410 222096821 /nfs/dbraw/zinc/09/68/21/222096821.db2.gz OXWOQVBFHNJBKB-UHFFFAOYSA-N 1 0 363.505 4.476 40 0 FIABRO CC(=O)N1CCC2(CC[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C2)CC1 ZINC000096268705 222106802 /nfs/dbraw/zinc/10/68/02/222106802.db2.gz UJKHYWVTWRHRCC-UHFFFAOYSA-N 1 0 374.834 4.193 40 0 FIABRO O=C(c1ccncc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096214606 222079715 /nfs/dbraw/zinc/07/97/15/222079715.db2.gz SMESZIZIHBFYRB-OAQYLSRUSA-N 1 0 369.896 4.006 40 0 FIABRO O=C1CCC2(CCC([NH2+]CC3CCCCC3)CC2)N1Cc1ccncc1 ZINC000096228606 222089910 /nfs/dbraw/zinc/08/99/10/222089910.db2.gz HNIYVXLOMJGBGS-UHFFFAOYSA-N 1 0 355.526 4.055 40 0 FIABRO C[C@@H]([NH3+])c1sc(Br)c(Br)c1Br ZINC000096525481 222124049 /nfs/dbraw/zinc/12/40/49/222124049.db2.gz NSBXAVICYCLWQN-UWTATZPHSA-N 1 0 363.900 4.055 40 0 FIABRO CCCCCC[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007261047 263349704 /nfs/dbraw/zinc/34/97/04/263349704.db2.gz SYEKPFJWCRJSNP-UHFFFAOYSA-N 1 0 373.449 4.190 40 0 FIABRO COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1cccs1 ZINC000007539914 263351840 /nfs/dbraw/zinc/35/18/40/263351840.db2.gz PEHMQBFCXYUCQT-UHFFFAOYSA-N 1 0 368.930 4.030 40 0 FIABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000032641573 263393071 /nfs/dbraw/zinc/39/30/71/263393071.db2.gz MJZJXXAPROICDH-UHFFFAOYSA-N 1 0 358.869 4.199 40 0 FIABRO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000039751266 263399349 /nfs/dbraw/zinc/39/93/49/263399349.db2.gz ICKKFCASNAIUJJ-UHFFFAOYSA-N 1 0 364.533 4.264 40 0 FIABRO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000039741286 263399543 /nfs/dbraw/zinc/39/95/43/263399543.db2.gz FPTLHYQORBRXNN-UHFFFAOYSA-N 1 0 370.468 4.464 40 0 FIABRO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039750066 263399561 /nfs/dbraw/zinc/39/95/61/263399561.db2.gz PMKRWVFGUXGPHX-GOSISDBHSA-N 1 0 366.505 4.093 40 0 FIABRO Fc1ccc(C[N@@H+]2C[C@H]3Cc4cnc(Nc5ccccc5)nc4[C@@H]3C2)cc1 ZINC000306131150 534464897 /nfs/dbraw/zinc/46/48/97/534464897.db2.gz JXUSTSWZHHXBMD-YLJYHZDGSA-N 1 0 360.436 4.131 40 0 FIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSc3ccccc3)cc2)C1 ZINC000020034851 524092487 /nfs/dbraw/zinc/09/24/87/524092487.db2.gz CCZSLZUMUNPROE-SFHVURJKSA-N 1 0 368.546 4.441 40 0 FIABRO O=C(CSCc1ccc(Cl)cc1F)NCCC[NH+]1CCCCCC1 ZINC000223184514 568623106 /nfs/dbraw/zinc/62/31/06/568623106.db2.gz NNHZUWNMMDRIBT-UHFFFAOYSA-N 1 0 372.937 4.095 40 0 FIABRO COc1ccc(C[NH+]2CCC3(CCN(Cc4nccs4)CC3)CC2)cc1 ZINC000096047218 570472920 /nfs/dbraw/zinc/47/29/20/570472920.db2.gz LTWIDCPOJHWSFT-UHFFFAOYSA-N 1 0 371.550 4.030 40 0 FIABRO CC1(C[NH+]2CCCCC2)COC(c2ccccc2)(c2ccccc2)OC1 ZINC000001593627 570502539 /nfs/dbraw/zinc/50/25/39/570502539.db2.gz HDRLIJMBSHGHAV-UHFFFAOYSA-N 1 0 351.490 4.427 40 0 FIABRO C[NH+](C)CCCNC(=O)c1cccc(COc2cccc3ccccc32)c1 ZINC000002753289 570530307 /nfs/dbraw/zinc/53/03/07/570530307.db2.gz NXCOARYHCFDUFW-UHFFFAOYSA-N 1 0 362.473 4.100 40 0 FIABRO CC[C@H](C)[N@H+](CC(C)C)C[C@](C)(O)CNc1cc(OC)cc2cccnc21 ZINC000004522427 570594971 /nfs/dbraw/zinc/59/49/71/570594971.db2.gz MBVJHPHECDEUPH-HTAPYJJXSA-N 1 0 373.541 4.163 40 0 FIABRO CC[NH+](CC)C[C@@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc21 ZINC000005840025 570636954 /nfs/dbraw/zinc/63/69/54/570636954.db2.gz CFPGDXVOLYZBLM-JOCHJYFZSA-N 1 0 350.462 4.286 40 0 FIABRO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000001370427 570652033 /nfs/dbraw/zinc/65/20/33/570652033.db2.gz MRBKHRPSGCPYCM-SEJPIABJSA-N 1 0 364.489 4.011 40 0 FIABRO COc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000001377874 570652276 /nfs/dbraw/zinc/65/22/76/570652276.db2.gz ZUXJTOIUGBYYCU-ALOPSCKCSA-N 1 0 370.518 4.072 40 0 FIABRO CCc1n(C)c2ccccc2[n+]1CC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000003878728 570663277 /nfs/dbraw/zinc/66/32/77/570663277.db2.gz FXJNAOPQWIPEMZ-HLIPFELVSA-N 1 0 357.518 4.032 40 0 FIABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1Cl)C2 ZINC000004886916 570672550 /nfs/dbraw/zinc/67/25/50/570672550.db2.gz FABPAWUGIBMLHM-GOOCMWNKSA-N 1 0 351.947 4.422 40 0 FIABRO CC[C@@H](CO)[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008326247 570680278 /nfs/dbraw/zinc/68/02/78/570680278.db2.gz RWOXUULJHXUMOH-IBGZPJMESA-N 1 0 353.437 4.418 40 0 FIABRO COc1ccc([C@@H]2C[N@H+](C[C@H](C)c3ccccc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128544 570720582 /nfs/dbraw/zinc/72/05/82/570720582.db2.gz PLDVYRZCXMGCLN-BULFRSBZSA-N 1 0 361.489 4.405 40 0 FIABRO C[N@H+](Cc1ccc2ncccc2c1)Cc1cc(-c2ccc(F)cc2)c[nH]c1=O ZINC000012144079 570722170 /nfs/dbraw/zinc/72/21/70/570722170.db2.gz ZVIARANQLMXGTO-UHFFFAOYSA-N 1 0 373.431 4.361 40 0 FIABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc(C)s1 ZINC000012147001 570722780 /nfs/dbraw/zinc/72/27/80/570722780.db2.gz WDHPGWMLSVPDOB-UHFFFAOYSA-N 1 0 355.507 4.354 40 0 FIABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cnn(Cc3ccccc3)c2C)on1 ZINC000012366538 570739225 /nfs/dbraw/zinc/73/92/25/570739225.db2.gz BJCCIPARRKWLMY-SIKLNZKXSA-N 1 0 364.493 4.037 40 0 FIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000013674518 570783715 /nfs/dbraw/zinc/78/37/15/570783715.db2.gz SLXIHUDESNWVTR-KDURUIRLSA-N 1 0 350.506 4.451 40 0 FIABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000006949748 570786299 /nfs/dbraw/zinc/78/62/99/570786299.db2.gz NLESUBXCKDWHHF-UHFFFAOYSA-N 1 0 351.244 4.136 40 0 FIABRO O=C(NCC[NH+]1CCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000013717293 570786428 /nfs/dbraw/zinc/78/64/28/570786428.db2.gz KGBAXSJTPZPKIU-UHFFFAOYSA-N 1 0 353.491 4.485 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c1 ZINC000224528054 570992382 /nfs/dbraw/zinc/99/23/82/570992382.db2.gz RNLLIOCVBZFYEP-UHFFFAOYSA-N 1 0 370.924 4.219 40 0 FIABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000224540026 570992736 /nfs/dbraw/zinc/99/27/36/570992736.db2.gz CSQHAXFJZRYJEL-UHFFFAOYSA-N 1 0 362.517 4.481 40 0 FIABRO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000224851295 571002656 /nfs/dbraw/zinc/00/26/56/571002656.db2.gz NWRIKRXMQPRIPN-UHFFFAOYSA-N 1 0 366.505 4.310 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1cc(C)ccc1C(C)C ZINC000225102395 571014900 /nfs/dbraw/zinc/01/49/00/571014900.db2.gz IWEZEIHKJOSJNK-LJQANCHMSA-N 1 0 360.542 4.268 40 0 FIABRO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039762765 571023387 /nfs/dbraw/zinc/02/33/87/571023387.db2.gz JKLOWVLAPPMHLQ-UHFFFAOYSA-N 1 0 370.468 4.464 40 0 FIABRO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000039772573 571024101 /nfs/dbraw/zinc/02/41/01/571024101.db2.gz ZBXNQKZSYPVKBD-UHFFFAOYSA-N 1 0 364.533 4.264 40 0 FIABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220814 571027980 /nfs/dbraw/zinc/02/79/80/571027980.db2.gz HTRMDCTWRJAVFF-MRXNPFEDSA-N 1 0 358.869 4.199 40 0 FIABRO O=C(CCc1ccc(Cl)cc1Cl)NCCC[NH+]1CCCCCC1 ZINC000225372720 571031693 /nfs/dbraw/zinc/03/16/93/571031693.db2.gz DHMSLLXNSPQPKV-UHFFFAOYSA-N 1 0 357.325 4.308 40 0 FIABRO O=C(CCc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556298 571048108 /nfs/dbraw/zinc/04/81/08/571048108.db2.gz XQOFVYFQNZIKJB-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225603091 571048933 /nfs/dbraw/zinc/04/89/33/571048933.db2.gz YHIMEIWZTBNRQX-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCC1 ZINC000225628439 571050736 /nfs/dbraw/zinc/05/07/36/571050736.db2.gz CPYRHSSQBXDIAE-SFHVURJKSA-N 1 0 374.525 4.228 40 0 FIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225650647 571052652 /nfs/dbraw/zinc/05/26/52/571052652.db2.gz KJERBRHEYPSQRO-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225703539 571057235 /nfs/dbraw/zinc/05/72/35/571057235.db2.gz QOLIKGFEMOBGJA-NRFANRHFSA-N 1 0 364.530 4.331 40 0 FIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000225728930 571060073 /nfs/dbraw/zinc/06/00/73/571060073.db2.gz WVUZWHNHIWSNSU-ZIAGYGMSSA-N 1 0 373.488 4.360 40 0 FIABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000038752847 571085906 /nfs/dbraw/zinc/08/59/06/571085906.db2.gz BCWBJXZIKLIVCW-MSOLQXFVSA-N 1 0 366.505 4.418 40 0 FIABRO Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848703 571087812 /nfs/dbraw/zinc/08/78/12/571087812.db2.gz XDQWHJITONPMHJ-IBGZPJMESA-N 1 0 356.897 4.177 40 0 FIABRO Cc1nc2sccn2c1C[N@H+](CCCn1ccnc1)C[C@H]1CC=CCC1 ZINC000043277738 571100330 /nfs/dbraw/zinc/10/03/30/571100330.db2.gz MGFONALXWQVBNE-SFHVURJKSA-N 1 0 369.538 4.149 40 0 FIABRO O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044932968 571104774 /nfs/dbraw/zinc/10/47/74/571104774.db2.gz CABHMTIXRDPSCZ-DENIHFKCSA-N 1 0 366.480 4.232 40 0 FIABRO CC[C@@H](C)[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421031 571149543 /nfs/dbraw/zinc/14/95/43/571149543.db2.gz MAFLQVRDBZMBBE-YLJYHZDGSA-N 1 0 357.519 4.064 40 0 FIABRO C[C@H](NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000072344535 571179773 /nfs/dbraw/zinc/17/97/73/571179773.db2.gz SRIZHVZQARZTTN-AWEZNQCLSA-N 1 0 368.443 4.222 40 0 FIABRO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)c1 ZINC000072348540 571179910 /nfs/dbraw/zinc/17/99/10/571179910.db2.gz XUFFMQBLEYUMFT-IBGZPJMESA-N 1 0 363.505 4.360 40 0 FIABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348950 571180556 /nfs/dbraw/zinc/18/05/56/571180556.db2.gz PCFUQPDIGOAMSK-HXUWFJFHSA-N 1 0 373.500 4.456 40 0 FIABRO Fc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350098 571181692 /nfs/dbraw/zinc/18/16/92/571181692.db2.gz QSJBIRLDVRRXAX-GOSISDBHSA-N 1 0 354.469 4.170 40 0 FIABRO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357717 571182757 /nfs/dbraw/zinc/18/27/57/571182757.db2.gz KIWRYKRQHBNUTP-QFIPXVFZSA-N 1 0 359.473 4.413 40 0 FIABRO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072357684 571182781 /nfs/dbraw/zinc/18/27/81/571182781.db2.gz CUIORXNRBQVEAD-JOCHJYFZSA-N 1 0 359.473 4.413 40 0 FIABRO CCC[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371198 571185392 /nfs/dbraw/zinc/18/53/92/571185392.db2.gz DJJGZALKFKINQI-CQSZACIVSA-N 1 0 367.415 4.249 40 0 FIABRO c1ccc(Nc2nccc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)n2)nc1 ZINC000072377840 571186553 /nfs/dbraw/zinc/18/65/53/571186553.db2.gz KJQGOSXPQPZCCE-GOSISDBHSA-N 1 0 351.498 4.375 40 0 FIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c1 ZINC000072390081 571189644 /nfs/dbraw/zinc/18/96/44/571189644.db2.gz ODVDVFNUBJSFBH-HNNXBMFYSA-N 1 0 355.463 4.186 40 0 FIABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000257313529 571216001 /nfs/dbraw/zinc/21/60/01/571216001.db2.gz UTADVVGQSDLMRJ-WOIUINJBSA-N 1 0 357.542 4.187 40 0 FIABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)cs1 ZINC000585104423 571224003 /nfs/dbraw/zinc/22/40/03/571224003.db2.gz IHXUZETUEOONJE-FQEVSTJZSA-N 1 0 372.534 4.121 40 0 FIABRO CC(C)[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3cccs3)CC2)C1 ZINC000585105728 571224022 /nfs/dbraw/zinc/22/40/22/571224022.db2.gz IBTQDLOZQDDZEI-UHFFFAOYSA-N 1 0 354.519 4.146 40 0 FIABRO Cc1cn2c(cccc2[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000585182460 571238174 /nfs/dbraw/zinc/23/81/74/571238174.db2.gz XWJRNLKTLKVBPH-QGZVFWFLSA-N 1 0 372.472 4.073 40 0 FIABRO COc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000002685813 571292687 /nfs/dbraw/zinc/29/26/87/571292687.db2.gz JCMGAXSQIBOSJA-AEFFLSMTSA-N 1 0 357.494 4.083 40 0 FIABRO Cc1cccc(CSCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010327089 571303046 /nfs/dbraw/zinc/30/30/46/571303046.db2.gz DLSRBLHKSNGNJJ-UHFFFAOYSA-N 1 0 368.546 4.254 40 0 FIABRO O=C(Nc1ccc(Br)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010324425 571303094 /nfs/dbraw/zinc/30/30/94/571303094.db2.gz NZHLHEXAWBMLEF-UHFFFAOYSA-N 1 0 359.267 4.297 40 0 FIABRO O=C(Nc1cccc(Br)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010333161 571303163 /nfs/dbraw/zinc/30/31/63/571303163.db2.gz OKYHKBKTQDYBOS-UHFFFAOYSA-N 1 0 359.267 4.297 40 0 FIABRO CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(C[N@H+](C)C3CCCC3)cc2)C1 ZINC000019711937 571304606 /nfs/dbraw/zinc/30/46/06/571304606.db2.gz SKAWSTOPHMXVGE-YADHBBJMSA-N 1 0 358.526 4.150 40 0 FIABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000038832821 571306328 /nfs/dbraw/zinc/30/63/28/571306328.db2.gz DUJMFFOAICBBPW-LPHOPBHVSA-N 1 0 356.897 4.429 40 0 FIABRO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000009063155 1088876113 /nfs/dbraw/zinc/87/61/13/1088876113.db2.gz NJBVZGQRZLTNGX-UHFFFAOYSA-N 1 0 350.462 4.048 40 0 FIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C1 ZINC000224333521 222811672 /nfs/dbraw/zinc/81/16/72/222811672.db2.gz VVTZWFAMYQXDDB-QGZVFWFLSA-N 1 0 354.469 4.030 40 0 FIABRO O=C(Cc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224536471 222814369 /nfs/dbraw/zinc/81/43/69/222814369.db2.gz GSMWGSAKZWBPAR-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO CCOc1ccc(C(=O)NCC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000005001942 219638604 /nfs/dbraw/zinc/63/86/04/219638604.db2.gz BISSFFRWVWPNNY-UHFFFAOYSA-N 1 0 358.526 4.107 40 0 FIABRO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)n1 ZINC000257288721 223052690 /nfs/dbraw/zinc/05/26/90/223052690.db2.gz PVHNBEZMTCBAOU-QGZVFWFLSA-N 1 0 365.456 4.002 40 0 FIABRO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccc(-c3ccc(F)cc3)nc2)cn1 ZINC000257309618 223060986 /nfs/dbraw/zinc/06/09/86/223060986.db2.gz UBQNZCQZFLXWCF-OAQYLSRUSA-N 1 0 350.441 4.348 40 0 FIABRO Cc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007404773 219804296 /nfs/dbraw/zinc/80/42/96/219804296.db2.gz FTSQRMCSQDPJKT-UHFFFAOYSA-N 1 0 353.535 4.468 40 0 FIABRO C[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008376991 219861260 /nfs/dbraw/zinc/86/12/60/219861260.db2.gz GRFSJEDWMADSMT-UHFFFAOYSA-N 1 0 353.293 4.272 40 0 FIABRO Cc1cc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)ccc1C(C)C ZINC000328956381 223125120 /nfs/dbraw/zinc/12/51/20/223125120.db2.gz AFSNNDACQKJCQH-UHFFFAOYSA-N 1 0 367.541 4.315 40 0 FIABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1OC ZINC000012088984 219952033 /nfs/dbraw/zinc/95/20/33/219952033.db2.gz FYHHTUHNZUTAER-UDKICSLYSA-N 1 0 352.478 4.161 40 0 FIABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)CC(C)(C)C)Cc1ccccc1O2 ZINC000019082730 220235435 /nfs/dbraw/zinc/23/54/35/220235435.db2.gz FSYIESYKJWAKIB-UHFFFAOYSA-N 1 0 358.526 4.087 40 0 FIABRO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC000019208583 220239650 /nfs/dbraw/zinc/23/96/50/220239650.db2.gz PGEBEJIDJYEGFH-UHFFFAOYSA-N 1 0 352.453 4.407 40 0 FIABRO Cc1ccsc1C[N@H+](Cc1cccc(Oc2ncccn2)c1)C[C@@H](C)O ZINC000019238593 220243188 /nfs/dbraw/zinc/24/31/88/220243188.db2.gz GDRAHUQFNOFUEK-MRXNPFEDSA-N 1 0 369.490 4.022 40 0 FIABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000019236807 220243709 /nfs/dbraw/zinc/24/37/09/220243709.db2.gz GWFOARLPBFFKPW-DENIHFKCSA-N 1 0 365.521 4.229 40 0 FIABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](CC(C)C)CC1 ZINC000019236854 220243896 /nfs/dbraw/zinc/24/38/96/220243896.db2.gz OGZINXGDOROPMZ-QFIPXVFZSA-N 1 0 365.521 4.229 40 0 FIABRO O=C(C1[C@@H]2CCCC[C@H]12)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294280 220249412 /nfs/dbraw/zinc/24/94/12/220249412.db2.gz SNMDIRNDGXSROL-PUNYKABCSA-N 1 0 370.512 4.089 40 0 FIABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CC4)on3)C2)cc1 ZINC000019453214 220258561 /nfs/dbraw/zinc/25/85/61/220258561.db2.gz NAEWUFCCPMNJIB-GOSISDBHSA-N 1 0 367.493 4.070 40 0 FIABRO CCn1cc(C[NH+]2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)cn1 ZINC000019524903 220265168 /nfs/dbraw/zinc/26/51/68/220265168.db2.gz NKYYESYSPUUXMA-UHFFFAOYSA-N 1 0 364.493 4.148 40 0 FIABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(Br)s1 ZINC000019582677 220275229 /nfs/dbraw/zinc/27/52/29/220275229.db2.gz MKRLEUQMMHTLMC-UHFFFAOYSA-N 1 0 359.358 4.136 40 0 FIABRO CN(C(=O)CC1CCCC1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590846 220278163 /nfs/dbraw/zinc/27/81/63/220278163.db2.gz PJLFYPWSKNLCDY-UHFFFAOYSA-N 1 0 370.537 4.231 40 0 FIABRO CC[C@H](C[NH+]1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1 ZINC000019719498 220292343 /nfs/dbraw/zinc/29/23/43/220292343.db2.gz QRYISQGATPNWRW-OAQYLSRUSA-N 1 0 363.509 4.232 40 0 FIABRO CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872873 220961797 /nfs/dbraw/zinc/96/17/97/220961797.db2.gz KIYSJUDWXDEWFR-NRFANRHFSA-N 1 0 366.505 4.065 40 0 FIABRO Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875262 220962606 /nfs/dbraw/zinc/96/26/06/220962606.db2.gz NDBKUMZCBRQIGK-IBGZPJMESA-N 1 0 366.505 4.065 40 0 FIABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)o1 ZINC000049170019 221020260 /nfs/dbraw/zinc/02/02/60/221020260.db2.gz PQWVLVISPJKLDC-HNNXBMFYSA-N 1 0 374.444 4.216 40 0 biogenic,in-vitro FIABRO c1cc2n(c1)-c1ccccc1N[C@]21CCC[N@@H+](CCOc2ccccc2)C1 ZINC000057731714 221092888 /nfs/dbraw/zinc/09/28/88/221092888.db2.gz QLKZBQJZVXKNTD-QHCPKHFHSA-N 1 0 359.473 4.273 40 0 FIABRO C[NH+]1CCC(=C2c3ccc(Br)cc3CCc3cccnc32)CC1 ZINC000065739856 221235827 /nfs/dbraw/zinc/23/58/27/221235827.db2.gz KJSNJESAJZNSSK-UHFFFAOYSA-N 1 0 369.306 4.470 40 0 in-vitro FIABRO Cc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329051451 132373157 /nfs/dbraw/zinc/37/31/57/132373157.db2.gz UXNBUXWWVOXGHU-OAHLLOKOSA-N 1 0 366.509 4.146 40 0 FIABRO FC(F)(F)c1ccc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000096245615 222099700 /nfs/dbraw/zinc/09/97/00/222099700.db2.gz VYQLLCDAZLDPDV-RTBURBONSA-N 1 0 360.423 4.269 40 0 FIABRO O=C(CCc1ccc(F)cc1)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096156936 222057525 /nfs/dbraw/zinc/05/75/25/222057525.db2.gz FJEPKYAIAPPKIA-UHFFFAOYSA-N 1 0 372.871 4.080 40 0 FIABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000100750254 222252158 /nfs/dbraw/zinc/25/21/58/222252158.db2.gz CXXNKXDSYMRXMQ-VWKPWSFCSA-N 1 0 363.461 4.064 40 0 FIABRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc([C@@H](C)O)cc3)o2)cc1 ZINC000007541082 263351859 /nfs/dbraw/zinc/35/18/59/263351859.db2.gz MJHXDBYSRAUFNN-MRXNPFEDSA-N 1 0 351.446 4.341 40 0 FIABRO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCc2ccccc21 ZINC000022913887 263385784 /nfs/dbraw/zinc/38/57/84/263385784.db2.gz XIJLMMHLYCSAEG-UHFFFAOYSA-N 1 0 368.480 4.448 40 0 FIABRO CC(C)C(NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)C(C)C ZINC000039751274 263399495 /nfs/dbraw/zinc/39/94/95/263399495.db2.gz VQAMAJNSMGHZGY-UHFFFAOYSA-N 1 0 350.934 4.349 40 0 FIABRO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)c1 ZINC000306142241 534513393 /nfs/dbraw/zinc/51/33/93/534513393.db2.gz WUGLLGQBWDAHEM-KRWDZBQOSA-N 1 0 350.441 4.267 40 0 FIABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[N@H+](C)Cc3cccnc3)C=C2C)o1 ZINC000035442636 560079767 /nfs/dbraw/zinc/07/97/67/560079767.db2.gz UXHLQCSYSLXQGJ-ACRUOGEOSA-N 1 0 368.525 4.302 40 0 biogenic,in-vitro FIABRO Fc1ccc(-c2csc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000026416572 568651394 /nfs/dbraw/zinc/65/13/94/568651394.db2.gz HTTZUZVADVLFBW-UHFFFAOYSA-N 1 0 353.466 4.271 40 0 FIABRO Fc1ccc(C[N@@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000585260855 570480441 /nfs/dbraw/zinc/48/04/41/570480441.db2.gz MRDULJAXHBJNIU-INIZCTEOSA-N 1 0 369.415 4.256 40 0 FIABRO O[C@]1(COc2cccc(Cl)c2)CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585272612 570486788 /nfs/dbraw/zinc/48/67/88/570486788.db2.gz OEQZRUWCBIJXDW-OAQYLSRUSA-N 1 0 370.880 4.227 40 0 FIABRO CC1(C)CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@]2(O)CC[C@H](c3ccccc3)CC2)O1 ZINC000585286086 570494530 /nfs/dbraw/zinc/49/45/30/570494530.db2.gz MZVUQCDUEVKSBJ-FQOCKNPQSA-N 1 0 357.538 4.497 40 0 FIABRO OCc1ccc(-c2cncc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cc1 ZINC000072359361 570546008 /nfs/dbraw/zinc/54/60/08/570546008.db2.gz MNTVWYGJVLCLNI-QFIPXVFZSA-N 1 0 373.500 4.058 40 0 FIABRO CCCC[NH+](CCCC)C[C@H](O)COC(=O)Nc1cccc(Cl)c1 ZINC000004803249 570606953 /nfs/dbraw/zinc/60/69/53/570606953.db2.gz SIHWPWSSOYTRBD-KRWDZBQOSA-N 1 0 356.894 4.152 40 0 FIABRO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCC2)cc1 ZINC000004887491 570612319 /nfs/dbraw/zinc/61/23/19/570612319.db2.gz DPMWZHKEDNJDDD-JLYLLQBASA-N 1 0 361.530 4.440 40 0 FIABRO CC[NH+](CC)CCOC(=O)[C@@](O)(C1CCCCC1)C1[C@@H](C)CCC[C@@H]1C ZINC000005047935 570619610 /nfs/dbraw/zinc/61/96/10/570619610.db2.gz QLRZGUBJCXPDGG-NPPFBWRTSA-N 1 0 367.574 4.255 40 0 FIABRO CCC[NH2+]C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000005838858 570637023 /nfs/dbraw/zinc/63/70/23/570637023.db2.gz YGTWRJXPPATPFF-GFCCVEGCSA-N 1 0 366.305 4.305 40 0 FIABRO CCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000007262335 570662088 /nfs/dbraw/zinc/66/20/88/570662088.db2.gz TWRXHBKIQCJMNW-UHFFFAOYSA-N 1 0 351.082 4.110 40 0 FIABRO O=C(COc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850155 570674319 /nfs/dbraw/zinc/67/43/19/570674319.db2.gz HXGPEQRKYADHLP-UHFFFAOYSA-N 1 0 372.896 4.021 40 0 FIABRO CCN(CC)C(=O)Cn1c(C)c(/C=C/C2=CC[N@H+](C)CC2)c2ccccc21 ZINC000004933147 570674632 /nfs/dbraw/zinc/67/46/32/570674632.db2.gz DOYMXLPGZRSIKS-VAWYXSNFSA-N 1 0 365.521 4.093 40 0 FIABRO CC[NH+](CC)CCCNc1c(C)c(C)nc2cc(-c3cccc(C)c3)nn21 ZINC000004980198 570676288 /nfs/dbraw/zinc/67/62/88/570676288.db2.gz CBXXBQXYLPKPGX-UHFFFAOYSA-N 1 0 365.525 4.465 40 0 FIABRO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000008535078 570682784 /nfs/dbraw/zinc/68/27/84/570682784.db2.gz NSSGMQURAFCCHO-GFCCVEGCSA-N 1 0 370.276 4.051 40 0 FIABRO Cc1nc[nH]c1CN(Cc1ccc(F)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116736 570719748 /nfs/dbraw/zinc/71/97/48/570719748.db2.gz UTCOUNMQQKKCSM-UHFFFAOYSA-N 1 0 358.505 4.169 40 0 FIABRO CC[N@@H+]1CCC[C@@H]1CNc1ncc(-c2ccncc2)c(-c2ccoc2C)n1 ZINC000012222129 570729512 /nfs/dbraw/zinc/72/95/12/570729512.db2.gz MCAVBWKNNZNAMZ-QGZVFWFLSA-N 1 0 363.465 4.003 40 0 FIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000013674514 570783755 /nfs/dbraw/zinc/78/37/55/570783755.db2.gz SLXIHUDESNWVTR-RTBURBONSA-N 1 0 350.506 4.451 40 0 FIABRO COCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008469240 570795991 /nfs/dbraw/zinc/79/59/91/570795991.db2.gz RESJVCJCTFHXJI-UHFFFAOYSA-N 1 0 370.276 4.317 40 0 FIABRO Cc1cccc(CNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009062665 570797177 /nfs/dbraw/zinc/79/71/77/570797177.db2.gz RXESPPAQLHUWKR-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000009063114 570797205 /nfs/dbraw/zinc/79/72/05/570797205.db2.gz OGMUBAJODGZHKK-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO CC[N@H+](C)[C@H]1CN(C(=O)c2cccc3cccnc32)C2(C1)CCCCC2 ZINC000019704015 570857144 /nfs/dbraw/zinc/85/71/44/570857144.db2.gz WFDBYTRXIPMTHK-GOSISDBHSA-N 1 0 351.494 4.104 40 0 FIABRO Cc1cc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000017074048 570869259 /nfs/dbraw/zinc/86/92/59/570869259.db2.gz BSBPCOYGPXHWEV-UHFFFAOYSA-N 1 0 358.869 4.262 40 0 FIABRO C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCC[N@H+](C)Cc2ccccc2)o1 ZINC000036697610 570881349 /nfs/dbraw/zinc/88/13/49/570881349.db2.gz RUPTYKLQBBRNLK-NIYJZGOVSA-N 1 0 352.478 4.055 40 0 FIABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024389980 570975317 /nfs/dbraw/zinc/97/53/17/570975317.db2.gz LYPRIOUOZUGGLN-INIZCTEOSA-N 1 0 372.896 4.020 40 0 FIABRO CC(C)c1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024389720 570975346 /nfs/dbraw/zinc/97/53/46/570975346.db2.gz CEKWDLQZGAUJSY-UHFFFAOYSA-N 1 0 366.505 4.101 40 0 FIABRO C[C@H](CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000224331433 570985234 /nfs/dbraw/zinc/98/52/34/570985234.db2.gz CEHMWWKPRYLQKL-LJQANCHMSA-N 1 0 350.506 4.452 40 0 FIABRO CCSc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224792134 571000930 /nfs/dbraw/zinc/00/09/30/571000930.db2.gz WINPECWIBMJONC-UHFFFAOYSA-N 1 0 354.519 4.324 40 0 FIABRO CCc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000224933370 571006296 /nfs/dbraw/zinc/00/62/96/571006296.db2.gz JICMJDSKRPXHJL-LAUBAEHRSA-N 1 0 368.496 4.478 40 0 FIABRO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000225188131 571020908 /nfs/dbraw/zinc/02/09/08/571020908.db2.gz KCGUSGNMYMIGKA-GOSISDBHSA-N 1 0 366.505 4.093 40 0 FIABRO O=C(NC12CC3CC(CC(C3)C1)C2)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039771981 571024004 /nfs/dbraw/zinc/02/40/04/571024004.db2.gz JGYVBQGWMRPBTF-UHFFFAOYSA-N 1 0 370.512 4.123 40 0 FIABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225636242 571051501 /nfs/dbraw/zinc/05/15/01/571051501.db2.gz TXRGIEXBGRNBBS-AVRDEDQJSA-N 1 0 374.525 4.085 40 0 FIABRO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030943628 571052616 /nfs/dbraw/zinc/05/26/16/571052616.db2.gz XEFRVLZQVPSNCK-SIKLNZKXSA-N 1 0 350.506 4.036 40 0 FIABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCC1 ZINC000225655038 571052992 /nfs/dbraw/zinc/05/29/92/571052992.db2.gz QRUGWFZBZYZKMW-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCCCC1 ZINC000225657343 571053169 /nfs/dbraw/zinc/05/31/69/571053169.db2.gz IYAWWCOYKLBTRW-UHFFFAOYSA-N 1 0 362.514 4.085 40 0 FIABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCCc2ccccc21 ZINC000030946781 571053301 /nfs/dbraw/zinc/05/33/01/571053301.db2.gz SSWSQGVQTKSPIH-IBGZPJMESA-N 1 0 352.453 4.017 40 0 FIABRO CC(C)Oc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225730564 571060002 /nfs/dbraw/zinc/06/00/02/571060002.db2.gz GHQZITJQIQSHEA-CALCHBBNSA-N 1 0 363.571 4.128 40 0 FIABRO CC(C)Oc1cccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225730663 571060009 /nfs/dbraw/zinc/06/00/09/571060009.db2.gz UVDHBOBDMUIHGV-CALCHBBNSA-N 1 0 363.571 4.128 40 0 FIABRO COc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000225728095 571060064 /nfs/dbraw/zinc/06/00/64/571060064.db2.gz CHLQNXMHHFDUBI-OKILXGFUSA-N 1 0 369.962 4.003 40 0 FIABRO Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)cc1 ZINC000035290341 571076471 /nfs/dbraw/zinc/07/64/71/571076471.db2.gz FSFPNTJCKHFHHB-FRIKZZABSA-N 1 0 366.480 4.450 40 0 FIABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000225902310 571078829 /nfs/dbraw/zinc/07/88/29/571078829.db2.gz KXPXDLPUFPXZEO-QFBILLFUSA-N 1 0 356.897 4.429 40 0 FIABRO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000036752908 571081850 /nfs/dbraw/zinc/08/18/50/571081850.db2.gz DPBAZJNSGLGGGH-HXUWFJFHSA-N 1 0 352.526 4.094 40 0 FIABRO CCOC(=O)[C@@H]1C[C@]2(CC)CCCN3CCc4c5ccccc5n1c4[C@@H]32 ZINC000039295337 571088886 /nfs/dbraw/zinc/08/88/86/571088886.db2.gz UJAQRLRRCXIJFW-DWLFOUALSA-N 1 0 352.478 4.239 40 0 FIABRO CC(C)(C)c1n[nH]cc1C[N@H+](CCCn1ccnc1)C[C@@H]1CC=CCC1 ZINC000043277745 571100326 /nfs/dbraw/zinc/10/03/26/571100326.db2.gz BKDILGHEBIMTPO-GOSISDBHSA-N 1 0 355.530 4.152 40 0 FIABRO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044852959 571103106 /nfs/dbraw/zinc/10/31/06/571103106.db2.gz TXLCCXYKXUHRTN-IBGZPJMESA-N 1 0 366.505 4.178 40 0 FIABRO COc1ccccc1CN(C)C(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044940955 571105310 /nfs/dbraw/zinc/10/53/10/571105310.db2.gz SLASZSJLKZNYQQ-UHFFFAOYSA-N 1 0 366.505 4.199 40 0 FIABRO CC[C@@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328988465 571106347 /nfs/dbraw/zinc/10/63/47/571106347.db2.gz IGZJGPQNIFPSPA-CVEARBPZSA-N 1 0 368.525 4.426 40 0 FIABRO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260760791 571122229 /nfs/dbraw/zinc/12/22/29/571122229.db2.gz ACPHXIRPBSQXKX-ROUUACIJSA-N 1 0 366.505 4.418 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260814503 571123590 /nfs/dbraw/zinc/12/35/90/571123590.db2.gz JTDVTPKAIMVXIK-GOSISDBHSA-N 1 0 374.525 4.228 40 0 FIABRO COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1sccc1C)CC2 ZINC000253599067 571138778 /nfs/dbraw/zinc/13/87/78/571138778.db2.gz KPKYAKWTGAVQHA-GOSISDBHSA-N 1 0 374.550 4.010 40 0 FIABRO C[C@H]1C[C@@H]1C(=O)NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000072343204 571179794 /nfs/dbraw/zinc/17/97/94/571179794.db2.gz VYMNHOWTMIKDOZ-HSQYWUDLSA-N 1 0 354.538 4.197 40 0 FIABRO OCc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348844 571180172 /nfs/dbraw/zinc/18/01/72/571180172.db2.gz ZZTYRKAJQCDFPA-OAQYLSRUSA-N 1 0 359.473 4.016 40 0 FIABRO COc1cccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348824 571180187 /nfs/dbraw/zinc/18/01/87/571180187.db2.gz LYONUDKCBQWRCL-NRFANRHFSA-N 1 0 373.500 4.456 40 0 FIABRO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072350001 571181276 /nfs/dbraw/zinc/18/12/76/571181276.db2.gz VUWPPAFDLYPENZ-QGZVFWFLSA-N 1 0 350.441 4.001 40 0 FIABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072349952 571181468 /nfs/dbraw/zinc/18/14/68/571181468.db2.gz DYOIHNICOKYEGD-KRWDZBQOSA-N 1 0 350.441 4.001 40 0 FIABRO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072350275 571181775 /nfs/dbraw/zinc/18/17/75/571181775.db2.gz WCFDUIUKTRFXAK-KRWDZBQOSA-N 1 0 364.468 4.484 40 0 FIABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377408 571186006 /nfs/dbraw/zinc/18/60/06/571186006.db2.gz RDAYYTAVUGXJGW-QGZVFWFLSA-N 1 0 363.440 4.134 40 0 FIABRO Cc1noc2nc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)cc(C(F)F)c12 ZINC000072390185 571189690 /nfs/dbraw/zinc/18/96/90/571189690.db2.gz DHZADJLRYYOJKO-CQSZACIVSA-N 1 0 358.392 4.243 40 0 FIABRO Cc1ccc2c(c1)CN(Cc1cc(F)cc(F)c1)CC1(CC[NH+](C)CC1)O2 ZINC000072394186 571190264 /nfs/dbraw/zinc/19/02/64/571190264.db2.gz GIEBTAVZHPYROS-UHFFFAOYSA-N 1 0 372.459 4.132 40 0 FIABRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3)CC2)N1Cc1ccccc1 ZINC000585100124 571221177 /nfs/dbraw/zinc/22/11/77/571221177.db2.gz GFEBNZLOTOPTTI-HSZRJFAPSA-N 1 0 366.480 4.373 40 0 FIABRO CC(C)[N@@H+]1CC[C@H](CCc2ccc(NC(=O)[C@H]3CCCO3)cc2)[C@H](C)C1 ZINC000247980925 571291000 /nfs/dbraw/zinc/29/10/00/571291000.db2.gz HCJTYJZVXXRLGC-SLYNCCJLSA-N 1 0 358.526 4.103 40 0 FIABRO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062526 571302336 /nfs/dbraw/zinc/30/23/36/571302336.db2.gz UJQDTAQPWMIUOF-UHFFFAOYSA-N 1 0 370.924 4.301 40 0 FIABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3ccncc3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713524 571304774 /nfs/dbraw/zinc/30/47/74/571304774.db2.gz FRQSIJHEUCURCT-FUDKSRODSA-N 1 0 363.505 4.302 40 0 FIABRO Fc1ccc(OCc2cc([C@H]3CC[N@H+](CCc4ccccc4)C3)n[nH]2)cc1 ZINC000019738942 571304852 /nfs/dbraw/zinc/30/48/52/571304852.db2.gz ZDXTVHJFVBLJGJ-SFHVURJKSA-N 1 0 365.452 4.160 40 0 FIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000006629865 1088449939 /nfs/dbraw/zinc/44/99/39/1088449939.db2.gz CEVKRVXDWVWBQC-NTCAYCPXSA-N 1 0 367.518 4.055 40 0 FIABRO Cc1ccc(S[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224592092 222816457 /nfs/dbraw/zinc/81/64/57/222816457.db2.gz FACZTIVZLOJTRL-SFHVURJKSA-N 1 0 368.546 4.388 40 0 FIABRO Cc1ccc(SCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224644742 222817630 /nfs/dbraw/zinc/81/76/30/222817630.db2.gz ALZPDCVDLFMGNO-UHFFFAOYSA-N 1 0 368.546 4.389 40 0 FIABRO COc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224705654 222819112 /nfs/dbraw/zinc/81/91/12/222819112.db2.gz FOXKCHFGGUNWKA-UHFFFAOYSA-N 1 0 353.466 4.003 40 0 FIABRO C[NH+](C)CCCNc1nc(Nc2cccc(F)c2)cc(-c2ccccc2)n1 ZINC000243352388 222921445 /nfs/dbraw/zinc/92/14/45/222921445.db2.gz LWCQYVAGZXXCIH-UHFFFAOYSA-N 1 0 365.456 4.390 40 0 FIABRO O=C(NCC[NH+]1CCCCCC1)c1ncoc1-c1ccc2ccccc2c1 ZINC000005002088 219638438 /nfs/dbraw/zinc/63/84/38/219638438.db2.gz HFUMRCVIBAGCGC-UHFFFAOYSA-N 1 0 363.461 4.101 40 0 FIABRO Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000007696805 219817562 /nfs/dbraw/zinc/81/75/62/219817562.db2.gz LEEWZYUVRCZKDD-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257329400 223068085 /nfs/dbraw/zinc/06/80/85/223068085.db2.gz XJVKBVZKACJWOK-QGZVFWFLSA-N 1 0 363.440 4.134 40 0 FIABRO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@H+](CC3CCOCC3)C2)o1 ZINC000257341293 223072182 /nfs/dbraw/zinc/07/21/82/223072182.db2.gz ZJTDVGPWDZESAK-GOSISDBHSA-N 1 0 358.457 4.011 40 0 FIABRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC(C)C ZINC000012366544 219985571 /nfs/dbraw/zinc/98/55/71/219985571.db2.gz WFSJJVRSVHNOOD-PKOBYXMFSA-N 1 0 358.482 4.280 40 0 FIABRO Cn1nc(C2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)c2cccnc21 ZINC000012670262 220016434 /nfs/dbraw/zinc/01/64/34/220016434.db2.gz MINNROXHZWVZBK-UHFFFAOYSA-N 1 0 358.848 4.140 40 0 FIABRO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc12 ZINC000013564686 220074322 /nfs/dbraw/zinc/07/43/22/220074322.db2.gz TXPQUCUUYCZGCE-UHFFFAOYSA-N 1 0 370.884 4.098 40 0 FIABRO CC(C)c1ncc(C[N@H+](CCCn2ccnc2)Cc2cccc(F)c2)cn1 ZINC000013991157 220102107 /nfs/dbraw/zinc/10/21/07/220102107.db2.gz WCDWWKRPMCLQGA-UHFFFAOYSA-N 1 0 367.472 4.028 40 0 FIABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@H+](CC4CCCCC4)[C@@H]32)cc1 ZINC000019019345 220233908 /nfs/dbraw/zinc/23/39/08/220233908.db2.gz DWLUXXUURVRIMV-DNVJHFABSA-N 1 0 370.537 4.054 40 0 FIABRO CC(C)(C)C(=O)N1CCC(c2[nH+]c3ccccn3c2NC2CCCC2)CC1 ZINC000019081084 220236303 /nfs/dbraw/zinc/23/63/03/220236303.db2.gz DZANEVIFOCFDJY-UHFFFAOYSA-N 1 0 368.525 4.441 40 0 FIABRO Cc1ccc([C@H]2[C@H]([NH2+]Cc3ccccc3)CCCN2C(=O)C2CC2)s1 ZINC000019217365 220241607 /nfs/dbraw/zinc/24/16/07/220241607.db2.gz PAVJZFKITDYDIL-UYAOXDASSA-N 1 0 354.519 4.288 40 0 FIABRO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2sccc2C)s1 ZINC000019238576 220242738 /nfs/dbraw/zinc/24/27/38/220242738.db2.gz MJKGKICUEPZEFD-UHFFFAOYSA-N 1 0 364.580 4.151 40 0 FIABRO Cc1cccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000019236120 220243352 /nfs/dbraw/zinc/24/33/52/220243352.db2.gz MZBIACVSVXTYIT-UHFFFAOYSA-N 1 0 352.526 4.096 40 0 FIABRO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000019289298 220245248 /nfs/dbraw/zinc/24/52/48/220245248.db2.gz GSSHBFNXPRRFCN-QGZVFWFLSA-N 1 0 368.506 4.080 40 0 FIABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(-c3ccc(C)s3)o2)C1 ZINC000019217639 220241323 /nfs/dbraw/zinc/24/13/23/220241323.db2.gz CWHGKWVUWDWXEV-INIZCTEOSA-N 1 0 369.490 4.495 40 0 FIABRO CCC(CC)C(=O)N(C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019500049 220263855 /nfs/dbraw/zinc/26/38/55/220263855.db2.gz HOPMPCOOVQCKSE-UHFFFAOYSA-N 1 0 358.526 4.087 40 0 FIABRO CCCn1c(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)nc2ccccc21 ZINC000019526019 220269082 /nfs/dbraw/zinc/26/90/82/220269082.db2.gz PAIOBYWMHBNFGH-FUHWJXTLSA-N 1 0 352.482 4.244 40 0 FIABRO COc1ccccc1C[NH+]1CCC(c2nnc(-c3cccs3)o2)CC1 ZINC000019570170 220272847 /nfs/dbraw/zinc/27/28/47/220272847.db2.gz XDCGFFUGUYVHEE-UHFFFAOYSA-N 1 0 355.463 4.186 40 0 FIABRO Cc1nn(C)c2nc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)ccc12 ZINC000019744602 220291234 /nfs/dbraw/zinc/29/12/34/220291234.db2.gz JXIYKUVJIBXGQS-UHFFFAOYSA-N 1 0 371.488 4.205 40 0 FIABRO Cc1c(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c2ccc(C)cc2n1C ZINC000019717613 220290773 /nfs/dbraw/zinc/29/07/73/220290773.db2.gz ZKOSHYWYYQUCLB-HXUWFJFHSA-N 1 0 363.505 4.371 40 0 FIABRO CC1(NC(=O)CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CCC1 ZINC000019748590 220294129 /nfs/dbraw/zinc/29/41/29/220294129.db2.gz LSIWPUFVLRKLCE-UHFFFAOYSA-N 1 0 368.443 4.366 40 0 FIABRO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022075162 220376710 /nfs/dbraw/zinc/37/67/10/220376710.db2.gz JYDRBZVXKGZYLB-OAQYLSRUSA-N 1 0 363.457 4.097 40 0 FIABRO CC(C)[N@@H+]1CCN(CCCCOC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000022580913 220390831 /nfs/dbraw/zinc/39/08/31/220390831.db2.gz FSKGPBHZGYLCBA-MRXNPFEDSA-N 1 0 367.921 4.083 40 0 FIABRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189847 220445107 /nfs/dbraw/zinc/44/51/07/220445107.db2.gz AKMYTUXDXYLPEV-INIZCTEOSA-N 1 0 372.896 4.020 40 0 FIABRO CCc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032463184 220662772 /nfs/dbraw/zinc/66/27/72/220662772.db2.gz CYNQECXIKVKPQU-UHFFFAOYSA-N 1 0 350.506 4.094 40 0 FIABRO O=C(CSCc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873293 220962611 /nfs/dbraw/zinc/96/26/11/220962611.db2.gz AXRPMYWQGUBYOV-UHFFFAOYSA-N 1 0 368.546 4.222 40 0 FIABRO COc1cccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3cnn(C)c3)cn2)c1 ZINC000257304939 533370763 /nfs/dbraw/zinc/37/07/63/533370763.db2.gz SNTSABLUZUPFEN-JOCHJYFZSA-N 1 0 362.477 4.218 40 0 FIABRO O=C(c1ccc(-c2cccs2)cc1)N1C[C@@H]2C[NH2+]C[C@@H]2c2ccccc21 ZINC000096157008 132221069 /nfs/dbraw/zinc/22/10/69/132221069.db2.gz SXLZOEUGHZXZSO-HKUYNNGSSA-N 1 0 360.482 4.379 40 0 FIABRO CC(C)c1cc(N2CCc3ccccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329021757 132372508 /nfs/dbraw/zinc/37/25/08/132372508.db2.gz OISFWDUVJIYQQQ-UHFFFAOYSA-N 1 0 358.489 4.197 40 0 FIABRO CC[C@@H](C)Nc1cc(N2CCc3cc(OC)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329031247 132372901 /nfs/dbraw/zinc/37/29/01/132372901.db2.gz QIBOOBYQSCSXIB-OAHLLOKOSA-N 1 0 354.498 4.382 40 0 FIABRO Fc1ccc(C[NH+]2CCC3(CCN(Cc4nccs4)CC3)CC2)cc1 ZINC000096047217 222000297 /nfs/dbraw/zinc/00/02/97/222000297.db2.gz UTENQPMMDXTSPQ-UHFFFAOYSA-N 1 0 359.514 4.160 40 0 FIABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096052699 222002976 /nfs/dbraw/zinc/00/29/76/222002976.db2.gz IOSAZBZMQGNOHX-GOSISDBHSA-N 1 0 368.546 4.248 40 0 FIABRO O=C(Nc1ccccc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccccc2F)C1 ZINC000096214636 222079898 /nfs/dbraw/zinc/07/98/98/222079898.db2.gz OMPCOLVLHXTPRT-QFIPXVFZSA-N 1 0 367.468 4.488 40 0 FIABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCCC[NH+]1CCCCCC1 ZINC000010111087 263363276 /nfs/dbraw/zinc/36/32/76/263363276.db2.gz JOBRZXGZYNVCJN-VQHVLOKHSA-N 1 0 355.309 4.389 40 0 FIABRO Cc1cc(Nc2cnccn2)cc(C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000257266325 534006189 /nfs/dbraw/zinc/00/61/89/534006189.db2.gz MCNPNCLNBQCVNH-UHFFFAOYSA-N 1 0 373.504 4.346 40 0 FIABRO CC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020111024 518442376 /nfs/dbraw/zinc/44/23/76/518442376.db2.gz GYWKCRADQUQVFG-INIZCTEOSA-N 1 0 350.462 4.373 40 0 FIABRO Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccnc(C[NH+]2CCCC2)c1 ZINC000257259037 534457486 /nfs/dbraw/zinc/45/74/86/534457486.db2.gz KWOLHYKVHAMMBI-GOSISDBHSA-N 1 0 355.507 4.025 40 0 FIABRO CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000019934075 521924496 /nfs/dbraw/zinc/92/44/96/521924496.db2.gz FOQQIYATQFNODC-KRWDZBQOSA-N 1 0 354.494 4.497 40 0 FIABRO CC(C)c1ccc(O)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000257257782 528117841 /nfs/dbraw/zinc/11/78/41/528117841.db2.gz KRBCCUOSZQJWSX-UHFFFAOYSA-N 1 0 366.505 4.432 40 0 FIABRO c1coc(C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)c1 ZINC000096038167 570472593 /nfs/dbraw/zinc/47/25/93/570472593.db2.gz AJJWTYPONJVWCV-UHFFFAOYSA-N 1 0 358.445 4.369 40 0 FIABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)s1 ZINC000096047018 570473001 /nfs/dbraw/zinc/47/30/01/570473001.db2.gz SYCUZJGQAWOPAY-IBGZPJMESA-N 1 0 360.548 4.246 40 0 FIABRO Cc1cnc(Nc2cccc(C3CC[NH+](Cc4cccnc4)CC3)n2)s1 ZINC000585262716 570481267 /nfs/dbraw/zinc/48/12/67/570481267.db2.gz WZCBYZIVXRELHH-UHFFFAOYSA-N 1 0 365.506 4.365 40 0 FIABRO CCCC[N@H+](CC(C)C)C[C@@H](O)CNc1cc(OC)cc2ccc(C)nc21 ZINC000001656129 570503593 /nfs/dbraw/zinc/50/35/93/570503593.db2.gz 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CC[N@H+](CC1CC1)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(C)=O)CC2)C1 ZINC000019712400 570858464 /nfs/dbraw/zinc/85/84/64/570858464.db2.gz XHQVOGNDOIDSGT-VXKWHMMOSA-N 1 0 370.537 4.020 40 0 FIABRO CC(=O)[C@H]1[C@H]([NH+](C)C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917578 570870463 /nfs/dbraw/zinc/87/04/63/570870463.db2.gz KIIFJDKQTHOFGN-XKMUXQCMSA-N 1 0 359.554 4.055 40 0 FIABRO COc1ccc(C)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000019933680 570907105 /nfs/dbraw/zinc/90/71/05/570907105.db2.gz IVAOPUQKPGKZBW-KRWDZBQOSA-N 1 0 352.478 4.488 40 0 FIABRO Cc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000024706108 570979922 /nfs/dbraw/zinc/97/99/22/570979922.db2.gz BPVDJIKGYCIUKN-UHFFFAOYSA-N 1 0 350.506 4.230 40 0 FIABRO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000224533544 570992393 /nfs/dbraw/zinc/99/23/93/570992393.db2.gz NGTSYWVZLQFDAX-UHFFFAOYSA-N 1 0 372.896 4.337 40 0 FIABRO CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224687730 570997469 /nfs/dbraw/zinc/99/74/69/570997469.db2.gz PGBFAMOOROFYKL-UHFFFAOYSA-N 1 0 352.478 4.001 40 0 FIABRO CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000224933328 571006350 /nfs/dbraw/zinc/00/63/50/571006350.db2.gz JICMJDSKRPXHJL-DYESRHJHSA-N 1 0 368.496 4.478 40 0 FIABRO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039760151 571023192 /nfs/dbraw/zinc/02/31/92/571023192.db2.gz AYIRCZYZBOQDMZ-UHFFFAOYSA-N 1 0 352.478 4.163 40 0 FIABRO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039759933 571023199 /nfs/dbraw/zinc/02/31/99/571023199.db2.gz PWSMTMHSOKGBBK-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039762420 571023475 /nfs/dbraw/zinc/02/34/75/571023475.db2.gz BICPVGPDJDZMDT-UHFFFAOYSA-N 1 0 356.897 4.177 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000225339295 571029330 /nfs/dbraw/zinc/02/93/30/571029330.db2.gz ZFVXROMSRXXXLG-UHFFFAOYSA-N 1 0 364.533 4.345 40 0 FIABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CCCC2)c1 ZINC000225509462 571041705 /nfs/dbraw/zinc/04/17/05/571041705.db2.gz JKZMJPKCFUPZKC-UHFFFAOYSA-N 1 0 366.505 4.386 40 0 FIABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556656 571048139 /nfs/dbraw/zinc/04/81/39/571048139.db2.gz NBOOKVMEVNKSLR-MRXNPFEDSA-N 1 0 372.896 4.020 40 0 FIABRO O=C(CCc1ccccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462717 571057800 /nfs/dbraw/zinc/05/78/00/571057800.db2.gz GKVNVOYHLWCNQT-UHFFFAOYSA-N 1 0 356.897 4.185 40 0 FIABRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462210 571057805 /nfs/dbraw/zinc/05/78/05/571057805.db2.gz WSBHIBDGBDCDTK-MRXNPFEDSA-N 1 0 372.896 4.020 40 0 FIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 ZINC000225727483 571059645 /nfs/dbraw/zinc/05/96/45/571059645.db2.gz OOIKLAGQEALCPD-KBPBESRZSA-N 1 0 373.488 4.360 40 0 FIABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 ZINC000225735815 571060710 /nfs/dbraw/zinc/06/07/10/571060710.db2.gz YBUGYAVYSHTHBT-CYBMUJFWSA-N 1 0 359.461 4.114 40 0 FIABRO S=C(Nc1ccc(Oc2ccccc2)cc1)NC12CC[NH+](CC1)CC2 ZINC000027642716 571063503 /nfs/dbraw/zinc/06/35/03/571063503.db2.gz KQUCAECFCSZLLF-UHFFFAOYSA-N 1 0 353.491 4.004 40 0 FIABRO COc1cccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000225904819 571078776 /nfs/dbraw/zinc/07/87/76/571078776.db2.gz LTIUBTACESINGJ-QGZVFWFLSA-N 1 0 372.896 4.224 40 0 FIABRO COc1ccccc1CN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740483 571081416 /nfs/dbraw/zinc/08/14/16/571081416.db2.gz ITIOUPZYWGTEAL-UHFFFAOYSA-N 1 0 367.537 4.402 40 0 FIABRO COc1ccc(OC)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038834798 571087118 /nfs/dbraw/zinc/08/71/18/571087118.db2.gz QCFHEEDUYHVGIG-INIZCTEOSA-N 1 0 368.477 4.188 40 0 FIABRO COc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000038834171 571087288 /nfs/dbraw/zinc/08/72/88/571087288.db2.gz CIRMMSKDWVYVPM-MRXNPFEDSA-N 1 0 358.869 4.199 40 0 FIABRO [NH2+]=C1N[C@H]([C@H](O)c2ccccc2)[C@@H](c2ccc(Cc3ccccc3)cc2)S1 ZINC000059500961 571091531 /nfs/dbraw/zinc/09/15/31/571091531.db2.gz YERVHPOPRCNVGW-YPAWHYETSA-N 1 0 374.509 4.482 40 0 FIABRO Cc1nc2sccn2c1C[N@H+](CCCn1ccnc1)C[C@@H]1CC=CCC1 ZINC000043277740 571100318 /nfs/dbraw/zinc/10/03/18/571100318.db2.gz MGFONALXWQVBNE-GOSISDBHSA-N 1 0 369.538 4.149 40 0 FIABRO CCSc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873223 571103430 /nfs/dbraw/zinc/10/34/30/571103430.db2.gz BGWNGTJCGFUFDV-UHFFFAOYSA-N 1 0 354.519 4.324 40 0 FIABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044908939 571104397 /nfs/dbraw/zinc/10/43/97/571104397.db2.gz NYVBQIDUXRVCLY-UHFFFAOYSA-N 1 0 366.505 4.180 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000260767657 571122544 /nfs/dbraw/zinc/12/25/44/571122544.db2.gz OFLDMKVEOKGHNJ-GHTZIAJQSA-N 1 0 372.553 4.104 40 0 FIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812511 571123251 /nfs/dbraw/zinc/12/32/51/571123251.db2.gz DOWNRSPLJKBICN-UTKZUKDTSA-N 1 0 362.514 4.084 40 0 FIABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000260828098 571124036 /nfs/dbraw/zinc/12/40/36/571124036.db2.gz KXPXDLPUFPXZEO-LPHOPBHVSA-N 1 0 356.897 4.429 40 0 FIABRO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000180966695 571149705 /nfs/dbraw/zinc/14/97/05/571149705.db2.gz DKCNABNCFACOBG-CVEARBPZSA-N 1 0 365.481 4.086 40 0 FIABRO COc1ccc2c(c1)NC1(CC[NH+](Cc3ccccc3)CC1)c1cccn1-2 ZINC000072341613 571179423 /nfs/dbraw/zinc/17/94/23/571179423.db2.gz ODIAQAJCRITKNJ-UHFFFAOYSA-N 1 0 359.473 4.403 40 0 FIABRO COc1ccccc1Cc1cccc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072348825 571180342 /nfs/dbraw/zinc/18/03/42/571180342.db2.gz NTIAXGMXHNYPDF-UHFFFAOYSA-N 1 0 373.500 4.456 40 0 FIABRO COc1cccc(Cc2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348862 571180575 /nfs/dbraw/zinc/18/05/75/571180575.db2.gz DMPADAJIEMLWRE-NRFANRHFSA-N 1 0 373.500 4.456 40 0 FIABRO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348865 571180643 /nfs/dbraw/zinc/18/06/43/571180643.db2.gz KHSVZKCQHZSGFO-NRFANRHFSA-N 1 0 373.500 4.456 40 0 FIABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072350262 571181772 /nfs/dbraw/zinc/18/17/72/571181772.db2.gz ZAXLACUKGAEPJD-HXUWFJFHSA-N 1 0 372.516 4.489 40 0 FIABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000072376237 571186128 /nfs/dbraw/zinc/18/61/28/571186128.db2.gz BQKCMCWFKXNITL-FQEVSTJZSA-N 1 0 359.477 4.303 40 0 FIABRO Cc1ccc2c(c1)CN(Cc1ccc(F)c(F)c1)CC1(CC[NH+](C)CC1)O2 ZINC000072394185 571190404 /nfs/dbraw/zinc/19/04/04/571190404.db2.gz RCBAILCORSJBOJ-UHFFFAOYSA-N 1 0 372.459 4.132 40 0 FIABRO Cc1csc(-c2nc(NCCC[NH+](C)C)ncc2-c2ccsc2)n1 ZINC000072396930 571190649 /nfs/dbraw/zinc/19/06/49/571190649.db2.gz XSHRRIOANWJNTD-UHFFFAOYSA-N 1 0 359.524 4.001 40 0 FIABRO CC(C)[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cccs1)c1ccccc1O2 ZINC000585105941 571224682 /nfs/dbraw/zinc/22/46/82/571224682.db2.gz MSUFAJVQMBKSKK-KRWDZBQOSA-N 1 0 370.518 4.245 40 0 FIABRO CC[C@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(C)o3)[C@H]2C1 ZINC000585109724 571224935 /nfs/dbraw/zinc/22/49/35/571224935.db2.gz LSPBCQSUEQQENG-CMBBURJTSA-N 1 0 352.478 4.134 40 0 FIABRO CC[NH+](CC)CCC[C@H](C)Nc1cc(OC)c2nc(C)ccc2c1OC ZINC000002028741 571249965 /nfs/dbraw/zinc/24/99/65/571249965.db2.gz BVZKGKZHIUQDIN-HNNXBMFYSA-N 1 0 359.514 4.483 40 0 FIABRO C[C@@H]1CCC[N@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)[C@H]1C ZINC000247883930 571290909 /nfs/dbraw/zinc/29/09/09/571290909.db2.gz SGHMKUYXKPWNIZ-CVEARBPZSA-N 1 0 370.497 4.464 40 0 FIABRO Cc1noc(C)c1C(=O)Nc1ccc(CC[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000012336896 571303421 /nfs/dbraw/zinc/30/34/21/571303421.db2.gz WUCVKGXWHXZAPW-KDOFPFPSSA-N 1 0 355.482 4.064 40 0 FIABRO C[N@H+]1[C@@H]2CC[C@H]1CC(N(CCc1ccccc1)C(=O)c1ccc(F)cc1)C2 ZINC000000756549 219319212 /nfs/dbraw/zinc/31/92/12/219319212.db2.gz PWLIDMDJUDGSGJ-CBQGHPETSA-N 1 0 366.480 4.136 40 0 FIABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224831554 222821269 /nfs/dbraw/zinc/82/12/69/222821269.db2.gz HTWMQSBBNZNNDY-LJQANCHMSA-N 1 0 366.505 4.065 40 0 FIABRO Oc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257223207 223026837 /nfs/dbraw/zinc/02/68/37/223026837.db2.gz DWJBZGVJKDHZQZ-PZJWPPBQSA-N 1 0 365.473 4.287 40 0 FIABRO CCc1c(C)nc2cc(-c3cccs3)nn2c1NCCC[NH+](CC)CC ZINC000004980834 219633544 /nfs/dbraw/zinc/63/35/44/219633544.db2.gz RVIJBCOZZQHURV-UHFFFAOYSA-N 1 0 371.554 4.472 40 0 FIABRO Cc1ccc(CNc2cc(-c3c[nH]nc3[C@H]3CC[N@@H+](C)C3)ccn2)cc1C ZINC000257259056 223041721 /nfs/dbraw/zinc/04/17/21/223041721.db2.gz KWQXNQLLTHTHRB-IBGZPJMESA-N 1 0 361.493 4.120 40 0 FIABRO c1csc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccoc5)C4)nn3c2)c1 ZINC000306137420 223111129 /nfs/dbraw/zinc/11/11/29/223111129.db2.gz QVXAZCFMWMRMMO-KRWDZBQOSA-N 1 0 364.474 4.430 40 0 FIABRO COc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000011557611 219921551 /nfs/dbraw/zinc/92/15/51/219921551.db2.gz RKUNTMMUMZDVCC-UHFFFAOYSA-N 1 0 353.466 4.003 40 0 FIABRO CCOc1ccc(C[NH+]2CCC(c3cc4cccnc4[nH]3)CC2)cc1OC ZINC000012133369 219958249 /nfs/dbraw/zinc/95/82/49/219958249.db2.gz ZURFUTQFMKYCPI-UHFFFAOYSA-N 1 0 365.477 4.350 40 0 FIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccnc3ccccc23)o1 ZINC000013991247 220102016 /nfs/dbraw/zinc/10/20/16/220102016.db2.gz CSIJNHGCSIPBDP-UHFFFAOYSA-N 1 0 360.461 4.425 40 0 FIABRO FC(F)(F)c1cc(N2CCC[NH2+]CC2)c2cc(Cl)cc(Cl)c2n1 ZINC000016158442 220180218 /nfs/dbraw/zinc/18/02/18/220180218.db2.gz KDQNDTPSWCXBQQ-UHFFFAOYSA-N 1 0 364.198 4.360 40 0 FIABRO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CC1 ZINC000016449933 220185339 /nfs/dbraw/zinc/18/53/39/220185339.db2.gz XKCZBHFDKJSGPX-UHFFFAOYSA-N 1 0 350.231 4.419 40 0 FIABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)on1 ZINC000019120777 220237978 /nfs/dbraw/zinc/23/79/78/220237978.db2.gz NMVLZIFDIZHQNH-AWEZNQCLSA-N 1 0 358.442 4.020 40 0 FIABRO COc1ccccc1C1(O)CC[NH+](Cc2c(C)[nH]c3ccc(C)cc32)CC1 ZINC000019220104 220241096 /nfs/dbraw/zinc/24/10/96/220241096.db2.gz CKUKWNINRHFHPT-UHFFFAOYSA-N 1 0 364.489 4.277 40 0 FIABRO COc1ccc(C[NH+]2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1 ZINC000019217842 220241493 /nfs/dbraw/zinc/24/14/93/220241493.db2.gz OSMNSTOZSKUTOJ-UHFFFAOYSA-N 1 0 369.490 4.495 40 0 FIABRO Clc1ccccc1CC[NH+]1CCC(c2nnc(-c3ccncc3)o2)CC1 ZINC000019348688 220251812 /nfs/dbraw/zinc/25/18/12/220251812.db2.gz ZAEKZRCVPRRPBU-UHFFFAOYSA-N 1 0 368.868 4.207 40 0 FIABRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019453240 220257043 /nfs/dbraw/zinc/25/70/43/220257043.db2.gz GLLXPWNXOZROPB-SFHVURJKSA-N 1 0 363.465 4.030 40 0 FIABRO CC(C)c1ncc(CN2CC[C@H](c3ccccc3)[C@H]3[NH2+]CCCC[C@H]32)cn1 ZINC000019454088 220257607 /nfs/dbraw/zinc/25/76/07/220257607.db2.gz KFALZFPMAKTLMD-YPAWHYETSA-N 1 0 364.537 4.100 40 0 FIABRO O=C(Nc1cccc(Cn2cccn2)c1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019659670 220283399 /nfs/dbraw/zinc/28/33/99/220283399.db2.gz SKCLQKSIVCTTOH-QFIPXVFZSA-N 1 0 374.488 4.097 40 0 FIABRO Cc1c(-c2cncn2CCC[NH+]2CCCCC2)c(-c2ccccc2)nn1C ZINC000019719402 220291701 /nfs/dbraw/zinc/29/17/01/220291701.db2.gz RWZCUZVUFJBCDA-UHFFFAOYSA-N 1 0 363.509 4.135 40 0 FIABRO Cc1c(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c2ccc(C)cc2n1C ZINC000019717612 220289652 /nfs/dbraw/zinc/28/96/52/220289652.db2.gz ZKOSHYWYYQUCLB-FQEVSTJZSA-N 1 0 363.505 4.371 40 0 FIABRO CCc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000022407603 220385586 /nfs/dbraw/zinc/38/55/86/220385586.db2.gz LDKHNWVHNNAOGL-NRFANRHFSA-N 1 0 355.889 4.163 40 0 FIABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000022075078 220376400 /nfs/dbraw/zinc/37/64/00/220376400.db2.gz QYURARINJHLONL-OAQYLSRUSA-N 1 0 363.457 4.097 40 0 FIABRO CC(C)[N@@H+]1CCN(CCCCOC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000022795702 220398974 /nfs/dbraw/zinc/39/89/74/220398974.db2.gz FSKGPBHZGYLCBA-INIZCTEOSA-N 1 0 367.921 4.083 40 0 FIABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000040373066 220902194 /nfs/dbraw/zinc/90/21/94/220902194.db2.gz IDMDYWOMAWKGAQ-JTAQYXEDSA-N 1 0 367.533 4.459 40 0 FIABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4Cl)C3)o2)cc1 ZINC000049170090 221020986 /nfs/dbraw/zinc/02/09/86/221020986.db2.gz QQGZIOYGDJIAIE-INIZCTEOSA-N 1 0 369.852 4.388 40 0 biogenic,in-vitro FIABRO COc1cccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3cnn(C)c3)cn2)c1 ZINC000257304940 533371503 /nfs/dbraw/zinc/37/15/03/533371503.db2.gz SNTSABLUZUPFEN-QFIPXVFZSA-N 1 0 362.477 4.218 40 0 FIABRO Cc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329029199 132372815 /nfs/dbraw/zinc/37/28/15/132372815.db2.gz PYDDQOQCEOWGGE-INIZCTEOSA-N 1 0 366.509 4.146 40 0 FIABRO O=C1N(c2ccccc2)c2ccccc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000096052470 222003353 /nfs/dbraw/zinc/00/33/53/222003353.db2.gz PULWRPYWVGRUQW-UHFFFAOYSA-N 1 0 369.468 4.294 40 0 FIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096053068 222003714 /nfs/dbraw/zinc/00/37/14/222003714.db2.gz UOCZJOIBIRFCDS-IBGZPJMESA-N 1 0 354.538 4.176 40 0 FIABRO Fc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccc3)CO2)C1 ZINC000096073567 222012665 /nfs/dbraw/zinc/01/26/65/222012665.db2.gz CTDOCRYLOQQYHN-RBBKRZOGSA-N 1 0 355.453 4.166 40 0 FIABRO CC(C)n1cnc2c1cc(C1CC[NH+](CC3CC3)CC1)nc2N1CCCC1 ZINC000096155631 222057166 /nfs/dbraw/zinc/05/71/66/222057166.db2.gz QGFVFDWJDPGILG-UHFFFAOYSA-N 1 0 367.541 4.202 40 0 FIABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000100750253 222251694 /nfs/dbraw/zinc/25/16/94/222251694.db2.gz CXXNKXDSYMRXMQ-MRUHUIDDSA-N 1 0 363.461 4.064 40 0 FIABRO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc([C@H](C)O)cc3)o2)cc1 ZINC000007541077 263351923 /nfs/dbraw/zinc/35/19/23/263351923.db2.gz MJHXDBYSRAUFNN-INIZCTEOSA-N 1 0 351.446 4.341 40 0 FIABRO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(OC)c1 ZINC000020452779 263380705 /nfs/dbraw/zinc/38/07/05/263380705.db2.gz YRLPDTPICVRUGY-INIZCTEOSA-N 1 0 368.477 4.188 40 0 FIABRO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccs4)C2)OC3)cc1 ZINC000306130795 534196335 /nfs/dbraw/zinc/19/63/35/534196335.db2.gz JPRHDBHXYVCDAO-OAQYLSRUSA-N 1 0 365.502 4.095 40 0 FIABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020105868 522875513 /nfs/dbraw/zinc/87/55/13/522875513.db2.gz UHWODROUNVNPJC-QFIPXVFZSA-N 1 0 368.521 4.380 40 0 FIABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216210156 568112682 /nfs/dbraw/zinc/11/26/82/568112682.db2.gz ZOILVCBJEPMWFW-FPOVZHCZSA-N 1 0 360.542 4.232 40 0 FIABRO COc1ccc([C@@H]2CC(N)=[NH+]N2c2ccc(Cl)cc2Cl)cc1OC ZINC000222549241 568538341 /nfs/dbraw/zinc/53/83/41/568538341.db2.gz NPMTYLWAHHIOCD-AWEZNQCLSA-N 1 0 366.248 4.234 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CCN(Cc4nccs4)CC3)CC2)s1 ZINC000096047216 570472902 /nfs/dbraw/zinc/47/29/02/570472902.db2.gz WDUAVXQZIXNGNR-UHFFFAOYSA-N 1 0 361.580 4.391 40 0 FIABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000585270567 570484900 /nfs/dbraw/zinc/48/49/00/570484900.db2.gz MMKRAYXLKFCCJH-QHCPKHFHSA-N 1 0 364.489 4.272 40 0 FIABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCc3ccc(Cl)cc3)[C@H]2O)c1 ZINC000585289554 570495511 /nfs/dbraw/zinc/49/55/11/570495511.db2.gz RNYRAXHBMRMSFW-PWRODBHTSA-N 1 0 359.897 4.142 40 0 FIABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@H]1O ZINC000585290387 570495950 /nfs/dbraw/zinc/49/59/50/570495950.db2.gz VTFOOIZJIPOILJ-CEWLAPEOSA-N 1 0 359.897 4.142 40 0 FIABRO O=c1c(-c2ccccc2)nc2ccccc2n1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000001612206 570503144 /nfs/dbraw/zinc/50/31/44/570503144.db2.gz GOPUAIKZERGFBM-PZJWPPBQSA-N 1 0 373.500 4.328 40 0 FIABRO CSc1ccccc1C(=O)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613643 570582147 /nfs/dbraw/zinc/58/21/47/570582147.db2.gz ZFICBHOJQOTCJU-IBGZPJMESA-N 1 0 366.530 4.071 40 0 FIABRO Cc1ccc(CNc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1 ZINC000240793378 570608863 /nfs/dbraw/zinc/60/88/63/570608863.db2.gz AYYRSRSRSHXPQJ-UHFFFAOYSA-N 1 0 361.493 4.038 40 0 FIABRO Cc1cccc(C)c1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000243430481 570609867 /nfs/dbraw/zinc/60/98/67/570609867.db2.gz MYXHICSCWMRMHE-UHFFFAOYSA-N 1 0 361.493 4.478 40 0 FIABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC000257233404 570626859 /nfs/dbraw/zinc/62/68/59/570626859.db2.gz GPDJDUBCEPAIDK-QFIPXVFZSA-N 1 0 355.478 4.151 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C ZINC000260449463 570627348 /nfs/dbraw/zinc/62/73/48/570627348.db2.gz YAWARCUBOVDMAF-VQTJNVASSA-N 1 0 360.542 4.150 40 0 FIABRO CCc1c(C)nc2cc(-c3cccs3)nn2c1NCC[NH+](CC)CC ZINC000004980828 570676225 /nfs/dbraw/zinc/67/62/25/570676225.db2.gz NRONCQDFHBSDMM-UHFFFAOYSA-N 1 0 357.527 4.082 40 0 FIABRO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCc1ccc(Cl)cc1 ZINC000008337084 570680281 /nfs/dbraw/zinc/68/02/81/570680281.db2.gz HJRYDMAFUMZQJL-GOSISDBHSA-N 1 0 363.885 4.178 40 0 FIABRO Cc1nc[nH]c1CN(Cc1ccccc1F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116738 570719766 /nfs/dbraw/zinc/71/97/66/570719766.db2.gz JUODQOFBLTYNFL-UHFFFAOYSA-N 1 0 358.505 4.169 40 0 FIABRO COc1c(C)cccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012293186 570732624 /nfs/dbraw/zinc/73/26/24/570732624.db2.gz DVKPEFRURJKSAO-VSOVRNOCSA-N 1 0 355.453 4.157 40 0 FIABRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)c(C)cc1OC ZINC000012366546 570739227 /nfs/dbraw/zinc/73/92/27/570739227.db2.gz JKHMCFJRWOYZSX-QFBILLFUSA-N 1 0 358.482 4.200 40 0 FIABRO Cc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000013676301 570784198 /nfs/dbraw/zinc/78/41/98/570784198.db2.gz PMLXEUQSAHQXSI-UHFFFAOYSA-N 1 0 350.506 4.344 40 0 FIABRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008497291 570795424 /nfs/dbraw/zinc/79/54/24/570795424.db2.gz KCNQAGHWWSNYLQ-HIGJEIRPSA-N 1 0 359.510 4.407 40 0 FIABRO Cc1cccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000017073078 570868983 /nfs/dbraw/zinc/86/89/83/570868983.db2.gz ZRYVFLYLSZNWNC-UHFFFAOYSA-N 1 0 352.478 4.307 40 0 FIABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2ccc3nccnc3c2)nc1 ZINC000019215528 570881854 /nfs/dbraw/zinc/88/18/54/570881854.db2.gz SPTOQUVFAHWZPY-NRFANRHFSA-N 1 0 360.486 4.468 40 0 FIABRO CC[NH+](CC)CCN[C@@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000022871014 570951840 /nfs/dbraw/zinc/95/18/40/570951840.db2.gz PBTMTVRHVNGMHO-AWEZNQCLSA-N 1 0 353.721 4.038 40 0 FIABRO Cc1ccc(SCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024389495 570975376 /nfs/dbraw/zinc/97/53/76/570975376.db2.gz JKXCGLALICJASE-UHFFFAOYSA-N 1 0 368.546 4.389 40 0 FIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C1 ZINC000224333578 570985331 /nfs/dbraw/zinc/98/53/31/570985331.db2.gz VVTZWFAMYQXDDB-KRWDZBQOSA-N 1 0 354.469 4.030 40 0 FIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000224977645 571008382 /nfs/dbraw/zinc/00/83/82/571008382.db2.gz CUOJYPZDGLTVDO-BGYRXZFFSA-N 1 0 364.533 4.380 40 0 FIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000224989234 571009411 /nfs/dbraw/zinc/00/94/11/571009411.db2.gz VOQYVBICIBSCEH-QGZVFWFLSA-N 1 0 366.933 4.268 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)cc1 ZINC000039766637 571023556 /nfs/dbraw/zinc/02/35/56/571023556.db2.gz JYVFOKCCJXKXBB-UHFFFAOYSA-N 1 0 368.496 4.095 40 0 FIABRO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039755465 571025021 /nfs/dbraw/zinc/02/50/21/571025021.db2.gz JDSFSCPAXAJHCS-UHFFFAOYSA-N 1 0 352.478 4.325 40 0 FIABRO C[C@H]1CCC[N@H+](CCCNC(=O)CCc2c(Cl)cccc2Cl)C1 ZINC000225362080 571030835 /nfs/dbraw/zinc/03/08/35/571030835.db2.gz KNDSQMMMLNPCJE-AWEZNQCLSA-N 1 0 357.325 4.164 40 0 FIABRO C[C@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000225379020 571032009 /nfs/dbraw/zinc/03/20/09/571032009.db2.gz HNFZVJVFWIAIJO-AWEZNQCLSA-N 1 0 357.325 4.164 40 0 FIABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000225436337 571035356 /nfs/dbraw/zinc/03/53/56/571035356.db2.gz RPRRUYQKLPMOHZ-UHFFFAOYSA-N 1 0 359.461 4.114 40 0 FIABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225519827 571042671 /nfs/dbraw/zinc/04/26/71/571042671.db2.gz FNGKKPCDAZWUSQ-UHFFFAOYSA-N 1 0 370.468 4.217 40 0 FIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCc3ccccc3)cc2)C1 ZINC000030851866 571050808 /nfs/dbraw/zinc/05/08/08/571050808.db2.gz CRORYQMWDUJTGR-IBGZPJMESA-N 1 0 350.506 4.281 40 0 FIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225693228 571056230 /nfs/dbraw/zinc/05/62/30/571056230.db2.gz YYFZWIUYGHGWEY-OAQYLSRUSA-N 1 0 362.514 4.085 40 0 FIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225693188 571056270 /nfs/dbraw/zinc/05/62/70/571056270.db2.gz XBFHFBZINLYXPF-NRFANRHFSA-N 1 0 364.530 4.331 40 0 FIABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225706775 571057749 /nfs/dbraw/zinc/05/77/49/571057749.db2.gz JTDVTPKAIMVXIK-SFHVURJKSA-N 1 0 374.525 4.228 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)NC(C)(C)Cc3ccccc3)CC2)c1 ZINC000225859665 571075263 /nfs/dbraw/zinc/07/52/63/571075263.db2.gz TZOOEOBFEZTIKG-UHFFFAOYSA-N 1 0 364.533 4.345 40 0 FIABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000038850211 571087778 /nfs/dbraw/zinc/08/77/78/571087778.db2.gz VCGJEOIBQGFXBL-MRXNPFEDSA-N 1 0 358.869 4.199 40 0 FIABRO COc1cccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)c1 ZINC000043277826 571100000 /nfs/dbraw/zinc/10/00/00/571100000.db2.gz LPLKKSCDWXIDIA-UHFFFAOYSA-N 1 0 353.441 4.123 40 0 FIABRO Cc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc2c(c1)CCO2 ZINC000043277696 571100240 /nfs/dbraw/zinc/10/02/40/571100240.db2.gz QOGZAGJHEPVOAS-UHFFFAOYSA-N 1 0 361.489 4.219 40 0 FIABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000044850189 571103074 /nfs/dbraw/zinc/10/30/74/571103074.db2.gz FYWHOSCICHXZPT-NRFANRHFSA-N 1 0 368.521 4.235 40 0 FIABRO Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875265 571103455 /nfs/dbraw/zinc/10/34/55/571103455.db2.gz NDBKUMZCBRQIGK-LJQANCHMSA-N 1 0 366.505 4.065 40 0 FIABRO Cc1ccccc1CSCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857206 571103502 /nfs/dbraw/zinc/10/35/02/571103502.db2.gz ZDYIRACOGPRCAR-UHFFFAOYSA-N 1 0 368.546 4.140 40 0 FIABRO Cc1cccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044909689 571104421 /nfs/dbraw/zinc/10/44/21/571104421.db2.gz QPOULKAHGSAYMM-NRFANRHFSA-N 1 0 368.496 4.095 40 0 FIABRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933430 571104766 /nfs/dbraw/zinc/10/47/66/571104766.db2.gz ILTYFJLVWKILFS-YLJYHZDGSA-N 1 0 354.469 4.224 40 0 FIABRO CCc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000260841104 571124332 /nfs/dbraw/zinc/12/43/32/571124332.db2.gz JICMJDSKRPXHJL-UWJYYQICSA-N 1 0 368.496 4.478 40 0 FIABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072345887 571179665 /nfs/dbraw/zinc/17/96/65/571179665.db2.gz CBEJFFSYBMPZGS-GOSISDBHSA-N 1 0 362.452 4.245 40 0 FIABRO CCn1c2ccccc2c2cc(C[N@@H+]3CCc4c(nc(C)[nH]c4=O)C3)ccc21 ZINC000072347440 571180030 /nfs/dbraw/zinc/18/00/30/571180030.db2.gz DDMYPNSTQFTRCH-UHFFFAOYSA-N 1 0 372.472 4.177 40 0 FIABRO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349999 571181350 /nfs/dbraw/zinc/18/13/50/571181350.db2.gz YNGXOIJDJMRCFH-MRXNPFEDSA-N 1 0 350.441 4.001 40 0 FIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4Cl)C3)n2)c1 ZINC000072369858 571185155 /nfs/dbraw/zinc/18/51/55/571185155.db2.gz RPYPAXCHZUKATK-INIZCTEOSA-N 1 0 369.852 4.388 40 0 FIABRO CCc1nnc(Nc2cccc([C@@H]3CCC[N@H+](CC(C)(C)C)C3)n2)s1 ZINC000072375969 571185805 /nfs/dbraw/zinc/18/58/05/571185805.db2.gz KIZFQBRCJIJIHK-CQSZACIVSA-N 1 0 359.543 4.465 40 0 FIABRO Cc1ccc(C(=O)N2CCC[C@]3(CCC[N@@H+]3Cc3ccc(F)cc3)CC2)o1 ZINC000585100413 571221404 /nfs/dbraw/zinc/22/14/04/571221404.db2.gz RMVUSEMSJPKBAI-QFIPXVFZSA-N 1 0 370.468 4.388 40 0 FIABRO c1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)cc1 ZINC000585105466 571223768 /nfs/dbraw/zinc/22/37/68/571223768.db2.gz XAXFBJOCCQWHRB-QFIPXVFZSA-N 1 0 366.505 4.060 40 0 FIABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000585109701 571225163 /nfs/dbraw/zinc/22/51/63/571225163.db2.gz JBFNXRYIVFRKCF-QNWVGRARSA-N 1 0 372.468 4.288 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSC2CCCCC2)CC1 ZINC000009062917 571302366 /nfs/dbraw/zinc/30/23/66/571302366.db2.gz PMBHMCOIZCSMJJ-UHFFFAOYSA-N 1 0 374.594 4.389 40 0 FIABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000009063183 571302519 /nfs/dbraw/zinc/30/25/19/571302519.db2.gz NCCLKYCPUCVOJE-FQEVSTJZSA-N 1 0 364.533 4.345 40 0 FIABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000028220911 571305294 /nfs/dbraw/zinc/30/52/94/571305294.db2.gz HLSOLTMMQBGQND-APWZRJJASA-N 1 0 356.897 4.429 40 0 FIABRO Cc1cc(-c2noc(C3CC[NH2+]CC3)n2)cc(C)c1OCc1ccccc1 ZINC000095095376 571328613 /nfs/dbraw/zinc/32/86/13/571328613.db2.gz HHFNJWJIFQYYGD-UHFFFAOYSA-N 1 0 363.461 4.399 40 0 FIABRO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062855 1088868342 /nfs/dbraw/zinc/86/83/42/1088868342.db2.gz BTSSTDRUTRLEIP-IBGZPJMESA-N 1 0 350.506 4.036 40 0 FIABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000257233103 529954638 /nfs/dbraw/zinc/95/46/38/529954638.db2.gz GNVGZLNJGSOSCE-QGZVFWFLSA-N 1 0 364.514 4.293 40 0 FIABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCC1 ZINC000225626520 222856204 /nfs/dbraw/zinc/85/62/04/222856204.db2.gz BMKGXLUUUTYHJR-UHFFFAOYSA-N 1 0 374.525 4.229 40 0 FIABRO COC1CC[NH+](CCCn2c3ccccc3c3ccc(C(C)=O)cc32)CC1 ZINC000001688515 219415446 /nfs/dbraw/zinc/41/54/46/219415446.db2.gz HICCLVSOFFSGPO-UHFFFAOYSA-N 1 0 364.489 4.498 40 0 FIABRO CN(Cc1ccccc1)C(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257344037 223073186 /nfs/dbraw/zinc/07/31/86/223073186.db2.gz ZVMREPIBDRYRBA-UHFFFAOYSA-N 1 0 359.473 4.082 40 0 FIABRO Clc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328981729 223126829 /nfs/dbraw/zinc/12/68/29/223126829.db2.gz GVPNWSPGMYMMPJ-UHFFFAOYSA-N 1 0 356.901 4.208 40 0 FIABRO CC[NH+](CC)CCNc1ncc(-c2ccsc2)c(-c2nccs2)n1 ZINC000012274909 219974758 /nfs/dbraw/zinc/97/47/58/219974758.db2.gz JCQWQJJNMZMRRT-UHFFFAOYSA-N 1 0 359.524 4.082 40 0 FIABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](CCc4ccccc4)C3)cc2n1 ZINC000013225694 220061002 /nfs/dbraw/zinc/06/10/02/220061002.db2.gz ZKZQZOZGAXPXJH-MRXNPFEDSA-N 1 0 374.410 4.089 40 0 FIABRO CCOc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013673726 220083459 /nfs/dbraw/zinc/08/34/59/220083459.db2.gz DDRVMDLRCYTWFJ-UHFFFAOYSA-N 1 0 366.505 4.044 40 0 FIABRO COc1ccc(C[N@@H+](Cc2sccc2C)C[C@@H]2CCCO2)cc1OC ZINC000013994154 220102002 /nfs/dbraw/zinc/10/20/02/220102002.db2.gz DIYXKNBRKIOHSS-KRWDZBQOSA-N 1 0 361.507 4.255 40 0 FIABRO Cc1c2cc(C)ccc2oc1CN(CCC[NH+](C)C)Cc1ccccn1 ZINC000013990795 220102096 /nfs/dbraw/zinc/10/20/96/220102096.db2.gz JKCACRHSCDCHQJ-UHFFFAOYSA-N 1 0 351.494 4.399 40 0 FIABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(-c3ccc(C)s3)o2)C1 ZINC000019217636 220241197 /nfs/dbraw/zinc/24/11/97/220241197.db2.gz CWHGKWVUWDWXEV-MRXNPFEDSA-N 1 0 369.490 4.495 40 0 FIABRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CC4)on3)C2)cc1 ZINC000019453216 220257028 /nfs/dbraw/zinc/25/70/28/220257028.db2.gz NAEWUFCCPMNJIB-SFHVURJKSA-N 1 0 367.493 4.070 40 0 FIABRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1)O[C@H](C)C2 ZINC000019532557 220268739 /nfs/dbraw/zinc/26/87/39/220268739.db2.gz FREIJDIUYBPUAJ-GQIGUUNPSA-N 1 0 370.493 4.206 40 0 FIABRO CCCc1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccc(OC)cc2)cn1 ZINC000019525780 220267964 /nfs/dbraw/zinc/26/79/64/220267964.db2.gz OAEHIPJFFLNJFH-SEIRJHJZSA-N 1 0 351.494 4.110 40 0 FIABRO COc1ccc(C[NH+]2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000019555052 220271862 /nfs/dbraw/zinc/27/18/62/220271862.db2.gz ODHAEHSXQDKLDC-UHFFFAOYSA-N 1 0 355.463 4.186 40 0 FIABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)C1CCCCC1)Cc1ccccc1O2 ZINC000019583976 220275796 /nfs/dbraw/zinc/27/57/96/220275796.db2.gz YNQOZXGMGXATOZ-UHFFFAOYSA-N 1 0 370.537 4.231 40 0 FIABRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)Cc2ccc3[nH]cnc3c2)c1 ZINC000019662479 220284160 /nfs/dbraw/zinc/28/41/60/220284160.db2.gz RNJRIKYFABYWOX-MRXNPFEDSA-N 1 0 362.477 4.119 40 0 FIABRO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCC[N@@H+]2CC2CC2)cc1 ZINC000019694470 220286602 /nfs/dbraw/zinc/28/66/02/220286602.db2.gz KZEMFLYGZIFXGB-HXUWFJFHSA-N 1 0 366.509 4.155 40 0 FIABRO Cc1ccc(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408139 220385713 /nfs/dbraw/zinc/38/57/13/220385713.db2.gz HFMJAMHFGNMYMG-NRFANRHFSA-N 1 0 355.889 4.299 40 0 FIABRO CCOc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000022522429 220390191 /nfs/dbraw/zinc/39/01/91/220390191.db2.gz KNGBRSLKGNRRBW-UHFFFAOYSA-N 1 0 366.505 4.247 40 0 FIABRO C[C@H]([NH2+]CCN(C)C)[C@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000022586829 220391709 /nfs/dbraw/zinc/39/17/09/220391709.db2.gz OQLPSYJNZRYLOQ-XFAMDWPHSA-N 1 0 370.581 4.404 40 0 in-vitro FIABRO CC(=O)OC[C@@H](O)[C@H](CC(C)C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026896801 220523957 /nfs/dbraw/zinc/52/39/57/220523957.db2.gz LWTGIEFUTRCWQS-XZOQPEGZSA-N 1 0 369.505 4.028 40 0 FIABRO CCc1ccc(-[n+]2cc(-c3ccc(OC)cc3)n3c2SCCC3)cc1 ZINC000027788708 220546141 /nfs/dbraw/zinc/54/61/41/220546141.db2.gz SUONRPKAQYAESI-UHFFFAOYSA-N 1 0 351.495 4.499 40 0 FIABRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCc2ccccc2C1 ZINC000038835859 220857514 /nfs/dbraw/zinc/85/75/14/220857514.db2.gz JZGPOQCJYSGGSE-FQEVSTJZSA-N 1 0 368.908 4.137 40 0 FIABRO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3c[nH]c4ccccc34)n2)nc1 ZINC000049155379 221018993 /nfs/dbraw/zinc/01/89/93/221018993.db2.gz AZFQTBIICOVHTM-SFHVURJKSA-N 1 0 363.396 4.089 40 0 biogenic,in-vitro FIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC(C)C)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171544 221020436 /nfs/dbraw/zinc/02/04/36/221020436.db2.gz KRZJWUOZZYCKMM-PMACEKPBSA-N 1 0 367.537 4.177 40 0 biogenic,in-vitro FIABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)o1 ZINC000049170007 221020569 /nfs/dbraw/zinc/02/05/69/221020569.db2.gz KQOLVEIFLNXIOC-AWEZNQCLSA-N 1 0 371.387 4.013 40 0 biogenic,in-vitro FIABRO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057155807 221084498 /nfs/dbraw/zinc/08/44/98/221084498.db2.gz BXTVVQOLFULECR-UHFFFAOYSA-N 1 0 358.485 4.368 40 0 FIABRO Cc1ccccc1C[NH+]1CCC(c2ccc(Nc3cnccn3)cn2)CC1 ZINC000072374212 221485451 /nfs/dbraw/zinc/48/54/51/221485451.db2.gz YISAEZCKWDGURJ-UHFFFAOYSA-N 1 0 359.477 4.303 40 0 FIABRO Clc1nc2ccccc2c(N2CCOCC2)c1C[NH2+]C1CCCCC1 ZINC000005017395 132256175 /nfs/dbraw/zinc/25/61/75/132256175.db2.gz JUWXICCRFGPBNG-UHFFFAOYSA-N 1 0 359.901 4.147 40 0 FIABRO Cc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000328960937 132371866 /nfs/dbraw/zinc/37/18/66/132371866.db2.gz AZQQSBIJGNOVMA-INIZCTEOSA-N 1 0 374.488 4.013 40 0 FIABRO CC(C)c1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CCCC2)[nH+]1 ZINC000329032249 132372860 /nfs/dbraw/zinc/37/28/60/132372860.db2.gz QNVBZDFMEHMHEN-INIZCTEOSA-N 1 0 350.510 4.328 40 0 FIABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)o1 ZINC000096100268 222023197 /nfs/dbraw/zinc/02/31/97/222023197.db2.gz IEMXRDLWGYGIGF-NRFANRHFSA-N 1 0 364.489 4.164 40 0 FIABRO Cc1noc(C)c1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 ZINC000096110286 222027627 /nfs/dbraw/zinc/02/76/27/222027627.db2.gz MJUBNLIENVDITI-RBBKRZOGSA-N 1 0 354.494 4.151 40 0 FIABRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 ZINC000096057053 222006024 /nfs/dbraw/zinc/00/60/24/222006024.db2.gz IUKBSJKDVDQOSG-DHIUTWEWSA-N 1 0 373.537 4.273 40 0 FIABRO O=C(Nc1ccccc1)N1CC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)C1 ZINC000096071092 222012798 /nfs/dbraw/zinc/01/27/98/222012798.db2.gz MZGIYTXTUGIWDE-OAQYLSRUSA-N 1 0 353.441 4.098 40 0 FIABRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](Cc1cccs1)CC2 ZINC000096100260 222022172 /nfs/dbraw/zinc/02/21/72/222022172.db2.gz NJZACTVQUDBXFM-HXUWFJFHSA-N 1 0 366.530 4.324 40 0 FIABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccoc3)CC1)nc2-c1cccnc1 ZINC000096099942 222022833 /nfs/dbraw/zinc/02/28/33/222022833.db2.gz QUHZHJSKAGBQNK-UHFFFAOYSA-N 1 0 373.460 4.003 40 0 FIABRO c1c2ccccc2oc1-c1nnc2sc(CC[NH+]3CCCCCC3)nn21 ZINC000096194083 222071201 /nfs/dbraw/zinc/07/12/01/222071201.db2.gz JFYOPBVPTPEPAJ-UHFFFAOYSA-N 1 0 367.478 4.018 40 0 FIABRO COc1cccc(N[C@H]2COC3(C2)CC[NH+](Cc2ccc(C)s2)CC3)c1 ZINC000096221398 222084983 /nfs/dbraw/zinc/08/49/83/222084983.db2.gz CYKACSFSFLTNRA-GOSISDBHSA-N 1 0 372.534 4.301 40 0 FIABRO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096625887 222126597 /nfs/dbraw/zinc/12/65/97/222126597.db2.gz WUYKZMXNRLJHPF-UHFFFAOYSA-N 1 0 374.887 4.050 40 0 FIABRO Cc1ccc(SCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010339190 263365215 /nfs/dbraw/zinc/36/52/15/263365215.db2.gz BGXQHKNZIXMHRW-UHFFFAOYSA-N 1 0 354.519 4.113 40 0 FIABRO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000020451090 263380352 /nfs/dbraw/zinc/38/03/52/263380352.db2.gz PBJNIMUUSAPMHT-INIZCTEOSA-N 1 0 368.477 4.188 40 0 FIABRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1 ZINC000022076826 263385059 /nfs/dbraw/zinc/38/50/59/263385059.db2.gz HVUSISRRSDALNM-UHFFFAOYSA-N 1 0 353.393 4.205 40 0 FIABRO CC(C)(C)OC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257240034 526428680 /nfs/dbraw/zinc/42/86/80/526428680.db2.gz HRTQMIOSEIOQRQ-XTCYKFNRSA-N 1 0 356.510 4.138 40 0 FIABRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3c2)nc1 ZINC000257257215 526813522 /nfs/dbraw/zinc/81/35/22/526813522.db2.gz KOOUVSDVHFMMER-QHCPKHFHSA-N 1 0 359.473 4.208 40 0 FIABRO CC(C)[NH+]1CCC(c2ccnc(N3CC4(CCCCC4)OC3=O)c2)CC1 ZINC000257216013 529005196 /nfs/dbraw/zinc/00/51/96/529005196.db2.gz CSRSAGUKPUEPJB-UHFFFAOYSA-N 1 0 357.498 4.329 40 0 FIABRO C[NH+]1CCN(c2ccc(NC(=O)CCc3cccc4ccccc43)cc2)CC1 ZINC000222680993 536422012 /nfs/dbraw/zinc/42/20/12/536422012.db2.gz HNGKPJRMEKSADV-UHFFFAOYSA-N 1 0 373.500 4.163 40 0 FIABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000216188758 568110902 /nfs/dbraw/zinc/11/09/02/568110902.db2.gz BCWBJXZIKLIVCW-QZTJIDSGSA-N 1 0 366.505 4.418 40 0 FIABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)o1 ZINC000096038246 570472527 /nfs/dbraw/zinc/47/25/27/570472527.db2.gz ZXACDNUMLMKJSN-UHFFFAOYSA-N 1 0 373.460 4.072 40 0 FIABRO c1ccc(-c2ccc3nc(C4CC[NH+](Cc5ccccn5)CC4)nn3c2)cc1 ZINC000096038177 570472747 /nfs/dbraw/zinc/47/27/47/570472747.db2.gz AXSQYGUSCKEMTO-UHFFFAOYSA-N 1 0 369.472 4.171 40 0 FIABRO CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2Cl)[C@H](Cc2ccccc2)C1 ZINC000585284369 570492503 /nfs/dbraw/zinc/49/25/03/570492503.db2.gz FBQPQHMVJQFSDX-KNQAVFIVSA-N 1 0 370.924 4.218 40 0 FIABRO C[N@H+](CCc1ccccc1)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585289569 570495559 /nfs/dbraw/zinc/49/55/59/570495559.db2.gz KEDYESRCQRSRLQ-PWRODBHTSA-N 1 0 359.897 4.175 40 0 FIABRO CCC[C@H](C[NH+]1CCCCC1)[C@H](OC(=O)c1ccc(N)cc1)C(F)(F)F ZINC000004707338 570602259 /nfs/dbraw/zinc/60/22/59/570602259.db2.gz RURYPWLSKRBBFD-WBVHZDCISA-N 1 0 372.431 4.259 40 0 FIABRO C[NH+](C)CCCNc1nc(Nc2ccccc2F)cc(-c2ccccc2)n1 ZINC000240706579 570608975 /nfs/dbraw/zinc/60/89/75/570608975.db2.gz ALLFDLZXOOZPMX-UHFFFAOYSA-N 1 0 365.456 4.390 40 0 FIABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)n1 ZINC000243162160 570609665 /nfs/dbraw/zinc/60/96/65/570609665.db2.gz JPYYSMGMWAAVHG-UHFFFAOYSA-N 1 0 365.456 4.390 40 0 FIABRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)s1 ZINC000329183230 570610845 /nfs/dbraw/zinc/61/08/45/570610845.db2.gz OUVURLREYQKRMX-OAHLLOKOSA-N 1 0 372.469 4.329 40 0 FIABRO C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)C[NH+]1CCCCC1 ZINC000004900321 570612789 /nfs/dbraw/zinc/61/27/89/570612789.db2.gz YNUQPGKCYNHIBB-BAHGYDIPSA-N 1 0 369.549 4.465 40 0 FIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1)c1ccncc1 ZINC000035290506 570636170 /nfs/dbraw/zinc/63/61/70/570636170.db2.gz GOQNWFXKHVRZEX-IHWFROFDSA-N 1 0 369.896 4.051 40 0 FIABRO Cc1ccc(NC(=O)N2CC[NH+](CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000006922918 570656963 /nfs/dbraw/zinc/65/69/63/570656963.db2.gz HOFHJTHCMJEAOG-UHFFFAOYSA-N 1 0 367.537 4.361 40 0 FIABRO CCCCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 ZINC000007261026 570662003 /nfs/dbraw/zinc/66/20/03/570662003.db2.gz QPCPGWLREBBTJK-UHFFFAOYSA-N 1 0 364.530 4.049 40 0 FIABRO Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1CC(=O)NC1CCCC1 ZINC000004932944 570674218 /nfs/dbraw/zinc/67/42/18/570674218.db2.gz WTQAKDUCRLCUAV-UHFFFAOYSA-O 1 0 374.508 4.003 40 0 FIABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111097 570698080 /nfs/dbraw/zinc/69/80/80/570698080.db2.gz ABRIZANCYAGAMW-OAHLLOKOSA-N 1 0 354.947 4.203 40 0 FIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000012219344 570728010 /nfs/dbraw/zinc/72/80/10/570728010.db2.gz YGYPCGVIEOHFHL-FBMGVBCBSA-N 1 0 366.480 4.356 40 0 FIABRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCCOC)c(OC)c1 ZINC000012241234 570730791 /nfs/dbraw/zinc/73/07/91/570730791.db2.gz PZTFYUFOKPUDDS-QGZVFWFLSA-N 1 0 361.507 4.291 40 0 FIABRO COc1ccccc1/C=C/C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012293103 570732761 /nfs/dbraw/zinc/73/27/61/570732761.db2.gz VKKLZTLWEHZEPN-OHNJSALPSA-N 1 0 367.464 4.362 40 0 FIABRO Fc1ccc(-c2cnc(-c3ccncc3)c(C[NH2+][C@H]3CCCOC3)c2)cc1 ZINC000012337335 570737764 /nfs/dbraw/zinc/73/77/64/570737764.db2.gz GKQMUSIJAYQJBR-NRFANRHFSA-N 1 0 363.436 4.218 40 0 FIABRO CCOc1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c(C)cc1OC ZINC000012344617 570738206 /nfs/dbraw/zinc/73/82/06/570738206.db2.gz PRZACWPVICKMCR-UHFFFAOYSA-N 1 0 369.505 4.194 40 0 FIABRO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063099 570797117 /nfs/dbraw/zinc/79/71/17/570797117.db2.gz HMPXRVKEWKBYEQ-UHFFFAOYSA-N 1 0 352.478 4.244 40 0 FIABRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062776 570797261 /nfs/dbraw/zinc/79/72/61/570797261.db2.gz KLPRYRYZXQCDOY-UHFFFAOYSA-N 1 0 373.294 4.300 40 0 FIABRO CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000009062741 570797367 /nfs/dbraw/zinc/79/73/67/570797367.db2.gz QBPPLAHWZLHZNY-UHFFFAOYSA-N 1 0 356.441 4.075 40 0 FIABRO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063406 570797583 /nfs/dbraw/zinc/79/75/83/570797583.db2.gz NGLILXHDIPDSBC-UHFFFAOYSA-N 1 0 364.823 4.469 40 0 FIABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(C)(C)C)CC3)ccc21 ZINC000019498879 570890748 /nfs/dbraw/zinc/89/07/48/570890748.db2.gz GZXCGAZOPVDIBN-NRFANRHFSA-N 1 0 372.553 4.167 40 0 FIABRO CCCc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224095201 570977085 /nfs/dbraw/zinc/97/70/85/570977085.db2.gz HFLHBVGQMQMJGI-UHFFFAOYSA-N 1 0 366.505 4.044 40 0 FIABRO Cc1ccc(C)c(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224681133 570996985 /nfs/dbraw/zinc/99/69/85/570996985.db2.gz DSTKKZCDXGSISL-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSC3CCCC3)cc2)CC1 ZINC000225050160 571011512 /nfs/dbraw/zinc/01/15/12/571011512.db2.gz JCQUYSQCJQIHSW-UHFFFAOYSA-N 1 0 360.567 4.324 40 0 FIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225611740 571049569 /nfs/dbraw/zinc/04/95/69/571049569.db2.gz BPZQTGVORGXKEH-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225635172 571051532 /nfs/dbraw/zinc/05/15/32/571051532.db2.gz QLUUQENQDOSFIU-AVRDEDQJSA-N 1 0 374.525 4.085 40 0 FIABRO CO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225644722 571052367 /nfs/dbraw/zinc/05/23/67/571052367.db2.gz NAFNKNUMIBVNIH-QFIPXVFZSA-N 1 0 374.525 4.085 40 0 FIABRO O=C(CSc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462568 571057793 /nfs/dbraw/zinc/05/77/93/571057793.db2.gz NQFBFBVYLRXYBT-UHFFFAOYSA-N 1 0 374.937 4.344 40 0 FIABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225714723 571058410 /nfs/dbraw/zinc/05/84/10/571058410.db2.gz DKEJASXHTQGJHX-XMSQKQJNSA-N 1 0 374.525 4.085 40 0 FIABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225730149 571060057 /nfs/dbraw/zinc/06/00/57/571060057.db2.gz IYXYTYBPTCGSQO-NRFANRHFSA-N 1 0 362.514 4.085 40 0 FIABRO O=C(NCCC[NH+]1CCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225778089 571064870 /nfs/dbraw/zinc/06/48/70/571064870.db2.gz ABWWRLJNYCWUHJ-UHFFFAOYSA-N 1 0 372.896 4.135 40 0 FIABRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038835065 571087172 /nfs/dbraw/zinc/08/71/72/571087172.db2.gz PSEFTLFRWPSOHD-INIZCTEOSA-N 1 0 358.869 4.199 40 0 FIABRO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038833919 571087182 /nfs/dbraw/zinc/08/71/82/571087182.db2.gz MEDBCWDZWKZKCZ-INIZCTEOSA-N 1 0 373.294 4.300 40 0 FIABRO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038857403 571088445 /nfs/dbraw/zinc/08/84/45/571088445.db2.gz BWECIMPOKJOUBX-KRWDZBQOSA-N 1 0 360.860 4.008 40 0 FIABRO Cc1ccc(C)c(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044875231 571103511 /nfs/dbraw/zinc/10/35/11/571103511.db2.gz VIPPPKPUXOPAQX-UHFFFAOYSA-N 1 0 350.506 4.148 40 0 FIABRO CCOc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044931984 571104719 /nfs/dbraw/zinc/10/47/19/571104719.db2.gz ZDMXEXHUTHWFMB-UHFFFAOYSA-N 1 0 366.505 4.391 40 0 FIABRO CCOc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044919869 571104892 /nfs/dbraw/zinc/10/48/92/571104892.db2.gz IKDVJYWYJNKFJR-UHFFFAOYSA-N 1 0 366.505 4.391 40 0 FIABRO CCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260816784 571123608 /nfs/dbraw/zinc/12/36/08/571123608.db2.gz QGCZSMREDLHKSB-VGOFRKELSA-N 1 0 374.525 4.084 40 0 FIABRO Cc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)s1 ZINC000072334479 571178664 /nfs/dbraw/zinc/17/86/64/571178664.db2.gz BULJCKXAABWMRR-UHFFFAOYSA-N 1 0 357.519 4.372 40 0 FIABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072345886 571179633 /nfs/dbraw/zinc/17/96/33/571179633.db2.gz CBEJFFSYBMPZGS-SFHVURJKSA-N 1 0 362.452 4.245 40 0 FIABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)n2)cc1 ZINC000072369922 571184879 /nfs/dbraw/zinc/18/48/79/571184879.db2.gz LETVPFMJNXEBHV-INIZCTEOSA-N 1 0 369.852 4.388 40 0 FIABRO c1ccc(CC[N@@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377559 571186653 /nfs/dbraw/zinc/18/66/53/571186653.db2.gz JBASBVOVBWOYIY-IBGZPJMESA-N 1 0 359.477 4.037 40 0 FIABRO O=C1CC[C@]2(CCC[N@H+](CC3CCCCC3)CC2)N1Cc1cncs1 ZINC000585100114 571221234 /nfs/dbraw/zinc/22/12/34/571221234.db2.gz FYVNSVAEULKGSH-FQEVSTJZSA-N 1 0 361.555 4.071 40 0 FIABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](CC1CCCCC1)CC2 ZINC000585099857 571221779 /nfs/dbraw/zinc/22/17/79/571221779.db2.gz KKUNYQAQYCKSKH-QFIPXVFZSA-N 1 0 373.541 4.219 40 0 FIABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)cs1 ZINC000585105458 571223762 /nfs/dbraw/zinc/22/37/62/571223762.db2.gz WYSDXJUCKKAAFY-HXUWFJFHSA-N 1 0 372.534 4.121 40 0 FIABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000585182580 571238433 /nfs/dbraw/zinc/23/84/33/571238433.db2.gz ZEUZGAJSYASKFB-KRWDZBQOSA-N 1 0 372.476 4.036 40 0 FIABRO CCC(=O)N(c1ccccc1)[C@H]1CC[N@H+](CCc2ccccc2)C[C@H]1C ZINC000001850436 571275690 /nfs/dbraw/zinc/27/56/90/571275690.db2.gz MLQRZXNZHAOCHQ-KNQAVFIVSA-N 1 0 350.506 4.383 40 0 in-man FIABRO C[C@@H](CC[N@@H+]1CCc2nc([C@H]3CCCCN3C)ncc2C1)c1ccccc1 ZINC000248160977 571291156 /nfs/dbraw/zinc/29/11/56/571291156.db2.gz XMIGJZFWLPJIND-PGRDOPGGSA-N 1 0 364.537 4.185 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c1 ZINC000009063082 571302503 /nfs/dbraw/zinc/30/25/03/571302503.db2.gz QLZBPMDUPGKWES-HXUWFJFHSA-N 1 0 364.533 4.345 40 0 FIABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c1 ZINC000009063081 571302513 /nfs/dbraw/zinc/30/25/13/571302513.db2.gz QLZBPMDUPGKWES-FQEVSTJZSA-N 1 0 364.533 4.345 40 0 FIABRO Clc1ccc(OCc2cc([C@H]3CC[N@H+](Cc4ccccn4)C3)n[nH]2)cc1 ZINC000019696181 571304308 /nfs/dbraw/zinc/30/43/08/571304308.db2.gz YYIIPVDYYSHQJV-HNNXBMFYSA-N 1 0 368.868 4.027 40 0 FIABRO