smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)o2)cc1C ZINC000248119505 1092371605 /nfs/dbraw/zinc/37/16/05/1092371605.db2.gz NEROAWMFERKOLA-CDXJDZJCSA-N 1 0 355.482 4.041 10 0 FIAERO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000247344616 1092632921 /nfs/dbraw/zinc/63/29/21/1092632921.db2.gz XTPJMWNFPGICHD-NZQKXSOJSA-N 1 0 364.489 4.066 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Br)s1 ZINC000246277627 1099206665 /nfs/dbraw/zinc/20/66/65/1099206665.db2.gz BEUDZHYBLINYBT-MJVIPROJSA-N 1 0 362.358 4.216 10 0 FIAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000246544526 1099368552 /nfs/dbraw/zinc/36/85/52/1099368552.db2.gz WDXYJBFCGLLPMQ-GJRWTSMGSA-N 1 0 362.564 4.433 10 0 FIAERO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246767099 1099375502 /nfs/dbraw/zinc/37/55/02/1099375502.db2.gz WIEAHZAXSGFDOP-FUHWJXTLSA-N 1 0 374.506 4.141 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000247136858 1099384054 /nfs/dbraw/zinc/38/40/54/1099384054.db2.gz AXABPDILWFPPKY-JTDSTZFVSA-N 1 0 366.534 4.253 10 0 FIAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccccc3CCC(F)(F)F)CC[C@H]21 ZINC000248145365 1099396502 /nfs/dbraw/zinc/39/65/02/1099396502.db2.gz QCVUVXWEXJCLIP-DOTOQJQBSA-N 1 0 369.431 4.130 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c2ccc(F)cc2C1 ZINC000248657828 1099405904 /nfs/dbraw/zinc/40/59/04/1099405904.db2.gz XOEIXELIZMPNTK-MRFFXTKBSA-N 1 0 356.441 4.125 10 0 FIAERO CC(=O)Nc1nc(CNc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cs1 ZINC000177229185 1101488986 /nfs/dbraw/zinc/48/89/86/1101488986.db2.gz ILPLEYJFGDEVQS-ZDUSSCGKSA-N 1 0 358.511 4.074 10 0 FIAERO C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(OCC[NH+](C)C)c1 ZINC000179809150 1101564977 /nfs/dbraw/zinc/56/49/77/1101564977.db2.gz IMHIOWMZTYBYCU-INIZCTEOSA-N 1 0 367.493 4.075 10 0 FIAERO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)ccc1Br ZINC000180085957 1101571054 /nfs/dbraw/zinc/57/10/54/1101571054.db2.gz ZOEHANYLIUEDOE-CQSZACIVSA-N 1 0 371.282 4.189 10 0 FIAERO COc1cc([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)ccc1SC ZINC000180398030 1101573090 /nfs/dbraw/zinc/57/30/90/1101573090.db2.gz LWGMZRFBWGUWNF-BBRMVZONSA-N 1 0 356.491 4.194 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]C2CC(c3ccc(C)cc3)C2)c2ccc(F)cc2C1 ZINC000184515404 1101656732 /nfs/dbraw/zinc/65/67/32/1101656732.db2.gz VHRLIGCRSHRPHW-HCPAQRILSA-N 1 0 366.480 4.463 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)c2ccc(F)cc2C1 ZINC000184512978 1101657223 /nfs/dbraw/zinc/65/72/23/1101657223.db2.gz RPFFURPCFZEAPD-WOJBJXKFSA-N 1 0 370.493 4.446 10 0 FIAERO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1OC ZINC000184509243 1101657626 /nfs/dbraw/zinc/65/76/26/1101657626.db2.gz MEOJVSSVAHEUHI-NHCUHLMSSA-N 1 0 370.468 4.369 10 0 FIAERO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1OC ZINC000184509259 1101657794 /nfs/dbraw/zinc/65/77/94/1101657794.db2.gz MEOJVSSVAHEUHI-SFTDATJTSA-N 1 0 370.468 4.369 10 0 FIAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1F ZINC000184526764 1101658467 /nfs/dbraw/zinc/65/84/67/1101658467.db2.gz WDCGDYVMFHHJBI-ZUOKHONESA-N 1 0 374.431 4.118 10 0 FIAERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184528509 1101659401 /nfs/dbraw/zinc/65/94/01/1101659401.db2.gz VSMMWAUDNBRAAD-IVZQSRNASA-N 1 0 370.468 4.369 10 0 FIAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184538901 1101661492 /nfs/dbraw/zinc/66/14/92/1101661492.db2.gz RFXCSCUFMXEGHZ-QVKFZJNVSA-N 1 0 370.468 4.287 10 0 FIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184538915 1101661721 /nfs/dbraw/zinc/66/17/21/1101661721.db2.gz RFXCSCUFMXEGHZ-YCRPNKLZSA-N 1 0 370.468 4.287 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2c(C)oc3ccccc32)c2ccc(F)cc2C1 ZINC000185606586 1101743521 /nfs/dbraw/zinc/74/35/21/1101743521.db2.gz OWWUZOGCWWLTQI-NRFANRHFSA-N 1 0 366.436 4.463 10 0 FIAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)C12CCCC2 ZINC000121145536 1102642193 /nfs/dbraw/zinc/64/21/93/1102642193.db2.gz KIJSRQJFKDWPBS-ROUUACIJSA-N 1 0 355.482 4.215 10 0 FIAERO CC(C)C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000126127198 1102697975 /nfs/dbraw/zinc/69/79/75/1102697975.db2.gz DLHXCQXCAVNPIQ-VCOUNFBDSA-N 1 0 352.526 4.064 10 0 FIAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1ccccc1C(F)(F)F ZINC000194517373 1103071352 /nfs/dbraw/zinc/07/13/52/1103071352.db2.gz MOYCILKNJZTAHN-LBPRGKRZSA-N 1 0 363.383 4.090 10 0 FIAERO Clc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c2c(c1)COCO2 ZINC000195354071 1103085046 /nfs/dbraw/zinc/08/50/46/1103085046.db2.gz BHRLFPHHIGEKEH-GFCCVEGCSA-N 1 0 350.871 4.043 10 0 FIAERO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000168413421 1109364257 /nfs/dbraw/zinc/36/42/57/1109364257.db2.gz QPLQHLCHRYJOGA-OAHLLOKOSA-N 1 0 371.506 4.024 10 0 FIAERO CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118557005 1109989974 /nfs/dbraw/zinc/98/99/74/1109989974.db2.gz UODUXVOPCGIMFI-UHFFFAOYSA-N 1 0 365.905 4.219 10 0 FIAERO Cc1csc2n1c(C(=O)c1ccc(F)cc1)c(C)[n+]2-c1ccccc1 ZINC000001498002 204010506 /nfs/dbraw/zinc/01/05/06/204010506.db2.gz XSGDBIXIAOCRIV-UHFFFAOYSA-N 1 0 351.426 4.264 10 0 FIAERO CCC[NH+](CCC)CCNC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004034427 204117672 /nfs/dbraw/zinc/11/76/72/204117672.db2.gz LBSDNKSTXVABRZ-UHFFFAOYSA-N 1 0 353.466 4.141 10 0 FIAERO Oc1cccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCCC2)c1 ZINC000005286582 204200830 /nfs/dbraw/zinc/20/08/30/204200830.db2.gz DJLHFIOVQHHHQY-UHFFFAOYSA-N 1 0 360.461 4.148 10 0 FIAERO Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006818458 204273397 /nfs/dbraw/zinc/27/33/97/204273397.db2.gz IPLIFWSHJVZXKM-UHFFFAOYSA-N 1 0 369.484 4.220 10 0 FIAERO Clc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000010314158 204393784 /nfs/dbraw/zinc/39/37/84/204393784.db2.gz QSGVRDLPVJDGHM-UHFFFAOYSA-N 1 0 355.869 4.295 10 0 FIAERO CCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1Br ZINC000010475199 204397397 /nfs/dbraw/zinc/39/73/97/204397397.db2.gz CBPCGDPUYUMOPW-UHFFFAOYSA-N 1 0 364.283 4.189 10 0 FIAERO COc1cc(C[NH2+]CCCCCO)ccc1OCc1ccc(Cl)cc1 ZINC000013726853 204548301 /nfs/dbraw/zinc/54/83/01/204548301.db2.gz XNQVMJINNKLUHX-UHFFFAOYSA-N 1 0 363.885 4.180 10 0 FIAERO O=c1[nH]c2ccccc2n1C1CC[NH+]([C@@H]2Cc3cccc4cccc2c34)CC1 ZINC000038459402 205041514 /nfs/dbraw/zinc/04/15/14/205041514.db2.gz VSKOUBDVXYXQKC-JOCHJYFZSA-N 1 0 369.468 4.417 10 0 FIAERO Clc1cccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)c1 ZINC000073685209 205033532 /nfs/dbraw/zinc/03/35/32/205033532.db2.gz URBILNWNOQCTSC-MRXNPFEDSA-N 1 0 365.868 4.023 10 0 FIAERO CN(Cc1ccc(Cl)s1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042317456 205095722 /nfs/dbraw/zinc/09/57/22/205095722.db2.gz YEWWEADUAOXKRR-VIFPVBQESA-N 1 0 365.749 4.357 10 0 FIAERO CC[NH2+][C@H](c1ccc(CC)o1)c1ccc(I)cc1 ZINC000051727826 205184227 /nfs/dbraw/zinc/18/42/27/205184227.db2.gz YNIAPQSHMQINJO-HNNXBMFYSA-N 1 0 355.219 4.146 10 0 FIAERO Cc1ccc(C)c(C[C@H]([NH3+])c2ccccc2I)c1 ZINC000053144000 205190359 /nfs/dbraw/zinc/19/03/59/205190359.db2.gz XIFYAESTECMPPO-INIZCTEOSA-N 1 0 351.231 4.151 10 0 FIAERO Cc1ccc(C)c(C[C@@H]([NH3+])c2ccccc2I)c1 ZINC000053144004 205190640 /nfs/dbraw/zinc/19/06/40/205190640.db2.gz XIFYAESTECMPPO-MRXNPFEDSA-N 1 0 351.231 4.151 10 0 FIAERO CC[C@@H](C)[NH2+]C[C@H](C)Oc1ccc(Br)cc1Br ZINC000053586671 205194762 /nfs/dbraw/zinc/19/47/62/205194762.db2.gz DSXMCPZSEVLDSN-ZJUUUORDSA-N 1 0 365.109 4.367 10 0 FIAERO CC[NH2+][C@@H](C)CC(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000061269374 205286820 /nfs/dbraw/zinc/28/68/20/205286820.db2.gz PJTWYJZORSFMEJ-ZETCQYMHSA-N 1 0 354.075 4.083 10 0 FIAERO c1nc2cc(-c3noc(-c4ccccc4)n3)ccc2n1CC[NH+]1CCCCC1 ZINC000065255077 205330198 /nfs/dbraw/zinc/33/01/98/205330198.db2.gz FYNVJGURFUQZDW-UHFFFAOYSA-N 1 0 373.460 4.239 10 0 FIAERO C[C@H]1c2ccsc2CCN1[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042744104 206004621 /nfs/dbraw/zinc/00/46/21/206004621.db2.gz GRPRFBSJKXKIGV-ONGXEEELSA-N 1 0 357.342 4.191 10 0 FIAERO Cc1ccc([C@H](Oc2ccc(I)cc2)[C@@H](C)[NH3+])cc1 ZINC000042911505 206010380 /nfs/dbraw/zinc/01/03/80/206010380.db2.gz AIFNTVLSWZUIBK-MLGOLLRUSA-N 1 0 367.230 4.067 10 0 FIAERO Cc1cccc([C@@H](Oc2cccc(I)c2)[C@H](C)[NH3+])c1 ZINC000042969133 206014878 /nfs/dbraw/zinc/01/48/78/206014878.db2.gz MTUQJFZHFBLJLI-LRDDRELGSA-N 1 0 367.230 4.067 10 0 FIAERO Cc1cccc([C@H](Oc2ccc(I)cc2)[C@H](C)[NH3+])c1 ZINC000042969115 206015604 /nfs/dbraw/zinc/01/56/04/206015604.db2.gz XUWOQYRABFAGBN-BLLLJJGKSA-N 1 0 367.230 4.067 10 0 FIAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(F)c(Br)c1 ZINC000038009689 263399473 /nfs/dbraw/zinc/39/94/73/263399473.db2.gz PPBCTEZOPQKXKD-BXUZGUMPSA-N 1 0 350.231 4.243 10 0 FIAERO CCOc1cc(C[NH2+]CCN(CC)CC)ccc1OCc1ccc(C)cc1 ZINC000020874388 520714405 /nfs/dbraw/zinc/71/44/05/520714405.db2.gz LHNASXSXOCPJCV-UHFFFAOYSA-N 1 0 370.537 4.404 10 0 FIAERO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874845 520719487 /nfs/dbraw/zinc/71/94/87/520719487.db2.gz FLNYPJCIPZPOHL-HNNXBMFYSA-N 1 0 363.885 4.097 10 0 FIAERO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875621 522227131 /nfs/dbraw/zinc/22/71/31/522227131.db2.gz RWVMWKDLSPMYIP-LLVKDONJSA-N 1 0 358.663 4.223 10 0 FIAERO Cc1cc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)ccc1Br ZINC000020875764 526039400 /nfs/dbraw/zinc/03/94/00/526039400.db2.gz CFVUYPYVRAUEOX-AWEZNQCLSA-N 1 0 350.256 4.286 10 0 FIAERO Cc1nnc([C@H](N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c2ccccc2)[nH]1 ZINC000162555853 568038827 /nfs/dbraw/zinc/03/88/27/568038827.db2.gz CQWSOQXFVIZPBY-YCRPNKLZSA-N 1 0 372.476 4.047 10 0 FIAERO [NH3+]CC[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000701056627 570593746 /nfs/dbraw/zinc/59/37/46/570593746.db2.gz RYOIMCVLRKPVIN-MRXNPFEDSA-N 1 0 350.462 4.139 10 0 FIAERO COc1cc(C[NH2+]CCCCCO)ccc1OCc1cccc(Cl)c1 ZINC000013727141 570787644 /nfs/dbraw/zinc/78/76/44/570787644.db2.gz FEEPHHTZPAOSIU-UHFFFAOYSA-N 1 0 363.885 4.180 10 0 FIAERO CCOc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccccc1F ZINC000013729923 570788209 /nfs/dbraw/zinc/78/82/09/570788209.db2.gz UHSCDDQALXAGQN-GOSISDBHSA-N 1 0 359.441 4.072 10 0 FIAERO Cc1ccccc1C[C@@]1(CO)CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000015071323 570831398 /nfs/dbraw/zinc/83/13/98/570831398.db2.gz KYKRKJORORNGTH-DEOSSOPVSA-N 1 0 360.501 4.360 10 0 FIAERO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028427987 571026672 /nfs/dbraw/zinc/02/66/72/571026672.db2.gz FKYDLUZQDIMVSE-HNNXBMFYSA-N 1 0 354.277 4.433 10 0 FIAERO Cc1ccc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1Br ZINC000675052794 571148277 /nfs/dbraw/zinc/14/82/77/571148277.db2.gz FHKRODVOCLKWRJ-DZGCQCFKSA-N 1 0 369.303 4.075 10 0 FIAERO CN(C)[C@@](C)(C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000075582555 571201356 /nfs/dbraw/zinc/20/13/56/571201356.db2.gz PYVMOAYUUSCPEP-HSZRJFAPSA-N 1 0 365.521 4.088 10 0 FIAERO C[N@@H+]1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccc(O)cc1 ZINC000077303364 571277794 /nfs/dbraw/zinc/27/77/94/571277794.db2.gz ATWQNFCHQINGLW-PRDNPTHXSA-N 1 0 364.489 4.461 10 0 in-vitro FIAERO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330142754 1089694360 /nfs/dbraw/zinc/69/43/60/1089694360.db2.gz YLPRKZOLEAMPBI-FRIZHTMISA-N 1 0 361.873 4.078 10 0 FIAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(F)c(Cl)cc3Cl)n1)OC2 ZINC000329616183 1095004530 /nfs/dbraw/zinc/00/45/30/1095004530.db2.gz SJLQSULEJQZNES-BBRMVZONSA-N 1 0 372.227 4.108 10 0 FIAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000246472020 1099362721 /nfs/dbraw/zinc/36/27/21/1099362721.db2.gz QPNFXJONODHTBT-OGWOLHLISA-N 1 0 371.493 4.253 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc1OC(F)F ZINC000246562394 1099369003 /nfs/dbraw/zinc/36/90/03/1099369003.db2.gz XGYBCXNAZWGHSK-YEWDVWPNSA-N 1 0 373.465 4.002 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc(OC)c1OC ZINC000246917492 1099378752 /nfs/dbraw/zinc/37/87/52/1099378752.db2.gz GDVXPXNNMWFZOP-RRMPHLOHSA-N 1 0 371.477 4.283 10 0 FIAERO CC1(C)OCc2cc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)ccc2O1 ZINC000249067333 1099415125 /nfs/dbraw/zinc/41/51/25/1099415125.db2.gz ZOWUPQOXZODCQM-QZTJIDSGSA-N 1 0 357.450 4.013 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CCc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000184509580 1101657491 /nfs/dbraw/zinc/65/74/91/1101657491.db2.gz SFOHDWCSSZPJGZ-IVZQSRNASA-N 1 0 372.459 4.369 10 0 FIAERO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(F)cc1 ZINC000184512804 1101657645 /nfs/dbraw/zinc/65/76/45/1101657645.db2.gz JYLFYBBICVRZAW-LEWJYISDSA-N 1 0 358.432 4.499 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2F)c2ccc(F)cc2C1 ZINC000184532498 1101659709 /nfs/dbraw/zinc/65/97/09/1101659709.db2.gz KXBSJYSJIMWANY-OYHNWAKOSA-N 1 0 372.459 4.369 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)c2ccc(F)cc2C1 ZINC000184524869 1101659783 /nfs/dbraw/zinc/65/97/83/1101659783.db2.gz ABJRBOWXBYBZCW-MPBGBICISA-N 1 0 362.395 4.248 10 0 FIAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000189247587 1101862888 /nfs/dbraw/zinc/86/28/88/1101862888.db2.gz UTECWXYLGIHBCZ-DXBWTPJFSA-N 1 0 355.482 4.114 10 0 FIAERO COCCC1(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)CCCCC1 ZINC000189824907 1101905545 /nfs/dbraw/zinc/90/55/45/1101905545.db2.gz UDWKMSTYCYBUEH-UHFFFAOYSA-N 1 0 373.585 4.007 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]C/C(C)=C/c2ccccc2)c2ccc(F)cc2C1 ZINC000192709756 1101970748 /nfs/dbraw/zinc/97/07/48/1101970748.db2.gz INMVCPWQLHAONV-KFGZODLXSA-N 1 0 352.453 4.312 10 0 FIAERO Cc1c([C@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)cnn1-c1ccccn1 ZINC000090664221 1102304294 /nfs/dbraw/zinc/30/42/94/1102304294.db2.gz JBFCRRHMESDQNL-KRWDZBQOSA-N 1 0 369.472 4.489 10 0 FIAERO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(Cl)c1 ZINC000116474911 1102555431 /nfs/dbraw/zinc/55/54/31/1102555431.db2.gz PNZPIOVGDZTYLT-MAUKXSAKSA-N 1 0 372.900 4.076 10 0 FIAERO CCCCOc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(C)c1 ZINC000128601109 1102759682 /nfs/dbraw/zinc/75/96/82/1102759682.db2.gz FIEZMBKYIOGDEV-UHFFFAOYSA-N 1 0 359.514 4.266 10 0 FIAERO Cc1ccc(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1OCC1CCCCC1 ZINC000333887699 1103054405 /nfs/dbraw/zinc/05/44/05/1103054405.db2.gz XMSAEENRQUQTCO-UHFFFAOYSA-N 1 0 371.525 4.314 10 0 FIAERO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000195037481 1103079112 /nfs/dbraw/zinc/07/91/12/1103079112.db2.gz RQVCTLXCVSULES-JXFKEZNVSA-N 1 0 366.534 4.376 10 0 FIAERO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248202555 1106790517 /nfs/dbraw/zinc/79/05/17/1106790517.db2.gz ZENYROBCQTWIMT-NZQKXSOJSA-N 1 0 364.489 4.066 10 0 FIAERO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cnn1-c1ccccn1 ZINC000121828719 1107065898 /nfs/dbraw/zinc/06/58/98/1107065898.db2.gz LDTBTIGQDXKMPE-IAGOWNOFSA-N 1 0 372.476 4.173 10 0 FIAERO Cc1csc([C@@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccccc4)o3)C2)n1 ZINC000249919019 1112491077 /nfs/dbraw/zinc/49/10/77/1112491077.db2.gz YGFQZTKICFZRKS-GDBMZVCRSA-N 1 0 354.479 4.442 10 0 FIAERO CC[NH2+][C@@H](c1ccc(I)cc1)c1ccc(F)c(F)c1 ZINC000035548762 204308667 /nfs/dbraw/zinc/30/86/67/204308667.db2.gz ZYDGGQBXLQLCTD-HNNXBMFYSA-N 1 0 373.184 4.268 10 0 FIAERO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000039468212 205046257 /nfs/dbraw/zinc/04/62/57/205046257.db2.gz BCWBGAUTERWIJP-HNNXBMFYSA-N 1 0 355.445 4.246 10 0 FIAERO Cc1c(C[NH+]2CCC3(CC2)OCc2ccccc23)cnn1-c1ccccc1 ZINC000040393877 205068570 /nfs/dbraw/zinc/06/85/70/205068570.db2.gz GHFOMDVMEPVDQZ-UHFFFAOYSA-N 1 0 359.473 4.202 10 0 FIAERO [NH3+]C[C@@H](Oc1cccc(Br)c1)c1cccc(Br)c1 ZINC000043022661 205099012 /nfs/dbraw/zinc/09/90/12/205099012.db2.gz IVJBUGZMGAELRP-CQSZACIVSA-N 1 0 371.072 4.290 10 0 FIAERO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cc(F)c(F)cc1Cl ZINC000041970353 205092652 /nfs/dbraw/zinc/09/26/52/205092652.db2.gz SZYWKCRRYASNQK-UHFFFAOYSA-N 1 0 350.796 4.466 10 0 FIAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(I)cc1)c1cccs1 ZINC000043111192 205100755 /nfs/dbraw/zinc/10/07/55/205100755.db2.gz RJQRIXAJRICOCC-OCCSQVGLSA-N 1 0 373.259 4.210 10 0 FIAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1I)c1cccs1 ZINC000043111583 205101690 /nfs/dbraw/zinc/10/16/90/205101690.db2.gz LIXRDDLTAYXJBF-BXUZGUMPSA-N 1 0 373.259 4.210 10 0 FIAERO Brc1ccc(NCCC[NH+]2CCCC2)c(Br)c1 ZINC000049332715 205171288 /nfs/dbraw/zinc/17/12/88/205171288.db2.gz DZPFQCNJTSELER-UHFFFAOYSA-N 1 0 362.109 4.109 10 0 FIAERO Brc1ccc(Br)c(NCCC[NH+]2CCCC2)c1 ZINC000049332691 205171612 /nfs/dbraw/zinc/17/16/12/205171612.db2.gz NXGVOHWKQZAVTQ-UHFFFAOYSA-N 1 0 362.109 4.109 10 0 FIAERO Cc1cccc([C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)c2cccs2)c1 ZINC000065493230 205355877 /nfs/dbraw/zinc/35/58/77/205355877.db2.gz PZGMZQCQFCINFG-FQEVSTJZSA-N 1 0 356.535 4.383 10 0 FIAERO C[C@@H]1c2ccsc2CCN1[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042744101 206004814 /nfs/dbraw/zinc/00/48/14/206004814.db2.gz GRPRFBSJKXKIGV-KOLCDFICSA-N 1 0 357.342 4.191 10 0 FIAERO Cc1cccc([C@@H](Oc2ccccc2I)[C@@H](C)[NH3+])c1 ZINC000042969241 206014566 /nfs/dbraw/zinc/01/45/66/206014566.db2.gz MFCYTIKLAKKQJA-WBMJQRKESA-N 1 0 367.230 4.067 10 0 FIAERO Cc1cccc([C@H](Oc2cccc(I)c2)[C@H](C)[NH3+])c1 ZINC000042969131 206015197 /nfs/dbraw/zinc/01/51/97/206015197.db2.gz MTUQJFZHFBLJLI-BLLLJJGKSA-N 1 0 367.230 4.067 10 0 FIAERO Cc1cccc([C@@H](Oc2ccc(I)cc2)[C@H](C)[NH3+])c1 ZINC000042969118 206015628 /nfs/dbraw/zinc/01/56/28/206015628.db2.gz XUWOQYRABFAGBN-LRDDRELGSA-N 1 0 367.230 4.067 10 0 FIAERO CCCCOCCC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000013719859 206305411 /nfs/dbraw/zinc/30/54/11/206305411.db2.gz BMPFOXPPURLQFU-UHFFFAOYSA-N 1 0 374.319 4.153 10 0 FIAERO COc1cc2c(Cl)nc(Cl)nc2cc1OCCC[NH+]1CCCCC1 ZINC000216073346 206354074 /nfs/dbraw/zinc/35/40/74/206354074.db2.gz LWPFLMBUTXWJSW-UHFFFAOYSA-N 1 0 370.280 4.200 10 0 FIAERO Fc1ccccc1-c1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2ccccc2)n1 ZINC000073684797 526407609 /nfs/dbraw/zinc/40/76/09/526407609.db2.gz LMCUUSBYBLKBSI-INIZCTEOSA-N 1 0 362.452 4.361 10 0 FIAERO CSc1ccc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1F ZINC000162524811 568027505 /nfs/dbraw/zinc/02/75/05/568027505.db2.gz DNUPAOQBSSCBTE-KZULUSFZSA-N 1 0 356.470 4.414 10 0 FIAERO Cc1nnc([C@@H](N[C@H]2CC3(CCC3)Oc3ccccc32)c2ccccc2)[nH]1 ZINC000162577534 568034848 /nfs/dbraw/zinc/03/48/48/568034848.db2.gz AZAYCCFMMXRGIX-ICSRJNTNSA-N 1 0 360.461 4.239 10 0 FIAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1F ZINC000228489193 568081167 /nfs/dbraw/zinc/08/11/67/568081167.db2.gz TWPGILKLBRLQMV-BHYGNILZSA-N 1 0 356.279 4.104 10 0 FIAERO Clc1ccc2c(c1)N(CCCN1CC[NH2+]CC1)c1ccccc1S2 ZINC000022056366 570938343 /nfs/dbraw/zinc/93/83/43/570938343.db2.gz ZWIQAXTYRCAVFE-UHFFFAOYSA-N 1 0 359.926 4.238 10 0 in-vitro FIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000022935859 570954079 /nfs/dbraw/zinc/95/40/79/570954079.db2.gz WDUBWKXFTWYXBN-NRFANRHFSA-N 1 0 368.521 4.157 10 0 FIAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000190424086 571186512 /nfs/dbraw/zinc/18/65/12/571186512.db2.gz UCHDITVWFAZYAH-HKUYNNGSSA-N 1 0 370.884 4.115 10 0 FIAERO CN1CC[C@@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)[C@@H]1c1cccnc1 ZINC000328630550 571325229 /nfs/dbraw/zinc/32/52/29/571325229.db2.gz JMULUWYCDOIGLG-UWJYYQICSA-N 1 0 366.896 4.066 10 0 FIAERO C[N@@H+](Cc1ccc2ncccc2c1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328642125 571325821 /nfs/dbraw/zinc/32/58/21/571325821.db2.gz QVZNFAJIGKFDEJ-HNNXBMFYSA-N 1 0 374.410 4.145 10 0 FIAERO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000152277688 1084720642 /nfs/dbraw/zinc/72/06/42/1084720642.db2.gz PUYVZEGCGUOWNB-INIZCTEOSA-N 1 0 350.466 4.091 10 0 FIAERO CC(C)(C)c1ccc2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)[nH]c2c1 ZINC000329747408 1087254589 /nfs/dbraw/zinc/25/45/89/1087254589.db2.gz ZIWFRVDPXMGLEA-QAPCUYQASA-N 1 0 366.465 4.051 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000246194661 1099089119 /nfs/dbraw/zinc/08/91/19/1099089119.db2.gz ABSDYGQLRACRNU-BJJXKVORSA-N 1 0 361.429 4.291 10 0 FIAERO O=C1C[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000246292492 1099218598 /nfs/dbraw/zinc/21/85/98/1099218598.db2.gz CLSCPQWDSHQBEH-COPCDDAFSA-N 1 0 366.480 4.100 10 0 FIAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000246456899 1099351330 /nfs/dbraw/zinc/35/13/30/1099351330.db2.gz FNSFPZOVBHKGNO-FUHWJXTLSA-N 1 0 374.506 4.141 10 0 FIAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000173989979 1101377174 /nfs/dbraw/zinc/37/71/74/1101377174.db2.gz JNTVGAZBZRNNRZ-ZDUSSCGKSA-N 1 0 368.868 4.432 10 0 FIAERO CC(C)c1ccc(-c2ncc(C[NH+]3CCC(n4cncn4)CC3)s2)cc1 ZINC000174837159 1101415545 /nfs/dbraw/zinc/41/55/45/1101415545.db2.gz HBDHABNDCGJDBT-UHFFFAOYSA-N 1 0 367.522 4.362 10 0 FIAERO O=C(Nc1ccc(CCC(F)(F)F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000176278719 1101453238 /nfs/dbraw/zinc/45/32/38/1101453238.db2.gz OUFOXYAMOWYIGJ-UHFFFAOYSA-N 1 0 369.431 4.274 10 0 FIAERO C[C@H]([NH3+])c1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 ZINC000178185306 1101519367 /nfs/dbraw/zinc/51/93/67/1101519367.db2.gz JYWSQVPOPUBIBB-LBPRGKRZSA-N 1 0 355.438 4.150 10 0 FIAERO Clc1ccc([C@H]([NH2+]Cc2cccnc2-n2cncn2)C2CC2)cc1Cl ZINC000180019432 1101569395 /nfs/dbraw/zinc/56/93/95/1101569395.db2.gz COVNPAQCWUFMOU-QGZVFWFLSA-N 1 0 374.275 4.210 10 0 FIAERO C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCOC2)c1ccccc1-n1cccn1 ZINC000183171756 1101621446 /nfs/dbraw/zinc/62/14/46/1101621446.db2.gz RHIHILFJLRBIPM-CQSZACIVSA-N 1 0 369.852 4.243 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2F)c2ccc(F)cc2C1 ZINC000184528832 1101659189 /nfs/dbraw/zinc/65/91/89/1101659189.db2.gz OLPLUOYGOPRUJB-YUNKPMOVSA-N 1 0 362.395 4.248 10 0 FIAERO COc1ccc([C@@H](C)C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185350730 1101694221 /nfs/dbraw/zinc/69/42/21/1101694221.db2.gz HLSWTHAIAFKPRW-OYHNWAKOSA-N 1 0 370.468 4.021 10 0 FIAERO COc1ccc([C@H](C)C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185350787 1101694680 /nfs/dbraw/zinc/69/46/80/1101694680.db2.gz HLSWTHAIAFKPRW-QRQCRPRQSA-N 1 0 370.468 4.021 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC(C)C)c2)c2ccc(F)cc2C1 ZINC000185365644 1101695992 /nfs/dbraw/zinc/69/59/92/1101695992.db2.gz IGDMZXDBIAXRFX-QFIPXVFZSA-N 1 0 370.468 4.196 10 0 FIAERO COc1ccsc1[C@H](C)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000186290277 1101762636 /nfs/dbraw/zinc/76/26/36/1101762636.db2.gz NMDWACPVXGYUAF-SJCJKPOMSA-N 1 0 362.470 4.040 10 0 FIAERO Brc1ccccc1-c1noc([C@H]2CCCN2Cc2cc[nH]c2)n1 ZINC000191205725 1101938214 /nfs/dbraw/zinc/93/82/14/1101938214.db2.gz DDFNFJUXRVRVJK-OAHLLOKOSA-N 1 0 373.254 4.164 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2C)c2ccc(F)cc2C1 ZINC000191503504 1101944477 /nfs/dbraw/zinc/94/44/77/1101944477.db2.gz JRBWNNHCILXPOT-LHSJRXKWSA-N 1 0 372.488 4.056 10 0 FIAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000194519583 1103072960 /nfs/dbraw/zinc/07/29/60/1103072960.db2.gz BUGNIYKNXHMSEH-NSHDSACASA-N 1 0 364.276 4.378 10 0 FIAERO Cc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000120748726 1110280560 /nfs/dbraw/zinc/28/05/60/1110280560.db2.gz ZXFQZSWTTVEICF-YJBOKZPZSA-N 1 0 372.900 4.076 10 0 FIAERO O[C@H](C[NH+]1CCC(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000001628497 204015319 /nfs/dbraw/zinc/01/53/19/204015319.db2.gz SGOVSIWKDDUZIG-LJQANCHMSA-N 1 0 360.295 4.362 10 0 FIAERO CCOC(=O)c1cc(-c2ccccc2)cc(C(C)(C)C)[n+]1-c1ccccn1 ZINC000005327475 204203215 /nfs/dbraw/zinc/20/32/15/204203215.db2.gz NPZVAPVMSHGHLP-UHFFFAOYSA-N 1 0 361.465 4.500 10 0 FIAERO CC[NH2+][C@H](c1ccc(I)cc1)c1ccc(F)c(F)c1 ZINC000035548765 204309399 /nfs/dbraw/zinc/30/93/99/204309399.db2.gz ZYDGGQBXLQLCTD-OAHLLOKOSA-N 1 0 373.184 4.268 10 0 FIAERO Cc1ccccc1-c1cnnc(NCC2([NH+]3CCCCC3)CCCC2)n1 ZINC000012075256 204429788 /nfs/dbraw/zinc/42/97/88/204429788.db2.gz SQAPUVIDCZIAKC-UHFFFAOYSA-N 1 0 351.498 4.058 10 0 FIAERO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)C)c1 ZINC000036103957 205004593 /nfs/dbraw/zinc/00/45/93/205004593.db2.gz OABYWPKNEHIQFA-QFIPXVFZSA-N 1 0 359.485 4.231 10 0 FIAERO CCC[C@](C)([NH3+])C(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000037621444 205029692 /nfs/dbraw/zinc/02/96/92/205029692.db2.gz ITVJABQASRPMRR-LBPRGKRZSA-N 1 0 354.075 4.212 10 0 FIAERO Clc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3cccnc3)n2)cc1 ZINC000073663010 205032763 /nfs/dbraw/zinc/03/27/63/205032763.db2.gz ODOVOIHPMUSOSE-UHFFFAOYSA-N 1 0 365.868 4.023 10 0 FIAERO Clc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)cc1 ZINC000073685313 205033548 /nfs/dbraw/zinc/03/35/48/205033548.db2.gz URFWGBUUQHJXQF-INIZCTEOSA-N 1 0 365.868 4.023 10 0 FIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(I)cc1 ZINC000042729874 205097407 /nfs/dbraw/zinc/09/74/07/205097407.db2.gz MIJVAEFIJBAXSB-CYBMUJFWSA-N 1 0 357.260 4.360 10 0 FIAERO [NH3+]C[C@H](Oc1ccc(I)cc1)c1ccccc1Cl ZINC000043088379 205101402 /nfs/dbraw/zinc/10/14/02/205101402.db2.gz BZYKYNBEERWDLV-AWEZNQCLSA-N 1 0 373.621 4.023 10 0 FIAERO CC(C)[C@H](O)c1ccc2c(c1)C[N@@H+](Cc1c[nH]c3ccccc13)CCO2 ZINC000055042267 205204964 /nfs/dbraw/zinc/20/49/64/205204964.db2.gz YFPRNWDRBWOCJP-QFIPXVFZSA-N 1 0 350.462 4.252 10 0 FIAERO Cc1cccc(C)c1Oc1ncccc1C[NH2+]Cc1ccc2nonc2c1 ZINC000055099745 205207553 /nfs/dbraw/zinc/20/75/53/205207553.db2.gz QVLIFGNRBKXGRX-UHFFFAOYSA-N 1 0 360.417 4.317 10 0 FIAERO Cc1ccc(C[C@H]([NH3+])c2ccccc2I)cc1C ZINC000053139468 205189715 /nfs/dbraw/zinc/18/97/15/205189715.db2.gz FQNHPIHIILCIOI-INIZCTEOSA-N 1 0 351.231 4.151 10 0 FIAERO CC[C@H]([NH3+])[C@H](Sc1nnc(C)s1)c1ccc(Br)cc1 ZINC000042959660 206012839 /nfs/dbraw/zinc/01/28/39/206012839.db2.gz FCFKVFOWUDHHID-NWDGAFQWSA-N 1 0 358.330 4.180 10 0 FIAERO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2cccs2)Cc2c[nH]c3cccc1c23 ZINC000049171429 206086484 /nfs/dbraw/zinc/08/64/84/206086484.db2.gz CWVKNSKMRHUPHE-OALUTQOASA-N 1 0 367.518 4.147 10 0 FIAERO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H]5O[C@@H]5C[C@@]43C)[C@@H]1C[C@H]([NH+]1CCCC1)C2=O ZINC000118913541 206103764 /nfs/dbraw/zinc/10/37/64/206103764.db2.gz ZZMJTNMGPPBIOY-UGQBMPLZSA-N 1 0 357.538 4.050 10 0 FIAERO Ic1ccc(C[NH2+]Cc2cccc3ccccc32)o1 ZINC000052060639 206161599 /nfs/dbraw/zinc/16/15/99/206161599.db2.gz MVLKUWRBPBGYHM-UHFFFAOYSA-N 1 0 363.198 4.327 10 0 FIAERO C[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000019777697 206326624 /nfs/dbraw/zinc/32/66/24/206326624.db2.gz HEBYIUKRXRXRHH-UHFFFAOYSA-N 1 0 350.256 4.065 10 0 FIAERO CCC[NH2+][C@H](Cc1ccc(Br)s1)Cc1nc(C)cs1 ZINC000055269443 206363471 /nfs/dbraw/zinc/36/34/71/206363471.db2.gz YLWSOKVYKDCRRT-LLVKDONJSA-N 1 0 359.358 4.429 10 0 FIAERO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000020915941 522956197 /nfs/dbraw/zinc/95/61/97/522956197.db2.gz ICPJTVHBFQRLMV-HSZRJFAPSA-N 1 0 359.517 4.374 10 0 FIAERO Fc1ccccc1-c1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2ccccc2)n1 ZINC000073684793 526406974 /nfs/dbraw/zinc/40/69/74/526406974.db2.gz LMCUUSBYBLKBSI-MRXNPFEDSA-N 1 0 362.452 4.361 10 0 FIAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C12CCOCC2 ZINC000186294720 567899603 /nfs/dbraw/zinc/89/96/03/567899603.db2.gz BCFLZHHAJPFLBV-RRQGHBQHSA-N 1 0 368.315 4.074 10 0 FIAERO CCOc1cccc(C[NH2+][C@@H](CC)CO)c1OCc1ccc(Cl)cc1 ZINC000013717458 570786404 /nfs/dbraw/zinc/78/64/04/570786404.db2.gz JFTFRKCRSAXVHU-SFHVURJKSA-N 1 0 363.885 4.178 10 0 FIAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccccc1C ZINC000013721895 570786744 /nfs/dbraw/zinc/78/67/44/570786744.db2.gz INTUQKPXTKWARP-UHFFFAOYSA-N 1 0 357.494 4.487 10 0 FIAERO COCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000013722396 570786760 /nfs/dbraw/zinc/78/67/60/570786760.db2.gz LYRXTOSDJDLFII-UHFFFAOYSA-N 1 0 367.848 4.193 10 0 FIAERO CCOc1cc(C[NH2+]CCCOC)ccc1OCc1ccc(Cl)cc1 ZINC000013722287 570786811 /nfs/dbraw/zinc/78/68/11/570786811.db2.gz BYXOLTQPPQMFSF-UHFFFAOYSA-N 1 0 363.885 4.444 10 0 FIAERO COc1cc(Br)cc(C[NH2+]Cc2ccc(C)cc2)c1OC ZINC000020933879 570927351 /nfs/dbraw/zinc/92/73/51/570927351.db2.gz XJMICQQFFLCTLT-UHFFFAOYSA-N 1 0 350.256 4.065 10 0 FIAERO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022936309 570954061 /nfs/dbraw/zinc/95/40/61/570954061.db2.gz VOEISFPDQSWYKH-FQEVSTJZSA-N 1 0 358.913 4.493 10 0 FIAERO CC[C@H](O)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840477 571148866 /nfs/dbraw/zinc/14/88/66/571148866.db2.gz WCQYEMOVOATYRT-QHCPKHFHSA-N 1 0 366.480 4.449 10 0 FIAERO Cc1ccc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1Br ZINC000675054737 571176011 /nfs/dbraw/zinc/17/60/11/571176011.db2.gz PCUSMUWXLWTXKK-DZGCQCFKSA-N 1 0 369.303 4.157 10 0 FIAERO Cc1ccc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1Br ZINC000675054744 571176004 /nfs/dbraw/zinc/17/60/04/571176004.db2.gz PCUSMUWXLWTXKK-ZFWWWQNUSA-N 1 0 369.303 4.157 10 0 FIAERO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000023129524 571218032 /nfs/dbraw/zinc/21/80/32/571218032.db2.gz RXLQEDLJPGKMFE-IBGZPJMESA-N 1 0 362.452 4.366 10 0 FIAERO Cn1ccnc1CC1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000156502702 1086704343 /nfs/dbraw/zinc/70/43/43/1086704343.db2.gz HNPREZZTTBQUQA-UHFFFAOYSA-N 1 0 354.498 4.204 10 0 FIAERO c1cncc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CC3CCCCC3)C4)n2)c1 ZINC000330138758 1089629466 /nfs/dbraw/zinc/62/94/66/1089629466.db2.gz OOUCCYZNTUKIMD-WIYYLYMNSA-N 1 0 352.482 4.065 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)ccc1OC(F)F ZINC000246562382 1099368034 /nfs/dbraw/zinc/36/80/34/1099368034.db2.gz XGYBCXNAZWGHSK-WRSAYESZSA-N 1 0 373.465 4.002 10 0 FIAERO COc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000076394137 1099414569 /nfs/dbraw/zinc/41/45/69/1099414569.db2.gz YTIAPGBMUZYGMH-RVKKMQEKSA-N 1 0 364.449 4.079 10 0 FIAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000249295878 1099419448 /nfs/dbraw/zinc/41/94/48/1099419448.db2.gz BWDRZDVQJUIGGY-XYPHTWIQSA-N 1 0 370.356 4.024 10 0 FIAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000176901876 1101480078 /nfs/dbraw/zinc/48/00/78/1101480078.db2.gz DJANZSZXKZUTKE-HNNXBMFYSA-N 1 0 361.536 4.296 10 0 FIAERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)cc1Cl ZINC000178054629 1101515313 /nfs/dbraw/zinc/51/53/13/1101515313.db2.gz LJIYLHROUGSQSW-MRXNPFEDSA-N 1 0 362.264 4.210 10 0 FIAERO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000180112854 1101564373 /nfs/dbraw/zinc/56/43/73/1101564373.db2.gz XQPBEFLKLPTDSI-UHFFFAOYSA-N 1 0 373.831 4.034 10 0 FIAERO COc1cc([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)ccc1SC ZINC000180398006 1101573238 /nfs/dbraw/zinc/57/32/38/1101573238.db2.gz LWGMZRFBWGUWNF-CZUORRHYSA-N 1 0 356.491 4.194 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2F)c2ccc(F)cc2C1 ZINC000184513973 1101657744 /nfs/dbraw/zinc/65/77/44/1101657744.db2.gz UCCUMNYJGUJMSX-BUXKBTBVSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000184509560 1101657776 /nfs/dbraw/zinc/65/77/76/1101657776.db2.gz SFOHDWCSSZPJGZ-OYHNWAKOSA-N 1 0 372.459 4.369 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2C)c2ccc(F)cc2C1 ZINC000184516802 1101659725 /nfs/dbraw/zinc/65/97/25/1101659725.db2.gz LGHPSXBYOPUXRW-AOMKIAJQSA-N 1 0 354.469 4.148 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(C)cc32)c2ccc(F)cc2C1 ZINC000184535583 1101660789 /nfs/dbraw/zinc/66/07/89/1101660789.db2.gz PQUWJEXZTSSXCI-VXKWHMMOSA-N 1 0 352.453 4.205 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)cc2)c2ccc(F)cc2C1 ZINC000185356114 1101697209 /nfs/dbraw/zinc/69/72/09/1101697209.db2.gz WIEGMDQAEGOPSI-JOCHJYFZSA-N 1 0 370.468 4.196 10 0 FIAERO CCOc1c(OC)cc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1OC ZINC000188948143 1101852674 /nfs/dbraw/zinc/85/26/74/1101852674.db2.gz QZVZETMYXRIGHS-KRWDZBQOSA-N 1 0 357.450 4.024 10 0 FIAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3nc4c(s3)CCCC4)CC2)n1 ZINC000091726106 1102410200 /nfs/dbraw/zinc/41/02/00/1102410200.db2.gz NYPCIBFZNSFFHO-HNNXBMFYSA-N 1 0 356.539 4.045 10 0 FIAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3nc4c(s3)CCCC4)CC2)n1 ZINC000091726107 1102410857 /nfs/dbraw/zinc/41/08/57/1102410857.db2.gz NYPCIBFZNSFFHO-OAHLLOKOSA-N 1 0 356.539 4.045 10 0 FIAERO CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116481823 1102555361 /nfs/dbraw/zinc/55/53/61/1102555361.db2.gz VNYZBGQLYUENEB-PXNSSMCTSA-N 1 0 366.509 4.066 10 0 FIAERO O=C1CC[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C2(CCC2)N1 ZINC000328765378 1104554186 /nfs/dbraw/zinc/55/41/86/1104554186.db2.gz PDPBYJJHISAAQQ-GJZGRUSLSA-N 1 0 353.388 4.109 10 0 FIAERO Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000328983198 1104611983 /nfs/dbraw/zinc/61/19/83/1104611983.db2.gz FMUOJWMZHSLKOE-PVAVHDDUSA-N 1 0 359.857 4.098 10 0 FIAERO CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000167976783 1106903116 /nfs/dbraw/zinc/90/31/16/1106903116.db2.gz YRJPRJZOVVFBQN-HZPDHXFCSA-N 1 0 358.461 4.268 10 0 FIAERO CCC(=O)N(c1ccccc1)[C@H]1CC[N@H+](CCc2cccs2)C[C@@H]1C ZINC000005458893 204209363 /nfs/dbraw/zinc/20/93/63/204209363.db2.gz SRARDYUHGVMEQI-PXNSSMCTSA-N 1 0 356.535 4.444 10 0 in-man FIAERO CCc1c(C)sc2c1CC[N@H+](CC(=O)NC(C)C)[C@@H]2c1ccccc1 ZINC000009527710 204373748 /nfs/dbraw/zinc/37/37/48/204373748.db2.gz LQGZTNRYLQKVJX-HXUWFJFHSA-N 1 0 356.535 4.091 10 0 FIAERO Clc1cccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)c1 ZINC000073685199 205033041 /nfs/dbraw/zinc/03/30/41/205033041.db2.gz KXEMMOWXIDBJBH-QGZVFWFLSA-N 1 0 365.868 4.023 10 0 FIAERO CC(C)c1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073685253 205033366 /nfs/dbraw/zinc/03/33/66/205033366.db2.gz ZHRXROGCNCEHHE-OAHLLOKOSA-N 1 0 364.415 4.450 10 0 FIAERO Clc1ccc2nc(-c3ccccc3)n(CCC[NH+]3CCOCC3)c2c1 ZINC000040406053 205069613 /nfs/dbraw/zinc/06/96/13/205069613.db2.gz CTCKYWLBQSNLBN-UHFFFAOYSA-N 1 0 355.869 4.079 10 0 FIAERO CC[C@H]([NH3+])[C@@H](Oc1cccc(I)c1)c1cccs1 ZINC000043111233 205100575 /nfs/dbraw/zinc/10/05/75/205100575.db2.gz CJPHTMDXFMJGIR-GXTWGEPZSA-N 1 0 373.259 4.210 10 0 FIAERO CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1C[C@@H]1C ZINC000052274027 205185657 /nfs/dbraw/zinc/18/56/57/205185657.db2.gz ZVPVQFXACFVKEL-QPUJVOFHSA-N 1 0 363.093 4.108 10 0 FIAERO COc1ccc2[nH]c(C[NH2+]Cc3cnc(-c4cccc(C)c4)nc3)cc2c1 ZINC000055108650 205207318 /nfs/dbraw/zinc/20/73/18/205207318.db2.gz DTQVVBKMSYYMTO-UHFFFAOYSA-N 1 0 358.445 4.232 10 0 FIAERO O=C(c1cc2c(s1)C[N@@H+](C1CCCC1)C2)N1CCc2ccccc2C1 ZINC000065239013 205327321 /nfs/dbraw/zinc/32/73/21/205327321.db2.gz DXMLGCBAIJXLHM-UHFFFAOYSA-N 1 0 352.503 4.205 10 0 FIAERO Fc1ccc(-c2cc([C@@H]3CC[N@H+](Cc4cncnc4)C3)ccn2)cc1Cl ZINC000065394421 205344731 /nfs/dbraw/zinc/34/47/31/205344731.db2.gz DRSIXPYKJLNVCS-QGZVFWFLSA-N 1 0 368.843 4.321 10 0 FIAERO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(CC[NH+]1CCCC1)C2 ZINC000067725369 205387941 /nfs/dbraw/zinc/38/79/41/205387941.db2.gz NJGPOONDTVCVPV-UHFFFAOYSA-N 1 0 372.896 4.003 10 0 FIAERO COc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1C[NH+]1CCCC1 ZINC000067740856 205388126 /nfs/dbraw/zinc/38/81/26/205388126.db2.gz IZCKADJUASCJHJ-UHFFFAOYSA-N 1 0 352.356 4.497 10 0 FIAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)Cc1csc(Br)c1 ZINC000043105893 206017777 /nfs/dbraw/zinc/01/77/77/206017777.db2.gz ICXFGZLWCIURLY-BXUZGUMPSA-N 1 0 359.358 4.483 10 0 FIAERO Cc1ccccc1[C@H](Oc1cccc(I)c1)[C@@H](C)[NH3+] ZINC000043040099 206018208 /nfs/dbraw/zinc/01/82/08/206018208.db2.gz DBOFBZSUKSGXRH-MLGOLLRUSA-N 1 0 367.230 4.067 10 0 FIAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1csc(Br)c1 ZINC000043105887 206018319 /nfs/dbraw/zinc/01/83/19/206018319.db2.gz ICXFGZLWCIURLY-FZMZJTMJSA-N 1 0 359.358 4.483 10 0 FIAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)s1)n1nc(C)c(Cl)c1C ZINC000050586105 206108154 /nfs/dbraw/zinc/10/81/54/206108154.db2.gz XPXWLXIMULATNB-ZANVPECISA-N 1 0 362.724 4.304 10 0 FIAERO CCCNc1cc(COc2ccc(I)cc2)ccn1 ZINC000103980050 206235333 /nfs/dbraw/zinc/23/53/33/206235333.db2.gz HPFMYQQAPFZXJU-UHFFFAOYSA-N 1 0 368.218 4.087 10 0 FIAERO C[NH2+]Cc1c(Sc2cccc(Br)c2)nc2sccn21 ZINC000104293387 206237196 /nfs/dbraw/zinc/23/71/96/206237196.db2.gz QVVHFKVLJHQEEK-UHFFFAOYSA-N 1 0 354.298 4.029 10 0 FIAERO c1c(-c2nc(Cc3ccccc3)no2)c2ccccc2n1C[NH+]1CCCC1 ZINC000215760262 206350699 /nfs/dbraw/zinc/35/06/99/206350699.db2.gz KZZLUOVTEYWZGH-UHFFFAOYSA-N 1 0 358.445 4.335 10 0 FIAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(F)c(Br)c1 ZINC000038009687 263399575 /nfs/dbraw/zinc/39/95/75/263399575.db2.gz PPBCTEZOPQKXKD-RISCZKNCSA-N 1 0 350.231 4.243 10 0 FIAERO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1Br ZINC000020926018 520365785 /nfs/dbraw/zinc/36/57/85/520365785.db2.gz KVUZRYKLHYOEMJ-KRWDZBQOSA-N 1 0 364.283 4.061 10 0 FIAERO COc1ccc(C[NH+](Cc2ccc(OC)cc2)C2CCC(O)CC2)cc1 ZINC000079439189 524014350 /nfs/dbraw/zinc/01/43/50/524014350.db2.gz DJGFPMDLJPTTTL-UHFFFAOYSA-N 1 0 355.478 4.010 10 0 FIAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000014932434 567914604 /nfs/dbraw/zinc/91/46/04/567914604.db2.gz DEQBUWPGWGXNGV-STQMWFEESA-N 1 0 362.857 4.035 10 0 FIAERO C[C@@H](c1ccc2ccccc2c1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106128504 568720867 /nfs/dbraw/zinc/72/08/67/568720867.db2.gz LEHIFIPEKQZWIK-IBGZPJMESA-N 1 0 362.521 4.194 10 0 FIAERO CCOc1cccc(C[NH2+]C(C)(C)CO)c1OCc1ccc(Cl)cc1 ZINC000013717422 570786392 /nfs/dbraw/zinc/78/63/92/570786392.db2.gz JOXVHXCVGRMCFI-UHFFFAOYSA-N 1 0 363.885 4.178 10 0 FIAERO CCOc1cccc(C[NH2+]CCCOC)c1OCc1ccccc1Cl ZINC000013722693 570786871 /nfs/dbraw/zinc/78/68/71/570786871.db2.gz XNBBDBKGTGHSOS-UHFFFAOYSA-N 1 0 363.885 4.444 10 0 FIAERO O=C1CCCN1CCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013727428 570787629 /nfs/dbraw/zinc/78/76/29/570787629.db2.gz FZOJCEOFVNFZEL-UHFFFAOYSA-N 1 0 372.896 4.021 10 0 FIAERO CCOCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1F ZINC000013729931 570788158 /nfs/dbraw/zinc/78/81/58/570788158.db2.gz BMRRRELUWWXWNU-UHFFFAOYSA-N 1 0 361.457 4.320 10 0 FIAERO CC[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000020581560 570920569 /nfs/dbraw/zinc/92/05/69/570920569.db2.gz RRICEEFFTWBCDU-XOBRGWDASA-N 1 0 366.461 4.207 10 0 FIAERO COc1c(Br)cc(C[NH2+]C(C)(C)C)cc1Br ZINC000020927085 570926596 /nfs/dbraw/zinc/92/65/96/570926596.db2.gz AROUWSSOTRMGPS-UHFFFAOYSA-N 1 0 351.082 4.108 10 0 FIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000022935852 570953968 /nfs/dbraw/zinc/95/39/68/570953968.db2.gz AEYJJSHIUQBPFL-NRFANRHFSA-N 1 0 368.521 4.157 10 0 FIAERO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000113883141 570961649 /nfs/dbraw/zinc/96/16/49/570961649.db2.gz VRWXWAWFVLQHBW-UYAOXDASSA-N 1 0 370.468 4.318 10 0 FIAERO Cc1cc([C@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1Br ZINC000675052538 571121101 /nfs/dbraw/zinc/12/11/01/571121101.db2.gz AXQXNLBCDVHLSX-DZGCQCFKSA-N 1 0 369.303 4.157 10 0 FIAERO CN1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628418 571325015 /nfs/dbraw/zinc/32/50/15/571325015.db2.gz HFFHCSNWRCFRMJ-PDGJWGCVSA-N 1 0 353.485 4.139 10 0 FIAERO CN1CC[C@@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 ZINC000328641176 571325763 /nfs/dbraw/zinc/32/57/63/571325763.db2.gz QKNNUHHZAUGORF-YJBOKZPZSA-N 1 0 367.390 4.022 10 0 FIAERO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c2ccccc21 ZINC000246706939 1085642880 /nfs/dbraw/zinc/64/28/80/1085642880.db2.gz XQUWQOPSYPDFEP-YAJHFMINSA-N 1 0 352.482 4.114 10 0 FIAERO Cc1c([C@H](C)N[C@@H](c2ccccc2)c2ccncc2)cnn1-c1ccccn1 ZINC000156249560 1086656472 /nfs/dbraw/zinc/65/64/72/1086656472.db2.gz UAJQUTWOWLYXJH-SBUREZEXSA-N 1 0 369.472 4.411 10 0 FIAERO CC(C)(C)c1ccc2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)[nH]c2c1 ZINC000329747406 1087254685 /nfs/dbraw/zinc/25/46/85/1087254685.db2.gz ZIWFRVDPXMGLEA-CRAIPNDOSA-N 1 0 366.465 4.051 10 0 FIAERO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000107245817 1090251328 /nfs/dbraw/zinc/25/13/28/1090251328.db2.gz XTNVOPHUSZBQQJ-DLBZAZTESA-N 1 0 367.320 4.184 10 0 FIAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(Cl)sc3Cl)n1)OC2 ZINC000329658650 1095060971 /nfs/dbraw/zinc/06/09/71/1095060971.db2.gz HHXOTFLZFUSMNF-YMTOWFKASA-N 1 0 360.266 4.031 10 0 FIAERO Cc1csc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000245671772 1098563671 /nfs/dbraw/zinc/56/36/71/1098563671.db2.gz ICKPMIYAYPIRCT-GUYCJALGSA-N 1 0 353.894 4.027 10 0 FIAERO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246710736 1099373260 /nfs/dbraw/zinc/37/32/60/1099373260.db2.gz FFSRNEVTKZKITI-RBUKOAKNSA-N 1 0 370.493 4.203 10 0 FIAERO Cc1ccc(Cl)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246975155 1099380163 /nfs/dbraw/zinc/38/01/63/1099380163.db2.gz KMNYOMJSKDLJER-CRAIPNDOSA-N 1 0 372.900 4.076 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000247136883 1099384404 /nfs/dbraw/zinc/38/44/04/1099384404.db2.gz AXABPDILWFPPKY-TXPKVOOTSA-N 1 0 366.534 4.253 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccccc2)c2ccc(F)cc2C1 ZINC000248702600 1099407384 /nfs/dbraw/zinc/40/73/84/1099407384.db2.gz GMFFPBXJOKHQRL-MCFFVMPBSA-N 1 0 354.469 4.401 10 0 FIAERO Cc1ccc(-c2nc(CC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)cs2)cc1 ZINC000178195960 1101518610 /nfs/dbraw/zinc/51/86/10/1101518610.db2.gz HMYXVPRDDVALOG-CQSZACIVSA-N 1 0 351.475 4.319 10 0 FIAERO C[C@@H]([NH3+])c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 ZINC000178215677 1101520423 /nfs/dbraw/zinc/52/04/23/1101520423.db2.gz DIOKVZOPKKZGTG-GFCCVEGCSA-N 1 0 371.387 4.211 10 0 FIAERO Cc1ccc(C)c([C@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc2)c1 ZINC000180121794 1101563234 /nfs/dbraw/zinc/56/32/34/1101563234.db2.gz XEKARGTYWUMYAG-JOCHJYFZSA-N 1 0 369.472 4.158 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CSC(C)(C)C)c2ccc(F)cc2C1 ZINC000184510542 1101656891 /nfs/dbraw/zinc/65/68/91/1101656891.db2.gz ZLUUZWJQDWYMIH-ACJLOTCBSA-N 1 0 352.519 4.129 10 0 FIAERO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(OC)cc1 ZINC000184524040 1101659087 /nfs/dbraw/zinc/65/90/87/1101659087.db2.gz LNHLAMOEBFGBOG-FCHUYYIVSA-N 1 0 370.468 4.369 10 0 FIAERO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(OC)cc1 ZINC000184524089 1101659671 /nfs/dbraw/zinc/65/96/71/1101659671.db2.gz LNHLAMOEBFGBOG-YADHBBJMSA-N 1 0 370.468 4.369 10 0 FIAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184528526 1101659835 /nfs/dbraw/zinc/65/98/35/1101659835.db2.gz VSMMWAUDNBRAAD-OYHNWAKOSA-N 1 0 370.468 4.369 10 0 FIAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184538935 1101660851 /nfs/dbraw/zinc/66/08/51/1101660851.db2.gz RFXCSCUFMXEGHZ-VFNWGFHPSA-N 1 0 370.468 4.287 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]CC[C@H](C)c2ccccc2)c2ccc(F)cc2C1 ZINC000186374679 1101767603 /nfs/dbraw/zinc/76/76/03/1101767603.db2.gz MJAFWHRZHCNUQE-KSFYIVLOSA-N 1 0 354.469 4.402 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]C[C@H](C)Cc2ccccc2)c2ccc(F)cc2C1 ZINC000187400169 1101806268 /nfs/dbraw/zinc/80/62/68/1101806268.db2.gz RMRQNTVVIOBYAX-ZHRRBRCNSA-N 1 0 354.469 4.087 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2sccc2Cl)c2ccc(F)cc2C1 ZINC000193212840 1101980057 /nfs/dbraw/zinc/98/00/57/1101980057.db2.gz TXTPEVYOZGTIQO-INIZCTEOSA-N 1 0 352.862 4.124 10 0 FIAERO Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000116474274 1102554956 /nfs/dbraw/zinc/55/49/56/1102554956.db2.gz VACDEVXCLQLOKR-ICSRJNTNSA-N 1 0 366.509 4.039 10 0 FIAERO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000195037492 1103078993 /nfs/dbraw/zinc/07/89/93/1103078993.db2.gz RQVCTLXCVSULES-UZLBHIALSA-N 1 0 366.534 4.376 10 0 FIAERO C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1nccs1 ZINC000245616205 1103269731 /nfs/dbraw/zinc/26/97/31/1103269731.db2.gz VHIWSKCNJBWSMX-GHJWDPDVSA-N 1 0 353.894 4.279 10 0 FIAERO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328740455 1104546987 /nfs/dbraw/zinc/54/69/87/1104546987.db2.gz NDUFSLKBBOXSRB-LJIZCISZSA-N 1 0 361.511 4.121 10 0 FIAERO Cc1c([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cnn1-c1ccccn1 ZINC000121828913 1107065215 /nfs/dbraw/zinc/06/52/15/1107065215.db2.gz LDTBTIGQDXKMPE-SJORKVTESA-N 1 0 372.476 4.173 10 0 FIAERO COc1ccccc1C1CC[NH+](C[C@H](O)CSc2cccs2)CC1 ZINC000002387815 204036922 /nfs/dbraw/zinc/03/69/22/204036922.db2.gz RIZNENMNVRGEFT-INIZCTEOSA-N 1 0 363.548 4.089 10 0 FIAERO CC[C@H](O)C[N@H+](CCOC)Cc1cccn1Cc1ccc(C(C)(C)C)cc1 ZINC000004716869 204158070 /nfs/dbraw/zinc/15/80/70/204158070.db2.gz RAVWXDRCQYLJAP-QFIPXVFZSA-N 1 0 372.553 4.053 10 0 FIAERO Clc1ccc(COc2ccccc2C[NH2+]CCCn2ccnc2)cc1 ZINC000010313980 204394562 /nfs/dbraw/zinc/39/45/62/204394562.db2.gz POVOHVJLIVQUQS-UHFFFAOYSA-N 1 0 355.869 4.295 10 0 FIAERO CCCCCC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013729544 204548415 /nfs/dbraw/zinc/54/84/15/204548415.db2.gz RREQMACHWCRBMJ-UHFFFAOYSA-N 1 0 351.454 4.125 10 0 FIAERO CC[NH2+][C@H](c1cc(Br)ccc1Br)[C@H]1CCCO1 ZINC000035541854 204995097 /nfs/dbraw/zinc/99/50/97/204995097.db2.gz XIWVSCJQRZXWIR-CHWSQXEVSA-N 1 0 363.093 4.041 10 0 FIAERO CN(Cc1cc(Br)cs1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042398338 205095442 /nfs/dbraw/zinc/09/54/42/205095442.db2.gz XRFJVLPQRAHXSA-SNVBAGLBSA-N 1 0 365.749 4.357 10 0 FIAERO CC[NH2+][C@H](c1sccc1C)c1ccccc1I ZINC000042729665 205096939 /nfs/dbraw/zinc/09/69/39/205096939.db2.gz IEUXRPSOAHAUGA-ZDUSSCGKSA-N 1 0 357.260 4.360 10 0 FIAERO CC[N@@H+]1CCC[C@](C(=O)Nc2ccc(OC)c(F)c2)(c2ccccc2)CC1 ZINC000065226058 205325970 /nfs/dbraw/zinc/32/59/70/205325970.db2.gz JRKHTVNWOWQXEB-JOCHJYFZSA-N 1 0 370.468 4.217 10 0 FIAERO COc1c2cc(Cl)ccc2sc1C(=O)NCC[NH+]1CCCCCC1 ZINC000064756678 205305044 /nfs/dbraw/zinc/30/50/44/205305044.db2.gz IJYKTBNTIJEKKJ-UHFFFAOYSA-N 1 0 366.914 4.169 10 0 FIAERO Cc1cccc([C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)c2cccs2)c1 ZINC000065493233 205355075 /nfs/dbraw/zinc/35/50/75/205355075.db2.gz PZGMZQCQFCINFG-HXUWFJFHSA-N 1 0 356.535 4.383 10 0 FIAERO Cc1ccc([C@@H](Oc2ccc(I)cc2)[C@@H](C)[NH3+])cc1 ZINC000042911509 206009953 /nfs/dbraw/zinc/00/99/53/206009953.db2.gz AIFNTVLSWZUIBK-WBMJQRKESA-N 1 0 367.230 4.067 10 0 FIAERO Cc1ccccc1[C@H](Oc1ccc(I)cc1)[C@H](C)[NH3+] ZINC000043040088 206016361 /nfs/dbraw/zinc/01/63/61/206016361.db2.gz AVGVEOHVXLSLEL-BLLLJJGKSA-N 1 0 367.230 4.067 10 0 FIAERO C[NH2+][C@H](Cc1ccc(C)c(C)c1)c1ccc(I)cc1 ZINC000104179742 206236038 /nfs/dbraw/zinc/23/60/38/206236038.db2.gz JAKPHPXOQSCWPE-QGZVFWFLSA-N 1 0 365.258 4.411 10 0 FIAERO CCCOc1c(Br)cc(C[NH2+]CCCOC(C)C)cc1OC ZINC000020933074 206344969 /nfs/dbraw/zinc/34/49/69/206344969.db2.gz IXXLJDQTEBJOSL-UHFFFAOYSA-N 1 0 374.319 4.151 10 0 FIAERO [NH3+]CC1CCN(c2cc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073684645 132377012 /nfs/dbraw/zinc/37/70/12/132377012.db2.gz VMWXCNGEHBHFMT-UHFFFAOYSA-N 1 0 362.452 4.125 10 0 FIAERO [NH3+]CC1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)CC1 ZINC000073684543 132377020 /nfs/dbraw/zinc/37/70/20/132377020.db2.gz PLBZIMLVHPGTOA-UHFFFAOYSA-N 1 0 362.452 4.125 10 0 FIAERO CC(C)(C)c1ccc(CC2([NH3+])CCN(c3ccnc4[nH]ccc43)CC2)cc1 ZINC000045386336 132951642 /nfs/dbraw/zinc/95/16/42/132951642.db2.gz IYMBRDFKFRDOFJ-UHFFFAOYSA-N 1 0 362.521 4.401 10 0 FIAERO COCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000013722393 570786891 /nfs/dbraw/zinc/78/68/91/570786891.db2.gz UGZSWWIPJZUTQC-UHFFFAOYSA-N 1 0 367.848 4.193 10 0 FIAERO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000022936754 570953947 /nfs/dbraw/zinc/95/39/47/570953947.db2.gz XSXWVPJZOYACFM-OAQYLSRUSA-N 1 0 368.521 4.157 10 0 FIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000035805127 571078719 /nfs/dbraw/zinc/07/87/19/571078719.db2.gz RVWRFKHZUPLERD-INIZCTEOSA-N 1 0 363.299 4.283 10 0 FIAERO CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)C[NH+]1CCCC1 ZINC000004214232 571147063 /nfs/dbraw/zinc/14/70/63/571147063.db2.gz XPSOFSIDLMRECY-AUSIDOKSSA-N 1 0 351.490 4.420 10 0 in-man FIAERO CCOC(=O)OCC[C@]1(c2cccc(OC(C)C)c2)CC[N@H+](C)C[C@H]1C ZINC000263616126 571166207 /nfs/dbraw/zinc/16/62/07/571166207.db2.gz HEWRWQQJNURDTK-DYESRHJHSA-N 1 0 363.498 4.246 10 0 FIAERO Cc1cc(Br)ccc1[C@H]1C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675054724 571175751 /nfs/dbraw/zinc/17/57/51/571175751.db2.gz PCKZAOLZTGTTTG-UKRRQHHQSA-N 1 0 369.303 4.157 10 0 FIAERO Cc1cc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)ccc1Br ZINC000675055429 571271256 /nfs/dbraw/zinc/27/12/56/571271256.db2.gz SHNDNEBZTWPRTH-HIFRSBDPSA-N 1 0 369.303 4.075 10 0 FIAERO CCc1nnc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3CC(C)C)s2)s1 ZINC000020778012 571331705 /nfs/dbraw/zinc/33/17/05/571331705.db2.gz VSBYSKGYALWIQC-LBPRGKRZSA-N 1 0 364.540 4.207 10 0 FIAERO Cc1coc(-c2cc(NC(=O)N3CCC([NH+]4CCCC4)CC3)ccc2C)n1 ZINC000154428055 1086381443 /nfs/dbraw/zinc/38/14/43/1086381443.db2.gz UIIOYRHDOHFXPT-UHFFFAOYSA-N 1 0 368.481 4.051 10 0 FIAERO Cc1csc(C2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)n1 ZINC000157828385 1086984985 /nfs/dbraw/zinc/98/49/85/1086984985.db2.gz GNFWNBATTVUAOI-UHFFFAOYSA-N 1 0 363.914 4.313 10 0 FIAERO c1ccc(C2CCC(c3nc([C@@H]4CN5CCC[C@@H]5CO4)no3)CC2)cc1 ZINC000329546701 1087022851 /nfs/dbraw/zinc/02/28/51/1087022851.db2.gz AWDGTWJJPKARCH-GMNCBBECSA-N 1 0 353.466 4.047 10 0 FIAERO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000247345401 1092712120 /nfs/dbraw/zinc/71/21/20/1092712120.db2.gz XTPJMWNFPGICHD-REWPJTCUSA-N 1 0 364.489 4.066 10 0 FIAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc4cc(Cl)ccc4o3)n1)OC2 ZINC000329565071 1094974576 /nfs/dbraw/zinc/97/45/76/1094974576.db2.gz HECGBIOWMSAMRS-YJBOKZPZSA-N 1 0 359.813 4.062 10 0 FIAERO CC(C)c1nc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000246398384 1099314600 /nfs/dbraw/zinc/31/46/00/1099314600.db2.gz LNIDUZZMJNVBGY-XYJFISCASA-N 1 0 358.555 4.223 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)ccc1F ZINC000246420940 1099343611 /nfs/dbraw/zinc/34/36/11/1099343611.db2.gz NFWXYFJYMDMTQC-GHJWDPDVSA-N 1 0 374.319 4.294 10 0 FIAERO COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H](c4nccs4)C3)n2)cc1 ZINC000246618981 1099371916 /nfs/dbraw/zinc/37/19/16/1099371916.db2.gz JVIWKCBGKQNBTD-DZGCQCFKSA-N 1 0 370.478 4.142 10 0 FIAERO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246710741 1099373236 /nfs/dbraw/zinc/37/32/36/1099373236.db2.gz FFSRNEVTKZKITI-RTBURBONSA-N 1 0 370.493 4.203 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc(OC)c1OC ZINC000246917467 1099378598 /nfs/dbraw/zinc/37/85/98/1099378598.db2.gz GDVXPXNNMWFZOP-KLHJMIIUSA-N 1 0 371.477 4.283 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000247920389 1099394564 /nfs/dbraw/zinc/39/45/64/1099394564.db2.gz BCOUIUQHGDRLRI-CKFHNAJUSA-N 1 0 363.427 4.060 10 0 FIAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(COC4CCCC4)cc3)CC[C@H]21 ZINC000247957160 1099394812 /nfs/dbraw/zinc/39/48/12/1099394812.db2.gz FSAKBNZGRDMUBO-GHTZIAJQSA-N 1 0 371.525 4.094 10 0 FIAERO C[N@@H+]1CCC[C@H](CN[C@@H](c2cccs2)c2ncc[nH]2)[C@H]1c1cccs1 ZINC000253355630 1099560243 /nfs/dbraw/zinc/56/02/43/1099560243.db2.gz UIHAVTCEFXBFTA-JLSDUUJJSA-N 1 0 372.563 4.295 10 0 FIAERO C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175052357 1101410931 /nfs/dbraw/zinc/41/09/31/1101410931.db2.gz LPFXGZVRVNQFBI-INIZCTEOSA-N 1 0 361.530 4.148 10 0 FIAERO Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2c1 ZINC000176742494 1101466695 /nfs/dbraw/zinc/46/66/95/1101466695.db2.gz WIAHWNXLNHISKK-UHFFFAOYSA-N 1 0 363.505 4.121 10 0 FIAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2c(ccc3ccccc23)o1 ZINC000181503922 1101592657 /nfs/dbraw/zinc/59/26/57/1101592657.db2.gz NZDYDYIRUKZXIT-HNNXBMFYSA-N 1 0 369.428 4.413 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)c2ccc(F)cc2C1 ZINC000184513896 1101657303 /nfs/dbraw/zinc/65/73/03/1101657303.db2.gz LQAUTZORYKPLKC-BTYIYWSLSA-N 1 0 369.484 4.036 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184516210 1101657445 /nfs/dbraw/zinc/65/74/45/1101657445.db2.gz FWELEAPOIDXCPU-INXVGGANSA-N 1 0 352.453 4.155 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)c2ccc(F)cc2C1 ZINC000185365211 1101696714 /nfs/dbraw/zinc/69/67/14/1101696714.db2.gz ZJGSPRZOBUWMDV-IBGZPJMESA-N 1 0 364.823 4.201 10 0 FIAERO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc(F)c1 ZINC000188473391 1101830778 /nfs/dbraw/zinc/83/07/78/1101830778.db2.gz WZJNKZMQEYZJFQ-LEWJYISDSA-N 1 0 358.432 4.499 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2sccc2Cl)c2ccc(F)cc2C1 ZINC000193212851 1101980676 /nfs/dbraw/zinc/98/06/76/1101980676.db2.gz TXTPEVYOZGTIQO-MRXNPFEDSA-N 1 0 352.862 4.124 10 0 FIAERO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000092011273 1102451889 /nfs/dbraw/zinc/45/18/89/1102451889.db2.gz NMEHKSPGWOUPEK-YLJYHZDGSA-N 1 0 367.518 4.094 10 0 FIAERO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000103473052 1102464722 /nfs/dbraw/zinc/46/47/22/1102464722.db2.gz NRWCIXQRLNQVLH-AWEZNQCLSA-N 1 0 361.536 4.073 10 0 FIAERO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328729190 1104558350 /nfs/dbraw/zinc/55/83/50/1104558350.db2.gz HGCSQZAZCOBPHQ-OWYFMNJBSA-N 1 0 361.511 4.121 10 0 FIAERO CC(C)c1nc2n(n1)CCC[C@H]2N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000167977004 1106902282 /nfs/dbraw/zinc/90/22/82/1106902282.db2.gz YRJPRJZOVVFBQN-CVEARBPZSA-N 1 0 358.461 4.268 10 0 FIAERO c1ccc(C(Cc2noc(CC[NH+]3CCCCC3)n2)c2ccccc2)cc1 ZINC000000538227 219304897 /nfs/dbraw/zinc/30/48/97/219304897.db2.gz PXZDWASDNFWKSD-UHFFFAOYSA-N 1 0 361.489 4.473 10 0 in-man FIAERO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[NH2+][C@H]2N3)cc1 ZINC000000585991 219304996 /nfs/dbraw/zinc/30/49/96/219304996.db2.gz ZIGIADNCAWZUAB-FPOVZHCZSA-N 1 0 351.450 4.424 10 0 FIAERO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000010314053 204394680 /nfs/dbraw/zinc/39/46/80/204394680.db2.gz BEXAORLTMAZMRT-UHFFFAOYSA-N 1 0 373.859 4.435 10 0 FIAERO Clc1cccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccccn3)n2)c1 ZINC000073662952 205032037 /nfs/dbraw/zinc/03/20/37/205032037.db2.gz FVHOJWOPGWTNSF-UHFFFAOYSA-N 1 0 365.868 4.023 10 0 FIAERO Cc1cc(C)cc(Oc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)c1 ZINC000040681414 205076280 /nfs/dbraw/zinc/07/62/80/205076280.db2.gz PNIRFHIEZOHXEQ-UHFFFAOYSA-N 1 0 369.513 4.189 10 0 FIAERO [NH3+]C[C@H](Oc1ccc(Br)cc1)c1cccc(Br)c1 ZINC000043022537 205099500 /nfs/dbraw/zinc/09/95/00/205099500.db2.gz CLHUYPGODWXSDT-AWEZNQCLSA-N 1 0 371.072 4.290 10 0 FIAERO CC[C@H]([NH3+])[C@H](Oc1ccc(I)cc1)c1cccs1 ZINC000043111188 205101596 /nfs/dbraw/zinc/10/15/96/205101596.db2.gz RJQRIXAJRICOCC-JSGCOSHPSA-N 1 0 373.259 4.210 10 0 FIAERO CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(C[NH2+]C4CC4)cc3)[nH]n2)c1 ZINC000066075034 205363279 /nfs/dbraw/zinc/36/32/79/205363279.db2.gz XCCKQXYDJJDHMQ-UHFFFAOYSA-N 1 0 374.488 4.134 10 0 FIAERO C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccc(Cl)cc1 ZINC000067841739 205395875 /nfs/dbraw/zinc/39/58/75/205395875.db2.gz RQKXJJHPOUHAQF-AWEZNQCLSA-N 1 0 355.869 4.021 10 0 FIAERO CC[NH2+][C@@H](Cc1cccc(C)c1)c1ccc(I)cc1 ZINC000104173458 206235494 /nfs/dbraw/zinc/23/54/94/206235494.db2.gz VDVHHUMFYGWCNY-KRWDZBQOSA-N 1 0 365.258 4.493 10 0 FIAERO CC[NH2+][C@H](Cc1cccc(C)c1)c1ccc(I)cc1 ZINC000104173461 206235707 /nfs/dbraw/zinc/23/57/07/206235707.db2.gz VDVHHUMFYGWCNY-QGZVFWFLSA-N 1 0 365.258 4.493 10 0 FIAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1ccc(I)cc1 ZINC000104175765 206236345 /nfs/dbraw/zinc/23/63/45/206236345.db2.gz LWNNLCBAWNUNBZ-MRXNPFEDSA-N 1 0 369.221 4.324 10 0 FIAERO [NH3+][C@@H](c1ccc2c(c1)CCCC2)c1ccccc1I ZINC000019970589 206329088 /nfs/dbraw/zinc/32/90/88/206329088.db2.gz ZTAPHOLTEBZGOY-KRWDZBQOSA-N 1 0 363.242 4.218 10 0 FIAERO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Br ZINC000020926012 520365732 /nfs/dbraw/zinc/36/57/32/520365732.db2.gz KVUZRYKLHYOEMJ-QGZVFWFLSA-N 1 0 364.283 4.061 10 0 FIAERO CCOc1c(C[NH2+]CCc2ccccc2)cc(Br)cc1OC ZINC000020476677 520592917 /nfs/dbraw/zinc/59/29/17/520592917.db2.gz ZTQOTTSXHJUKRJ-UHFFFAOYSA-N 1 0 364.283 4.189 10 0 FIAERO CCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684384 523821674 /nfs/dbraw/zinc/82/16/74/523821674.db2.gz ZRPHXOOVFXZYIK-UHFFFAOYSA-N 1 0 364.415 4.136 10 0 FIAERO O=C(CN1CCCC[C@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000087493302 526743411 /nfs/dbraw/zinc/74/34/11/526743411.db2.gz IXGUCMUPPFLSGJ-HNNXBMFYSA-N 1 0 355.309 4.126 10 0 FIAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000228489956 568081997 /nfs/dbraw/zinc/08/19/97/568081997.db2.gz CFQFVFWKKNGPAM-XOKHGSTOSA-N 1 0 356.279 4.104 10 0 FIAERO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH2+]Cc1[nH]nc2c1CCC2 ZINC000011933955 570602488 /nfs/dbraw/zinc/60/24/88/570602488.db2.gz NFDLGFORQDVLRF-UHFFFAOYSA-N 1 0 369.472 4.245 10 0 FIAERO COc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccc(F)cc1 ZINC000013721658 570786763 /nfs/dbraw/zinc/78/67/63/570786763.db2.gz PJRPTJOBAXZZHU-UHFFFAOYSA-N 1 0 361.457 4.318 10 0 FIAERO CCOC1(c2nc([C@H]3CCCO3)no2)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000583615896 570809317 /nfs/dbraw/zinc/80/93/17/570809317.db2.gz KHVLKHAUKQEHPA-SJLPKXTDSA-N 1 0 371.481 4.010 10 0 FIAERO CCOC1(c2nc([C@H]3CCCO3)no2)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000583615895 570809361 /nfs/dbraw/zinc/80/93/61/570809361.db2.gz KHVLKHAUKQEHPA-FUHWJXTLSA-N 1 0 371.481 4.010 10 0 FIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000022935849 570953756 /nfs/dbraw/zinc/95/37/56/570953756.db2.gz AEYJJSHIUQBPFL-OAQYLSRUSA-N 1 0 368.521 4.157 10 0 FIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000022935853 570954021 /nfs/dbraw/zinc/95/40/21/570954021.db2.gz NFQBJNUWWTYQPV-OAQYLSRUSA-N 1 0 368.521 4.157 10 0 FIAERO CN1CC[C@@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628419 571325012 /nfs/dbraw/zinc/32/50/12/571325012.db2.gz HFFHCSNWRCFRMJ-QESAQDPVSA-N 1 0 353.485 4.139 10 0 FIAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(F)c(Cl)cc3Cl)n1)OC2 ZINC000329616190 1095004626 /nfs/dbraw/zinc/00/46/26/1095004626.db2.gz SJLQSULEJQZNES-CZUORRHYSA-N 1 0 372.227 4.108 10 0 FIAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(Cl)sc3Cl)n1)OC2 ZINC000329658646 1095060664 /nfs/dbraw/zinc/06/06/64/1095060664.db2.gz HHXOTFLZFUSMNF-LKFCYVNXSA-N 1 0 360.266 4.031 10 0 FIAERO c1ccc([C@H]2C[C@H]2[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000329812586 1095274637 /nfs/dbraw/zinc/27/46/37/1095274637.db2.gz NCHPQTKWUOHASI-GLHSZLCASA-N 1 0 372.472 4.041 10 0 FIAERO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(N2CCOC2=O)c1 ZINC000247007444 1099379635 /nfs/dbraw/zinc/37/96/35/1099379635.db2.gz LZBFRQLPEYEVSO-ZLGUVYLKSA-N 1 0 366.461 4.214 10 0 FIAERO COc1ccc(-c2nc(C)c([C@H](C)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)s2)cc1 ZINC000247070399 1099383605 /nfs/dbraw/zinc/38/36/05/1099383605.db2.gz OGDFCYGMSIJMHW-QGTPRVQTSA-N 1 0 371.550 4.405 10 0 FIAERO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247974710 1099397000 /nfs/dbraw/zinc/39/70/00/1099397000.db2.gz HQCBDMNPSFGBJW-GHTZIAJQSA-N 1 0 371.569 4.288 10 0 FIAERO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247974713 1099397257 /nfs/dbraw/zinc/39/72/57/1099397257.db2.gz HQCBDMNPSFGBJW-RXVVDRJESA-N 1 0 371.569 4.288 10 0 FIAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC[C@H]21 ZINC000248216794 1099398596 /nfs/dbraw/zinc/39/85/96/1099398596.db2.gz ZTNXYLYVCDUKQM-NVXWUHKLSA-N 1 0 369.431 4.130 10 0 FIAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(-c2ccccc2)cc1 ZINC000178054374 1101514448 /nfs/dbraw/zinc/51/44/48/1101514448.db2.gz ZBRRRCTZEVBBJT-KRWDZBQOSA-N 1 0 355.445 4.180 10 0 FIAERO C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(OCC[NH+](C)C)c1 ZINC000179809164 1101565511 /nfs/dbraw/zinc/56/55/11/1101565511.db2.gz IMHIOWMZTYBYCU-MRXNPFEDSA-N 1 0 367.493 4.075 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)nc2)c2ccc(F)cc2C1 ZINC000184516545 1101659316 /nfs/dbraw/zinc/65/93/16/1101659316.db2.gz YWZWNAYMYLJRHO-XIKOKIGWSA-N 1 0 361.848 4.018 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2F)c2ccc(F)cc2C1 ZINC000184524204 1101659439 /nfs/dbraw/zinc/65/94/39/1101659439.db2.gz LBTKXONIOPIHTA-FKIZINRSSA-N 1 0 362.395 4.248 10 0 FIAERO FC(F)(F)c1ccn(C2CC[NH+](CCC(Cl)(Cl)Cl)CC2)n1 ZINC000185385063 1101695956 /nfs/dbraw/zinc/69/59/56/1101695956.db2.gz RHCILBPLZVDMDN-UHFFFAOYSA-N 1 0 364.626 4.299 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)Cc2ccccc2)c2ccc(F)cc2C1 ZINC000187400114 1101806195 /nfs/dbraw/zinc/80/61/95/1101806195.db2.gz RMRQNTVVIOBYAX-KSFYIVLOSA-N 1 0 354.469 4.087 10 0 FIAERO COCCC1(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)CCCCC1 ZINC000189779913 1101898511 /nfs/dbraw/zinc/89/85/11/1101898511.db2.gz NEQSAWWIRLRAAG-HXUWFJFHSA-N 1 0 369.509 4.464 10 0 FIAERO c1csc([C@H]2CCC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)n1 ZINC000092788933 1102532848 /nfs/dbraw/zinc/53/28/48/1102532848.db2.gz HNZFJBGNFULTKF-INIZCTEOSA-N 1 0 352.463 4.105 10 0 FIAERO Cc1cc(Cl)ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116474691 1102555185 /nfs/dbraw/zinc/55/51/85/1102555185.db2.gz YDXPNPSNAOGCFC-KXBFYZLASA-N 1 0 372.900 4.076 10 0 FIAERO O=C(c1occc1CSc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000121082832 1102598876 /nfs/dbraw/zinc/59/88/76/1102598876.db2.gz RKRWTLMYWZXMKN-UHFFFAOYSA-N 1 0 370.518 4.272 10 0 FIAERO Cc1cc(-c2noc([C@H](C)Nc3ccc4c(c3)C[N@@H+](C)C4)n2)ccc1F ZINC000194509808 1103070701 /nfs/dbraw/zinc/07/07/01/1103070701.db2.gz SOPAANARJNUTRO-ZDUSSCGKSA-N 1 0 352.413 4.303 10 0 FIAERO Clc1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c2c(c1)COCO2 ZINC000195354074 1103084415 /nfs/dbraw/zinc/08/44/15/1103084415.db2.gz BHRLFPHHIGEKEH-LBPRGKRZSA-N 1 0 350.871 4.043 10 0 FIAERO Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245562950 1103215920 /nfs/dbraw/zinc/21/59/20/1103215920.db2.gz MOFMVNAOMGVVNG-OALUTQOASA-N 1 0 365.525 4.019 10 0 FIAERO O=C1CC[C@@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C2(CCC2)N1 ZINC000328765379 1104553477 /nfs/dbraw/zinc/55/34/77/1104553477.db2.gz PDPBYJJHISAAQQ-HUUCEWRRSA-N 1 0 353.388 4.109 10 0 FIAERO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000328775436 1104556488 /nfs/dbraw/zinc/55/64/88/1104556488.db2.gz SJUXMKRQAWGWFD-YJBOKZPZSA-N 1 0 372.513 4.253 10 0 FIAERO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328729188 1104557950 /nfs/dbraw/zinc/55/79/50/1104557950.db2.gz HGCSQZAZCOBPHQ-CWVYHPPDSA-N 1 0 361.511 4.121 10 0 FIAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463187969 1118017040 /nfs/dbraw/zinc/01/70/40/1118017040.db2.gz ABLCVNLFPWZVAM-QTEQDKRBSA-N 1 0 352.522 4.234 10 0 FIAERO Cc1cc(-c2nccs2)nc(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000019118681 204668237 /nfs/dbraw/zinc/66/82/37/204668237.db2.gz UVXFXLJNSOLENK-UHFFFAOYSA-N 1 0 356.520 4.350 10 0 FIAERO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036031164 205002045 /nfs/dbraw/zinc/00/20/45/205002045.db2.gz GLWIMVIQKONRIU-HXUWFJFHSA-N 1 0 371.477 4.329 10 0 FIAERO [NH3+][C@H]1CCN(c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)C1 ZINC000073684005 205033455 /nfs/dbraw/zinc/03/34/55/205033455.db2.gz CMNBCWLJEVYFLP-KRWDZBQOSA-N 1 0 350.853 4.001 10 0 FIAERO Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000073684941 205033516 /nfs/dbraw/zinc/03/35/16/205033516.db2.gz DEFCFYNPWAIPRQ-CQSZACIVSA-N 1 0 364.415 4.191 10 0 FIAERO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000039468210 205045616 /nfs/dbraw/zinc/04/56/16/205045616.db2.gz BCWBGAUTERWIJP-OAHLLOKOSA-N 1 0 355.445 4.246 10 0 FIAERO CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1nc(CC(C)C)cc(=O)[nH]1 ZINC000048170763 205152994 /nfs/dbraw/zinc/15/29/94/205152994.db2.gz SUAHNMOYKFIAOT-LJQANCHMSA-N 1 0 353.510 4.400 10 0 FIAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)s1)c1ccc(Br)cc1 ZINC000042959666 206013302 /nfs/dbraw/zinc/01/33/02/206013302.db2.gz FCFKVFOWUDHHID-RYUDHWBXSA-N 1 0 358.330 4.180 10 0 FIAERO CC[C@H]([NH3+])[C@H](Sc1nnc(C)s1)c1cccc(Br)c1 ZINC000043025084 206015349 /nfs/dbraw/zinc/01/53/49/206015349.db2.gz FFMRYFZKDFOJIC-NWDGAFQWSA-N 1 0 358.330 4.180 10 0 FIAERO Cc1ccccc1[C@@H](Oc1ccc(I)cc1)[C@H](C)[NH3+] ZINC000043040091 206017225 /nfs/dbraw/zinc/01/72/25/206017225.db2.gz AVGVEOHVXLSLEL-LRDDRELGSA-N 1 0 367.230 4.067 10 0 FIAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1cc(Br)cs1 ZINC000043105981 206018009 /nfs/dbraw/zinc/01/80/09/206018009.db2.gz MDAMURNGWXGFEY-JSGCOSHPSA-N 1 0 359.358 4.483 10 0 FIAERO CC[C@H]([NH3+])Cc1ccc(Br)cc1Sc1nnc(C)s1 ZINC000104301023 206237164 /nfs/dbraw/zinc/23/71/64/206237164.db2.gz PVDGJDGASHPMGT-NSHDSACASA-N 1 0 358.330 4.040 10 0 FIAERO CCOc1ccc([C@@H]([NH3+])c2ccccc2Br)cc1OCC ZINC000019967802 206327948 /nfs/dbraw/zinc/32/79/48/206327948.db2.gz LWILOPLQNHWGDE-QGZVFWFLSA-N 1 0 350.256 4.295 10 0 FIAERO CCOc1ccc([C@H]([NH3+])c2cccc(Br)c2)cc1OCC ZINC000019967835 206329246 /nfs/dbraw/zinc/32/92/46/206329246.db2.gz SJJFCEKDHUETIA-QGZVFWFLSA-N 1 0 350.256 4.295 10 0 FIAERO [NH3+][C@@H](c1cccc(I)c1)c1ccc2c(c1)CCCC2 ZINC000020480661 206333189 /nfs/dbraw/zinc/33/31/89/206333189.db2.gz MIJUGWTZGGUUNH-KRWDZBQOSA-N 1 0 363.242 4.218 10 0 FIAERO CC[NH+](CC)CCNC(=O)c1c2ccccc2n(-c2ccccc2)c1Cl ZINC000211834942 206340366 /nfs/dbraw/zinc/34/03/66/206340366.db2.gz JXMPOIJOLAZMER-UHFFFAOYSA-N 1 0 369.896 4.356 10 0 FIAERO CCC[NH2+][C@@H](Cc1ccc(Br)s1)Cc1nc(C)cs1 ZINC000055269442 206362260 /nfs/dbraw/zinc/36/22/60/206362260.db2.gz YLWSOKVYKDCRRT-NSHDSACASA-N 1 0 359.358 4.429 10 0 FIAERO CCOc1cc(C[NH2+]CCOC)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874919 520714335 /nfs/dbraw/zinc/71/43/35/520714335.db2.gz NEXVJJUWDAGVLR-UHFFFAOYSA-N 1 0 363.885 4.362 10 0 FIAERO CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccc(C)cc1 ZINC000020874316 520721953 /nfs/dbraw/zinc/72/19/53/520721953.db2.gz XHIBXWVEUJROLD-HXUWFJFHSA-N 1 0 355.478 4.241 10 0 FIAERO Fc1cccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)c1 ZINC000073684767 526381285 /nfs/dbraw/zinc/38/12/85/526381285.db2.gz FUGYJMYPCDTRKO-INIZCTEOSA-N 1 0 362.452 4.361 10 0 FIAERO CCOc1cc(C[NH2+]CCCOC(C)C)cc(Br)c1OCC ZINC000013721845 570786823 /nfs/dbraw/zinc/78/68/23/570786823.db2.gz OUFZOIINGBFXLK-UHFFFAOYSA-N 1 0 374.319 4.151 10 0 FIAERO CCC(C)(C)[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013725214 570787702 /nfs/dbraw/zinc/78/77/02/570787702.db2.gz MFNLXPDKGMSRHF-UHFFFAOYSA-N 1 0 370.493 4.299 10 0 FIAERO COc1cc(Br)cc(C[NH2+][C@H](C)c2ccccc2)c1OC ZINC000020933651 570927278 /nfs/dbraw/zinc/92/72/78/570927278.db2.gz DYYNGCCBCHYQCH-GFCCVEGCSA-N 1 0 350.256 4.317 10 0 FIAERO CC[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000020581552 570920367 /nfs/dbraw/zinc/92/03/67/570920367.db2.gz RRICEEFFTWBCDU-VBKZILBWSA-N 1 0 366.461 4.207 10 0 FIAERO CCCOc1c(Br)cc(C[NH2+]CC)cc1Br ZINC000020926793 570926663 /nfs/dbraw/zinc/92/66/63/570926663.db2.gz HOFNAMSXKPIDSZ-UHFFFAOYSA-N 1 0 351.082 4.110 10 0 FIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000022935854 570953697 /nfs/dbraw/zinc/95/36/97/570953697.db2.gz NFQBJNUWWTYQPV-NRFANRHFSA-N 1 0 368.521 4.157 10 0 FIAERO CCc1nc(C)c(C[N@@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)[nH]1 ZINC000067955288 571152405 /nfs/dbraw/zinc/15/24/05/571152405.db2.gz HCZZAZPBOBCWAC-GOSISDBHSA-N 1 0 362.477 4.038 10 0 FIAERO Cc1sc2cc(C(=O)NCc3ccco3)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487454 571188993 /nfs/dbraw/zinc/18/89/93/571188993.db2.gz CHDVOOPIOIQFSL-UHFFFAOYSA-N 1 0 357.479 4.047 10 0 FIAERO Cc1oc(C(C)C)cc1C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000286871389 1081070815 /nfs/dbraw/zinc/07/08/15/1081070815.db2.gz VVNRYVUXSCPVNO-INIZCTEOSA-N 1 0 355.482 4.182 10 0 FIAERO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c2ccccc21 ZINC000246706950 1085642813 /nfs/dbraw/zinc/64/28/13/1085642813.db2.gz XQUWQOPSYPDFEP-YKCBXCCJSA-N 1 0 352.482 4.114 10 0 FIAERO O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000107245811 1090250979 /nfs/dbraw/zinc/25/09/79/1090250979.db2.gz XTNVOPHUSZBQQJ-IRXDYDNUSA-N 1 0 367.320 4.184 10 0 FIAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3cnc4ccsc4c3)CC2)nc1 ZINC000163518536 1091875743 /nfs/dbraw/zinc/87/57/43/1091875743.db2.gz XUEGDHSVNLFBJY-OAHLLOKOSA-N 1 0 352.507 4.319 10 0 FIAERO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000246500239 1099365479 /nfs/dbraw/zinc/36/54/79/1099365479.db2.gz SNNIJHSGRLLUMQ-LXIYXOSZSA-N 1 0 371.930 4.063 10 0 FIAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000246591146 1099369841 /nfs/dbraw/zinc/36/98/41/1099369841.db2.gz ZIJHVEJSKPJCGR-GUDVDZBRSA-N 1 0 367.537 4.397 10 0 FIAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000246597949 1099370473 /nfs/dbraw/zinc/37/04/73/1099370473.db2.gz ZZAGREPCJBFHTM-DEYYWGMASA-N 1 0 357.466 4.302 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)ccc1SC(F)F ZINC000246920770 1099379288 /nfs/dbraw/zinc/37/92/88/1099379288.db2.gz GBUXLTPZHFKIEC-BKGUAONASA-N 1 0 365.445 4.319 10 0 FIAERO Cc1ccc(Cl)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246975177 1099379798 /nfs/dbraw/zinc/37/97/98/1099379798.db2.gz KMNYOMJSKDLJER-QAPCUYQASA-N 1 0 372.900 4.076 10 0 FIAERO Cc1c(Cl)cccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247040773 1099381948 /nfs/dbraw/zinc/38/19/48/1099381948.db2.gz NXHGINSDJXOKFI-RDTXWAMCSA-N 1 0 372.900 4.076 10 0 FIAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC[C@H]21 ZINC000248216792 1099398101 /nfs/dbraw/zinc/39/81/01/1099398101.db2.gz ZTNXYLYVCDUKQM-DOTOQJQBSA-N 1 0 369.431 4.130 10 0 FIAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000173990688 1101386813 /nfs/dbraw/zinc/38/68/13/1101386813.db2.gz QJHNQMRXOARULT-GJZGRUSLSA-N 1 0 363.461 4.056 10 0 FIAERO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000174919023 1101406452 /nfs/dbraw/zinc/40/64/52/1101406452.db2.gz YTYJKFSVIOIGPE-UHFFFAOYSA-N 1 0 355.404 4.106 10 0 FIAERO C[C@@H]([NH3+])c1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 ZINC000178185316 1101519200 /nfs/dbraw/zinc/51/92/00/1101519200.db2.gz JYWSQVPOPUBIBB-GFCCVEGCSA-N 1 0 355.438 4.150 10 0 FIAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2c(ccc3ccccc23)o1 ZINC000181503942 1101593263 /nfs/dbraw/zinc/59/32/63/1101593263.db2.gz NZDYDYIRUKZXIT-OAHLLOKOSA-N 1 0 369.428 4.413 10 0 FIAERO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(F)c1 ZINC000184518855 1101659795 /nfs/dbraw/zinc/65/97/95/1101659795.db2.gz GQNLBCNWAATJLM-ZSEKCTLFSA-N 1 0 374.431 4.118 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184538582 1101660539 /nfs/dbraw/zinc/66/05/39/1101660539.db2.gz MOTCLQOHZLUOFV-ODXCJYRJSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)c2ccc(F)cc2C1 ZINC000184535562 1101661809 /nfs/dbraw/zinc/66/18/09/1101661809.db2.gz PQUWJEXZTSSXCI-YADHBBJMSA-N 1 0 352.453 4.205 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2C)c2ccc(F)cc2C1 ZINC000185365910 1101696112 /nfs/dbraw/zinc/69/61/12/1101696112.db2.gz KBQHWGWTVCMFTR-QFIPXVFZSA-N 1 0 354.469 4.334 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2Cl)c2ccc(F)cc2C1 ZINC000185365305 1101696659 /nfs/dbraw/zinc/69/66/59/1101696659.db2.gz JNLLTLTWKBEZHX-IBGZPJMESA-N 1 0 364.823 4.201 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)c2ccc(F)cc2C1 ZINC000186374730 1101767002 /nfs/dbraw/zinc/76/70/02/1101767002.db2.gz MJAFWHRZHCNUQE-ZHRRBRCNSA-N 1 0 354.469 4.402 10 0 FIAERO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc(F)c1 ZINC000188473414 1101830564 /nfs/dbraw/zinc/83/05/64/1101830564.db2.gz WZJNKZMQEYZJFQ-NHCUHLMSSA-N 1 0 358.432 4.499 10 0 FIAERO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)s1 ZINC000092767388 1102527655 /nfs/dbraw/zinc/52/76/55/1102527655.db2.gz UMVANDBFAYMGRB-CYBMUJFWSA-N 1 0 365.568 4.022 10 0 FIAERO CCc1onc(C)c1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245644745 1103301363 /nfs/dbraw/zinc/30/13/63/1103301363.db2.gz YUMAHUANZSFDFQ-YJBOKZPZSA-N 1 0 370.497 4.062 10 0 FIAERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000168433515 1109358949 /nfs/dbraw/zinc/35/89/49/1109358949.db2.gz UNKOUOLFKXVPDZ-HNNXBMFYSA-N 1 0 371.506 4.024 10 0 FIAERO CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)C[NH+]1CCCC1 ZINC000002037163 203918298 /nfs/dbraw/zinc/91/82/98/203918298.db2.gz XPSOFSIDLMRECY-WMZHIEFXSA-N 1 0 351.490 4.420 10 0 in-man FIAERO CCC(=O)N(c1ccccc1)[C@H]1CC[N@H+](CCc2cccs2)C[C@H]1C ZINC000001850127 204021511 /nfs/dbraw/zinc/02/15/11/204021511.db2.gz SRARDYUHGVMEQI-XLIONFOSSA-N 1 0 356.535 4.444 10 0 in-man FIAERO Clc1ccccc1COc1ccccc1C[NH2+]CCCn1ccnc1 ZINC000010313981 204393938 /nfs/dbraw/zinc/39/39/38/204393938.db2.gz JINRHFOZNJNQLY-UHFFFAOYSA-N 1 0 355.869 4.295 10 0 FIAERO C[C@@H](O)C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315548 204394892 /nfs/dbraw/zinc/39/48/92/204394892.db2.gz IUTOFACITAIQMQ-CYBMUJFWSA-N 1 0 363.288 4.467 10 0 FIAERO CC[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474735 204396481 /nfs/dbraw/zinc/39/64/81/204396481.db2.gz DCRVAUTXEUFKEO-UHFFFAOYSA-N 1 0 350.256 4.146 10 0 FIAERO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099518 205005480 /nfs/dbraw/zinc/00/54/80/205005480.db2.gz CWNOCLCUIWHVDM-OAQYLSRUSA-N 1 0 355.478 4.493 10 0 FIAERO COc1ccc([C@@H]([NH3+])c2cccc(I)c2)c(Cl)c1 ZINC000036767860 205022824 /nfs/dbraw/zinc/02/28/24/205022824.db2.gz XGTRCQWSHRQVGK-AWEZNQCLSA-N 1 0 373.621 4.001 10 0 FIAERO [NH3+][C@H](Cc1ccccc1Br)c1ccc(Br)cc1 ZINC000037533485 205027412 /nfs/dbraw/zinc/02/74/12/205027412.db2.gz MDTAGOZGHJQNPM-CQSZACIVSA-N 1 0 355.073 4.454 10 0 FIAERO CCCc1cc(NC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073662982 205032953 /nfs/dbraw/zinc/03/29/53/205032953.db2.gz GHVJTCZMBGKMKA-UHFFFAOYSA-N 1 0 364.415 4.279 10 0 FIAERO Cc1ccccc1-c1nc2ccc(Cl)cc2n1CCC[NH+]1CCOCC1 ZINC000040406056 205069013 /nfs/dbraw/zinc/06/90/13/205069013.db2.gz HVRIPNPIGDJCAQ-UHFFFAOYSA-N 1 0 369.896 4.387 10 0 FIAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH3+])c3cc(C(F)(F)F)ccc32)CC1 ZINC000044136816 205107261 /nfs/dbraw/zinc/10/72/61/205107261.db2.gz VJSOKMDSYXKMSU-OAHLLOKOSA-N 1 0 370.415 4.378 10 0 FIAERO [NH3+]C[C@@H](Oc1cccc(I)c1)c1ccccc1Cl ZINC000043088382 205100943 /nfs/dbraw/zinc/10/09/43/205100943.db2.gz FEZZJMDSZJGJSE-CQSZACIVSA-N 1 0 373.621 4.023 10 0 FIAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCc2ccccc21 ZINC000048283802 205154397 /nfs/dbraw/zinc/15/43/97/205154397.db2.gz HQYJTLMJFUYNMV-NRFANRHFSA-N 1 0 351.494 4.014 10 0 FIAERO Brc1cc(C[NH2+]CCc2cccs2)oc1Br ZINC000050358468 205178475 /nfs/dbraw/zinc/17/84/75/205178475.db2.gz IMODMNJEXWSLPP-UHFFFAOYSA-N 1 0 365.090 4.198 10 0 FIAERO CCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@H]1C ZINC000052274032 205185314 /nfs/dbraw/zinc/18/53/14/205185314.db2.gz ZVPVQFXACFVKEL-PELKAZGASA-N 1 0 363.093 4.108 10 0 FIAERO CC(C)(C)[NH2+]CCCOc1ccc(Br)cc1Br ZINC000053586753 205194922 /nfs/dbraw/zinc/19/49/22/205194922.db2.gz GGFUDRFDQWEMNY-UHFFFAOYSA-N 1 0 365.109 4.369 10 0 FIAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])c3ccc(C(F)(F)F)cc32)CC1 ZINC000079027407 205636825 /nfs/dbraw/zinc/63/68/25/205636825.db2.gz FSXWZGBVAYAWJW-HNNXBMFYSA-N 1 0 370.415 4.378 10 0 FIAERO CC1(C)Cc2c(ccn2-c2ccccc2I)[C@H]([NH3+])C1 ZINC000103988311 206235568 /nfs/dbraw/zinc/23/55/68/206235568.db2.gz SQRUVCXDXMTVTB-CYBMUJFWSA-N 1 0 366.246 4.054 10 0 FIAERO C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccc(I)cc1 ZINC000103978754 206236450 /nfs/dbraw/zinc/23/64/50/206236450.db2.gz ZQXAWHOBYCIKMU-CSMYWGQOSA-N 1 0 363.242 4.498 10 0 FIAERO CC[C@@H]([NH3+])Cc1ccc(Br)cc1Sc1nnc(C)s1 ZINC000104301027 206237383 /nfs/dbraw/zinc/23/73/83/206237383.db2.gz PVDGJDGASHPMGT-LLVKDONJSA-N 1 0 358.330 4.040 10 0 FIAERO CN(Cc1ccc(Cl)s1)c1cc(Br)ccc1CC[NH3+] ZINC000104281974 206238577 /nfs/dbraw/zinc/23/85/77/206238577.db2.gz YGYJZCLGMJAPGC-UHFFFAOYSA-N 1 0 359.720 4.302 10 0 FIAERO C[C@@H]([NH3+])Cc1ccc(Oc2cccc(I)c2)c(F)c1 ZINC000104298970 206238760 /nfs/dbraw/zinc/23/87/60/206238760.db2.gz MNFRIZKSBDZFIO-SNVBAGLBSA-N 1 0 371.193 4.112 10 0 FIAERO Brc1ccc(COc2ccc(C3=CC[NH2+]CC3)cc2)s1 ZINC000019803794 206327232 /nfs/dbraw/zinc/32/72/32/206327232.db2.gz XPJWKHQWBJIMSB-UHFFFAOYSA-N 1 0 350.281 4.466 10 0 FIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000022936931 570953674 /nfs/dbraw/zinc/95/36/74/570953674.db2.gz QWOQKYZKQAGNLK-IBGZPJMESA-N 1 0 358.913 4.493 10 0 FIAERO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000113883136 570961606 /nfs/dbraw/zinc/96/16/06/570961606.db2.gz VRWXWAWFVLQHBW-QUCCMNQESA-N 1 0 370.468 4.318 10 0 FIAERO Cc1cc(Br)ccc1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053994 571157982 /nfs/dbraw/zinc/15/79/82/571157982.db2.gz LEDHDJYTHXGCJD-ZFWWWQNUSA-N 1 0 369.303 4.075 10 0 FIAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccc4nc(C)ccc4c3)C1)CCCC2 ZINC000275315846 1080751372 /nfs/dbraw/zinc/75/13/72/1080751372.db2.gz OGKFXTDOLPEVKF-LJQANCHMSA-N 1 0 374.488 4.014 10 0 FIAERO C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000159192691 1087217271 /nfs/dbraw/zinc/21/72/71/1087217271.db2.gz AKMCNBQHWJVLKE-PZJWPPBQSA-N 1 0 364.574 4.229 10 0 FIAERO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000330142757 1089694874 /nfs/dbraw/zinc/69/48/74/1089694874.db2.gz YLPRKZOLEAMPBI-WTANOLMUSA-N 1 0 361.873 4.078 10 0 FIAERO Cc1cccc(-c2nc(CC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)cs2)c1 ZINC000178256802 1089927359 /nfs/dbraw/zinc/92/73/59/1089927359.db2.gz FABGZPRAOYJMIH-CQSZACIVSA-N 1 0 351.475 4.319 10 0 FIAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cnc4ccsc4c3)CC2)nc1 ZINC000163518432 1091875451 /nfs/dbraw/zinc/87/54/51/1091875451.db2.gz XUEGDHSVNLFBJY-HNNXBMFYSA-N 1 0 352.507 4.319 10 0 FIAERO C[C@H]1CCN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C[C@H]1n1ccnc1 ZINC000332930658 1092964904 /nfs/dbraw/zinc/96/49/04/1092964904.db2.gz DBIHTFTXMUKWEU-MTYUVTTFSA-N 1 0 372.900 4.075 10 0 FIAERO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OC(F)F)cc1 ZINC000246517353 1099373832 /nfs/dbraw/zinc/37/38/32/1099373832.db2.gz UMWONTWHXPUXRH-HFTRVMKXSA-N 1 0 357.466 4.383 10 0 FIAERO CC(C)C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000247945351 1099395071 /nfs/dbraw/zinc/39/50/71/1099395071.db2.gz DLHXCQXCAVNPIQ-UZKOGDIHSA-N 1 0 352.526 4.064 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)[C@H](C)c2ccccc2)c2ccc(F)cc2C1 ZINC000248702595 1099407253 /nfs/dbraw/zinc/40/72/53/1099407253.db2.gz GMFFPBXJOKHQRL-DMPWYTOCSA-N 1 0 354.469 4.401 10 0 FIAERO c1csc(C[N@H+]2CCC[C@H](CN[C@H](c3cccs3)c3ncc[nH]3)C2)c1 ZINC000248833232 1099410367 /nfs/dbraw/zinc/41/03/67/1099410367.db2.gz FXFNXGBEJUMADI-CRAIPNDOSA-N 1 0 372.563 4.124 10 0 FIAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@]3(CCSC3)C1)CCCS2 ZINC000249194730 1099415882 /nfs/dbraw/zinc/41/58/82/1099415882.db2.gz QESRPLFAETUCDZ-YJLNNSPDSA-N 1 0 365.564 4.267 10 0 FIAERO CCO[C@H](C)c1noc(CNc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)n1 ZINC000076701451 1099427100 /nfs/dbraw/zinc/42/71/00/1099427100.db2.gz AJYHMNGMQJJPTM-LSDHHAIUSA-N 1 0 358.486 4.139 10 0 FIAERO O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000173473682 1101369660 /nfs/dbraw/zinc/36/96/60/1101369660.db2.gz OLTSLNMHPSNEEQ-ZWKOTPCHSA-N 1 0 367.320 4.184 10 0 FIAERO C[C@H]([NH3+])c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 ZINC000178215666 1101521276 /nfs/dbraw/zinc/52/12/76/1101521276.db2.gz DIOKVZOPKKZGTG-LBPRGKRZSA-N 1 0 371.387 4.211 10 0 FIAERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ncc(Br)s1 ZINC000179238765 1101554504 /nfs/dbraw/zinc/55/45/04/1101554504.db2.gz SHFAKVMOEHUVSU-JTQLQIEISA-N 1 0 372.357 4.287 10 0 FIAERO C[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)c1ccncc1 ZINC000181575271 1101594544 /nfs/dbraw/zinc/59/45/44/1101594544.db2.gz YRLRDWZKDUVTSP-CYBMUJFWSA-N 1 0 369.266 4.152 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)c2ccc(F)cc2C1 ZINC000184508662 1101657174 /nfs/dbraw/zinc/65/71/74/1101657174.db2.gz XOGFRFAKEJAWAR-HTRPQEOZSA-N 1 0 370.443 4.294 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)c2ccc(F)cc2C1 ZINC000184512959 1101657234 /nfs/dbraw/zinc/65/72/34/1101657234.db2.gz RPFFURPCFZEAPD-VQTJNVASSA-N 1 0 370.493 4.446 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2F)c2ccc(F)cc2C1 ZINC000184528851 1101659015 /nfs/dbraw/zinc/65/90/15/1101659015.db2.gz OLPLUOYGOPRUJB-ODXCJYRJSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(C)cc32)c2ccc(F)cc2C1 ZINC000184535546 1101660746 /nfs/dbraw/zinc/66/07/46/1101660746.db2.gz PQUWJEXZTSSXCI-FCHUYYIVSA-N 1 0 352.453 4.205 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)c2ccc(F)cc2C1 ZINC000185365889 1101696028 /nfs/dbraw/zinc/69/60/28/1101696028.db2.gz KBQHWGWTVCMFTR-JOCHJYFZSA-N 1 0 354.469 4.334 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)c2ccc(F)cc2C1 ZINC000185358322 1101696285 /nfs/dbraw/zinc/69/62/85/1101696285.db2.gz XRWWZTJUXAJAOG-MRXNPFEDSA-N 1 0 352.862 4.124 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)c2ccc(F)cc2C1 ZINC000189688595 1101894503 /nfs/dbraw/zinc/89/45/03/1101894503.db2.gz BHYMGDYVEWXCRU-IBGZPJMESA-N 1 0 364.823 4.201 10 0 FIAERO Cc1ccc(N2CCC(c3nc([C@H]4CCO[C@@H]4C(C)(C)C)no3)CC2)nc1 ZINC000190360458 1101918403 /nfs/dbraw/zinc/91/84/03/1101918403.db2.gz MVKRDFVQFBIWGD-WMZOPIPTSA-N 1 0 370.497 4.076 10 0 FIAERO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000191255662 1101938849 /nfs/dbraw/zinc/93/88/49/1101938849.db2.gz HFHQMICTDQYFFJ-UHFFFAOYSA-N 1 0 372.296 4.094 10 0 FIAERO CC(C)(C)c1ncc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000121044847 1102598909 /nfs/dbraw/zinc/59/89/09/1102598909.db2.gz VJOONVDKPZUQEG-UHFFFAOYSA-N 1 0 363.571 4.055 10 0 FIAERO c1csc(C[N@H+]2CCC[C@@H](CN[C@@H](c3cccs3)c3ncc[nH]3)C2)c1 ZINC000195014923 1103078716 /nfs/dbraw/zinc/07/87/16/1103078716.db2.gz FXFNXGBEJUMADI-YJBOKZPZSA-N 1 0 372.563 4.124 10 0 FIAERO CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000167976662 1106902754 /nfs/dbraw/zinc/90/27/54/1106902754.db2.gz YRJPRJZOVVFBQN-JKSUJKDBSA-N 1 0 358.461 4.268 10 0 FIAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Cl)sc1Cl ZINC000155899710 1112349624 /nfs/dbraw/zinc/34/96/24/1112349624.db2.gz CFHHTLPAFKCHDR-JTQLQIEISA-N 1 0 357.310 4.165 10 0 FIAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463187970 1118017120 /nfs/dbraw/zinc/01/71/20/1118017120.db2.gz ABLCVNLFPWZVAM-TXTKFYIRSA-N 1 0 352.522 4.234 10 0 FIAERO CC[C@@H]([NH3+])[C@H](Sc1nccc(C)n1)c1cc(Br)cs1 ZINC000051331365 209373258 /nfs/dbraw/zinc/37/32/58/209373258.db2.gz IOYVRGNCCZWPMK-PWSUYJOCSA-N 1 0 358.330 4.180 10 0 FIAERO Cc1ccccc1[C@H](Oc1ccc(I)cc1)[C@@H](C)[NH3+] ZINC000043040082 209273977 /nfs/dbraw/zinc/27/39/77/209273977.db2.gz AVGVEOHVXLSLEL-MLGOLLRUSA-N 1 0 367.230 4.067 10 0 FIAERO COC[C@@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000011951865 207333374 /nfs/dbraw/zinc/33/33/74/207333374.db2.gz HXCQKKHTEMUYQS-MRXNPFEDSA-N 1 0 369.440 4.048 10 0 FIAERO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1O ZINC000012480854 207383515 /nfs/dbraw/zinc/38/35/15/207383515.db2.gz MJRFDIYPJSHKLL-LBPRGKRZSA-N 1 0 373.403 4.024 10 0 FIAERO COc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccccc1 ZINC000013727017 207480190 /nfs/dbraw/zinc/48/01/90/207480190.db2.gz HTQIZMKZXZBRBK-UHFFFAOYSA-N 1 0 363.885 4.180 10 0 FIAERO CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccccc1F ZINC000013729920 207481492 /nfs/dbraw/zinc/48/14/92/207481492.db2.gz UHSCDDQALXAGQN-SFHVURJKSA-N 1 0 359.441 4.072 10 0 FIAERO CC[NH+](CC)CCn1cc(N[C@@H](C)c2ccc(Br)s2)cn1 ZINC000038003495 207800351 /nfs/dbraw/zinc/80/03/51/207800351.db2.gz SAOWEUIISCDVKL-LBPRGKRZSA-N 1 0 371.348 4.222 10 0 FIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1I ZINC000035497575 208126792 /nfs/dbraw/zinc/12/67/92/208126792.db2.gz CHEDJYQNENLCSQ-CQSZACIVSA-N 1 0 357.260 4.278 10 0 FIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1I ZINC000035510119 208128999 /nfs/dbraw/zinc/12/89/99/208128999.db2.gz WLKXQQDBRWIRHP-CQSZACIVSA-N 1 0 357.260 4.360 10 0 FIAERO C[C@H]([NH3+])c1ccc(Oc2cccc(I)c2)c(F)c1 ZINC000036904209 208173363 /nfs/dbraw/zinc/17/33/63/208173363.db2.gz XLLKSPFJXSEMSL-VIFPVBQESA-N 1 0 357.166 4.242 10 0 FIAERO COc1ccc([C@@H]([NH3+])c2ccccc2I)c(Cl)c1 ZINC000036767923 208174071 /nfs/dbraw/zinc/17/40/71/208174071.db2.gz OIXKIWWCPQGLFP-CQSZACIVSA-N 1 0 373.621 4.001 10 0 FIAERO CC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000037547714 208181935 /nfs/dbraw/zinc/18/19/35/208181935.db2.gz DJZMFLGEYZEWSA-QGZVFWFLSA-N 1 0 354.494 4.263 10 0 FIAERO Cc1[nH]c2ccc(C(=O)N(CCC[NH+](C)C)Cc3cccs3)cc2c1C ZINC000040564197 208257095 /nfs/dbraw/zinc/25/70/95/208257095.db2.gz ZMTZKUGJVIXWAC-UHFFFAOYSA-N 1 0 369.534 4.440 10 0 FIAERO CC(C)(C)NNc1[nH+]cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040796590 208271198 /nfs/dbraw/zinc/27/11/98/208271198.db2.gz WZRWJIWSOBRDMC-UHFFFAOYSA-N 1 0 374.798 4.190 10 0 FIAERO [NH3+]C1CCC(Nc2nc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000095077201 209019116 /nfs/dbraw/zinc/01/91/16/209019116.db2.gz BKFBGRRNKZEUNF-UHFFFAOYSA-N 1 0 354.885 4.420 10 0 FIAERO COc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)cc1 ZINC000073684326 523220924 /nfs/dbraw/zinc/22/09/24/523220924.db2.gz BQYHYTURTIHTSP-UHFFFAOYSA-N 1 0 374.488 4.231 10 0 FIAERO OCC1(C[C@H]2CCCCO2)CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000082039351 527523544 /nfs/dbraw/zinc/52/35/44/527523544.db2.gz UVMNZWJADGJADY-GOSISDBHSA-N 1 0 359.535 4.435 10 0 FIAERO Cc1nnc([C@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)c2ccccc2)[nH]1 ZINC000162577199 568034627 /nfs/dbraw/zinc/03/46/27/568034627.db2.gz AZAYCCFMMXRGIX-UYAOXDASSA-N 1 0 360.461 4.239 10 0 FIAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000228489970 568082022 /nfs/dbraw/zinc/08/20/22/568082022.db2.gz CFQFVFWKKNGPAM-RRQGHBQHSA-N 1 0 356.279 4.104 10 0 FIAERO CCOc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccccc1F ZINC000013730058 570788092 /nfs/dbraw/zinc/78/80/92/570788092.db2.gz SJRUZQCUGYOWMT-UHFFFAOYSA-N 1 0 366.436 4.488 10 0 FIAERO COc1cc(Br)cc(C[NH2+][C@@H](C)c2ccccc2)c1OC ZINC000020933646 570927053 /nfs/dbraw/zinc/92/70/53/570927053.db2.gz DYYNGCCBCHYQCH-LBPRGKRZSA-N 1 0 350.256 4.317 10 0 FIAERO Cc1c2cc(Cl)ccc2oc1-c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000329566411 1087045520 /nfs/dbraw/zinc/04/55/20/1087045520.db2.gz HNGVMVIOGRGZDU-DNVCBOLYSA-N 1 0 373.840 4.370 10 0 FIAERO Cc1cc(NC(=O)N2CCC(Cc3nccn3C)CC2)ccc1OC(C)C ZINC000158215452 1087053370 /nfs/dbraw/zinc/05/33/70/1087053370.db2.gz ZXGPJDLPRPVANA-UHFFFAOYSA-N 1 0 370.497 4.002 10 0 FIAERO c1ccc([C@@H]2C[C@@H]2[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000329812588 1095275337 /nfs/dbraw/zinc/27/53/37/1095275337.db2.gz NCHPQTKWUOHASI-QTDGGUCWSA-N 1 0 372.472 4.041 10 0 FIAERO C[C@@H]1CC([NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)C[C@@H](C)O1 ZINC000245911444 1098869020 /nfs/dbraw/zinc/86/90/20/1098869020.db2.gz PLJMWOWRNTZOJT-BFDPJXHCSA-N 1 0 354.897 4.018 10 0 FIAERO COc1ccc([C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c2ccccc2)cc1 ZINC000245940980 1098898509 /nfs/dbraw/zinc/89/85/09/1098898509.db2.gz JXEFBPRJZBZULS-FCEUIQTBSA-N 1 0 369.530 4.429 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)cc1Br ZINC000246570438 1099370591 /nfs/dbraw/zinc/37/05/91/1099370591.db2.gz XYEMNKPXRPAUHZ-RBOXIYTFSA-N 1 0 374.319 4.294 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000246575751 1099370635 /nfs/dbraw/zinc/37/06/35/1099370635.db2.gz YGURIXCWBFIFKJ-NOLJZWGESA-N 1 0 361.429 4.291 10 0 FIAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000176901891 1101480360 /nfs/dbraw/zinc/48/03/60/1101480360.db2.gz DJANZSZXKZUTKE-OAHLLOKOSA-N 1 0 361.536 4.296 10 0 FIAERO Cc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc2)c(C)c1 ZINC000180122521 1101563371 /nfs/dbraw/zinc/56/33/71/1101563371.db2.gz AZQOLVDPOUBBFS-QFIPXVFZSA-N 1 0 369.472 4.158 10 0 FIAERO Cc1ncc(-c2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)o1 ZINC000182722771 1101616601 /nfs/dbraw/zinc/61/66/01/1101616601.db2.gz KFCJEUXGKHGOCJ-HRAATJIYSA-N 1 0 362.477 4.368 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CSC(C)(C)C)c2ccc(F)cc2C1 ZINC000184510509 1101657319 /nfs/dbraw/zinc/65/73/19/1101657319.db2.gz ZLUUZWJQDWYMIH-FZKQIMNGSA-N 1 0 352.519 4.129 10 0 FIAERO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1OC ZINC000184509227 1101657560 /nfs/dbraw/zinc/65/75/60/1101657560.db2.gz MEOJVSSVAHEUHI-LEWJYISDSA-N 1 0 370.468 4.369 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2sc(C)nc2C)c2ccc(F)cc2C1 ZINC000184514017 1101657815 /nfs/dbraw/zinc/65/78/15/1101657815.db2.gz LOKPDOIMAOYDNU-KZULUSFZSA-N 1 0 361.486 4.043 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)nc2)c2ccc(F)cc2C1 ZINC000184516481 1101657847 /nfs/dbraw/zinc/65/78/47/1101657847.db2.gz YWZWNAYMYLJRHO-KPZWWZAWSA-N 1 0 361.848 4.018 10 0 FIAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(F)c1 ZINC000184518837 1101659031 /nfs/dbraw/zinc/65/90/31/1101659031.db2.gz GQNLBCNWAATJLM-LRTDBIEQSA-N 1 0 374.431 4.118 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)c2ccc(F)cc2C1 ZINC000185361863 1101696055 /nfs/dbraw/zinc/69/60/55/1101696055.db2.gz IJMLATFUDOXCSQ-LJQANCHMSA-N 1 0 364.823 4.201 10 0 FIAERO Clc1ccc2[nH]cc(CC[NH2+]C3CCN(Cc4cccnc4)CC3)c2c1 ZINC000126087752 1102696924 /nfs/dbraw/zinc/69/69/24/1102696924.db2.gz LCVNLTGVFQYDHB-UHFFFAOYSA-N 1 0 368.912 4.013 10 0 FIAERO Cc1ccc(-c2noc([C@H](C)Nc3ccc4c(c3)C[N@@H+](C)C4)n2)cc1F ZINC000194510528 1103069761 /nfs/dbraw/zinc/06/97/61/1103069761.db2.gz RPMVHHLFBKNGQC-ZDUSSCGKSA-N 1 0 352.413 4.303 10 0 FIAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1cccc(Cl)c1Cl ZINC000194519732 1103073212 /nfs/dbraw/zinc/07/32/12/1103073212.db2.gz QDSKNGABVIIYGV-LLVKDONJSA-N 1 0 364.276 4.378 10 0 FIAERO Cc1ncc(-c2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)o1 ZINC000245561054 1103212740 /nfs/dbraw/zinc/21/27/40/1103212740.db2.gz KFCJEUXGKHGOCJ-IERDGZPVSA-N 1 0 362.477 4.368 10 0 FIAERO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@H]3CCC(=O)NC34CCC4)o2)cc1C ZINC000328686322 1104537333 /nfs/dbraw/zinc/53/73/33/1104537333.db2.gz GFPASZNSNXNYSF-ZBFHGGJFSA-N 1 0 354.454 4.046 10 0 FIAERO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248202557 1106789468 /nfs/dbraw/zinc/78/94/68/1106789468.db2.gz ZENYROBCQTWIMT-REWPJTCUSA-N 1 0 364.489 4.066 10 0 FIAERO CC[C@H]([NH3+])[C@H](Sc1nnc(C)s1)c1ccccc1Br ZINC000043096358 209274485 /nfs/dbraw/zinc/27/44/85/209274485.db2.gz FKICAAAJNODDFD-NWDGAFQWSA-N 1 0 358.330 4.180 10 0 FIAERO Cc1ccccc1[C@@H](Oc1ccccc1I)[C@@H](C)[NH3+] ZINC000043040238 209273249 /nfs/dbraw/zinc/27/32/49/209273249.db2.gz KWESMSOMQYWBBJ-WBMJQRKESA-N 1 0 367.230 4.067 10 0 FIAERO Cc1ccc([C@H](Oc2cccc(I)c2)[C@@H](C)[NH3+])cc1 ZINC000042911521 209269523 /nfs/dbraw/zinc/26/95/23/209269523.db2.gz PPRWJDZKHFKFDD-MLGOLLRUSA-N 1 0 367.230 4.067 10 0 FIAERO CC(C)C[NH+](CC(=O)c1ccc(I)cc1)CC(C)C ZINC000104155878 209259883 /nfs/dbraw/zinc/25/98/83/209259883.db2.gz LTFIKQYLBJKWMQ-UHFFFAOYSA-N 1 0 373.278 4.088 10 0 FIAERO CN(Cc1ccc(Br)cc1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042307685 209254940 /nfs/dbraw/zinc/25/49/40/209254940.db2.gz IIIQRHYVVRHMJH-GFCCVEGCSA-N 1 0 359.720 4.296 10 0 FIAERO COc1ccccc1C1CC[NH+](C[C@@H](O)CSc2cccs2)CC1 ZINC000004276668 207011145 /nfs/dbraw/zinc/01/11/45/207011145.db2.gz RIZNENMNVRGEFT-MRXNPFEDSA-N 1 0 363.548 4.089 10 0 FIAERO CC[NH+](CC)CCCCOc1ccc(C)cc1I ZINC000005794551 207118107 /nfs/dbraw/zinc/11/81/07/207118107.db2.gz AKWOKTDZQNFFIN-UHFFFAOYSA-N 1 0 361.267 4.100 10 0 FIAERO Cc1sc2c(c1C)CSC(C(=O)NCCC[N@H+]1CCC[C@H](C)C1)=C2 ZINC000009211367 207261156 /nfs/dbraw/zinc/26/11/56/207261156.db2.gz ZOIRRVHVLYKXEV-ZDUSSCGKSA-N 1 0 364.580 4.191 10 0 FIAERO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC000011936843 207330356 /nfs/dbraw/zinc/33/03/56/207330356.db2.gz KMQYXNSSGIUOPX-QHCPKHFHSA-N 1 0 364.464 4.191 10 0 FIAERO CCOc1ccc(C[NH2+]CCc2ccccc2OC)cc1Br ZINC000013719376 207478180 /nfs/dbraw/zinc/47/81/80/207478180.db2.gz LGFLPPZNCNZVQT-UHFFFAOYSA-N 1 0 364.283 4.189 10 0 FIAERO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+]CCc4ccccc4)CC3)nc2c1 ZINC000014989620 207536994 /nfs/dbraw/zinc/53/69/94/207536994.db2.gz UBXQXNLDPYKKSR-OAQYLSRUSA-N 1 0 374.532 4.438 10 0 FIAERO C[C@@H]([NH3+])c1ccc(Oc2ccccc2I)c(F)c1 ZINC000035454567 208126588 /nfs/dbraw/zinc/12/65/88/208126588.db2.gz FTPDIXNFOVBUSF-SECBINFHSA-N 1 0 357.166 4.242 10 0 FIAERO C[NH2+][C@@H](c1ccc(I)cc1)c1ccc(C)cc1C ZINC000035468113 208127204 /nfs/dbraw/zinc/12/72/04/208127204.db2.gz SOPSVYXNPBZBBC-INIZCTEOSA-N 1 0 351.231 4.217 10 0 FIAERO [NH3+][C@@H]1CCN(c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)C1 ZINC000073684008 208190619 /nfs/dbraw/zinc/19/06/19/208190619.db2.gz CMNBCWLJEVYFLP-QGZVFWFLSA-N 1 0 350.853 4.001 10 0 FIAERO C[NH+](C)CCCOc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1 ZINC000040168664 208241960 /nfs/dbraw/zinc/24/19/60/208241960.db2.gz VWMARFPPNBQSCO-UHFFFAOYSA-N 1 0 357.837 4.444 10 0 FIAERO Clc1ccc2c(c1)nc(C1CCCCC1)n2CCC[NH+]1CCOCC1 ZINC000040406047 208253481 /nfs/dbraw/zinc/25/34/81/208253481.db2.gz NOHCDFHONCPTST-UHFFFAOYSA-N 1 0 361.917 4.460 10 0 FIAERO Clc1ccc2c(c1)nc(-c1ccccc1)n2CCC[NH+]1CCOCC1 ZINC000040406050 208253587 /nfs/dbraw/zinc/25/35/87/208253587.db2.gz SXXAZFKAFJFYPH-UHFFFAOYSA-N 1 0 355.869 4.079 10 0 FIAERO CN(Cc1csc(Br)c1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042360736 208290976 /nfs/dbraw/zinc/29/09/76/208290976.db2.gz CDYZYVVVVRIEHL-VIFPVBQESA-N 1 0 365.749 4.357 10 0 FIAERO CC[NH2+][C@@H](c1sccc1C)c1ccccc1I ZINC000042729668 208295631 /nfs/dbraw/zinc/29/56/31/208295631.db2.gz IEUXRPSOAHAUGA-CYBMUJFWSA-N 1 0 357.260 4.360 10 0 FIAERO CC[NH2+][C@H](c1sccc1C)c1ccc(I)cc1 ZINC000042729871 208295990 /nfs/dbraw/zinc/29/59/90/208295990.db2.gz MIJVAEFIJBAXSB-ZDUSSCGKSA-N 1 0 357.260 4.360 10 0 FIAERO [NH3+]C[C@@H](Oc1ccc(I)cc1)c1ccc(Cl)cc1 ZINC000042949462 208297389 /nfs/dbraw/zinc/29/73/89/208297389.db2.gz XPBJGRWZIJQPIH-CQSZACIVSA-N 1 0 373.621 4.023 10 0 FIAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095752716 209085607 /nfs/dbraw/zinc/08/56/07/209085607.db2.gz FHFDFWCTWZTICD-FQEVSTJZSA-N 1 0 352.478 4.105 10 0 FIAERO Fc1cc(C[NH2+]Cc2cccn2Cc2cccs2)ccc1-n1ccnc1 ZINC000161786657 567967820 /nfs/dbraw/zinc/96/78/20/567967820.db2.gz IBAGPEZMKHDPIT-UHFFFAOYSA-N 1 0 366.465 4.213 10 0 FIAERO CSc1ccc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1F ZINC000162524709 568027509 /nfs/dbraw/zinc/02/75/09/568027509.db2.gz DNUPAOQBSSCBTE-SGTLLEGYSA-N 1 0 356.470 4.414 10 0 FIAERO CCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1F ZINC000013729911 570788242 /nfs/dbraw/zinc/78/82/42/570788242.db2.gz OMTMXFXYTULLSD-UHFFFAOYSA-N 1 0 366.436 4.488 10 0 FIAERO COc1cc(C[NH2+]CCC2=CCCCC2)cc(Br)c1OC ZINC000013723758 570838658 /nfs/dbraw/zinc/83/86/58/570838658.db2.gz ZYNHOYYCNGGXNT-UHFFFAOYSA-N 1 0 354.288 4.446 10 0 FIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000022935964 570953879 /nfs/dbraw/zinc/95/38/79/570953879.db2.gz JZPRONCOSKAOGM-FQEVSTJZSA-N 1 0 358.913 4.493 10 0 FIAERO Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1I ZINC000675075973 571083657 /nfs/dbraw/zinc/08/36/57/571083657.db2.gz XYSJVGXRXYKJLJ-TXEJJXNPSA-N 1 0 357.279 4.386 10 0 FIAERO CCOc1c(C[NH2+]Cc2cccs2)cc(Br)cc1OC ZINC000059585065 571135343 /nfs/dbraw/zinc/13/53/43/571135343.db2.gz OTRKENOCPRMTPK-UHFFFAOYSA-N 1 0 356.285 4.208 10 0 FIAERO Cc1ccc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1Br ZINC000675052797 571148313 /nfs/dbraw/zinc/14/83/13/571148313.db2.gz FHKRODVOCLKWRJ-HIFRSBDPSA-N 1 0 369.303 4.075 10 0 FIAERO Cc1cc2[nH]c(C(=O)N(C)Cc3ccco3)c(C[NH+]3CCCCC3)c2s1 ZINC000075487709 571190587 /nfs/dbraw/zinc/19/05/87/571190587.db2.gz UVRPNLQSKLWTHE-UHFFFAOYSA-N 1 0 371.506 4.389 10 0 FIAERO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000299805571 571203835 /nfs/dbraw/zinc/20/38/35/571203835.db2.gz VHQSLLZPQOHFAQ-PMACEKPBSA-N 1 0 370.468 4.318 10 0 FIAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000154648061 1086417645 /nfs/dbraw/zinc/41/76/45/1086417645.db2.gz JEKIPTCMSXUWJP-UCFCWBNQSA-N 1 0 372.516 4.066 10 0 FIAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000329668641 1087168627 /nfs/dbraw/zinc/16/86/27/1087168627.db2.gz SCECUWJJKXTPKH-LSDHHAIUSA-N 1 0 362.271 4.016 10 0 FIAERO CCC(C)(C)c1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000333242558 1093802758 /nfs/dbraw/zinc/80/27/58/1093802758.db2.gz BIDBNCJXQZRRJX-UXHICEINSA-N 1 0 373.541 4.124 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000246575743 1099369941 /nfs/dbraw/zinc/36/99/41/1099369941.db2.gz YGURIXCWBFIFKJ-BJJXKVORSA-N 1 0 361.429 4.291 10 0 FIAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1OCC ZINC000246581483 1099370718 /nfs/dbraw/zinc/37/07/18/1099370718.db2.gz YQTOLLQPAPYTQC-VPWXQRGCSA-N 1 0 365.539 4.189 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)ccc1SC(F)F ZINC000246920806 1099378789 /nfs/dbraw/zinc/37/87/89/1099378789.db2.gz GBUXLTPZHFKIEC-POHZPAGDSA-N 1 0 365.445 4.319 10 0 FIAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000249295875 1099419605 /nfs/dbraw/zinc/41/96/05/1099419605.db2.gz BWDRZDVQJUIGGY-COXVUDFISA-N 1 0 370.356 4.024 10 0 FIAERO O=C(Nc1ccccc1N1CCCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000079664186 1099776897 /nfs/dbraw/zinc/77/68/97/1099776897.db2.gz JOAGBFRHIWJIOH-UHFFFAOYSA-N 1 0 370.541 4.159 10 0 FIAERO CC(C)C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000178058617 1101515111 /nfs/dbraw/zinc/51/51/11/1101515111.db2.gz GBOHDWNNDKJSEZ-SFHVURJKSA-N 1 0 355.873 4.193 10 0 FIAERO Clc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cncn1)CCCS2 ZINC000178054292 1101515884 /nfs/dbraw/zinc/51/58/84/1101515884.db2.gz MWQLKURDJRTHDD-MRXNPFEDSA-N 1 0 371.897 4.033 10 0 FIAERO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ncc(Br)s1 ZINC000179238771 1101554335 /nfs/dbraw/zinc/55/43/35/1101554335.db2.gz SHFAKVMOEHUVSU-SNVBAGLBSA-N 1 0 372.357 4.287 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184527645 1101658965 /nfs/dbraw/zinc/65/89/65/1101658965.db2.gz RTQDGKDZPNNAQK-OPAMFIHVSA-N 1 0 354.469 4.230 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)s2)c2ccc(F)cc2C1 ZINC000185358304 1101696442 /nfs/dbraw/zinc/69/64/42/1101696442.db2.gz XRWWZTJUXAJAOG-INIZCTEOSA-N 1 0 352.862 4.124 10 0 FIAERO Cc1ccc(Cl)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116477201 1102555992 /nfs/dbraw/zinc/55/59/92/1102555992.db2.gz KMNYOMJSKDLJER-YJBOKZPZSA-N 1 0 372.900 4.076 10 0 FIAERO O=C(Nc1ccccc1CCC(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000126305405 1102703908 /nfs/dbraw/zinc/70/39/08/1102703908.db2.gz KCKINUUYSZSYAZ-UHFFFAOYSA-N 1 0 369.431 4.274 10 0 FIAERO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194514850 1103069989 /nfs/dbraw/zinc/06/99/89/1103069989.db2.gz SCKHBMAZJZUFEH-ZDUSSCGKSA-N 1 0 373.884 4.042 10 0 FIAERO Cc1cc(-c2noc([C@@H](C)Nc3ccc4c(c3)C[N@@H+](C)C4)n2)ccc1F ZINC000194509793 1103071031 /nfs/dbraw/zinc/07/10/31/1103071031.db2.gz SOPAANARJNUTRO-CYBMUJFWSA-N 1 0 352.413 4.303 10 0 FIAERO O=C(c1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1)N1CCCCC1 ZINC000195358475 1103084984 /nfs/dbraw/zinc/08/49/84/1103084984.db2.gz MJOVGWQKBXQUFH-LJQANCHMSA-N 1 0 369.534 4.149 10 0 FIAERO Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1Cl ZINC000245493681 1103141824 /nfs/dbraw/zinc/14/18/24/1103141824.db2.gz MADNJDZAIIVECH-WBVHZDCISA-N 1 0 372.900 4.076 10 0 FIAERO O=C1CC[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C2(CCC2)N1 ZINC000328765377 1104553408 /nfs/dbraw/zinc/55/34/08/1104553408.db2.gz PDPBYJJHISAAQQ-CABCVRRESA-N 1 0 353.388 4.109 10 0 FIAERO COCc1cc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)ccc1OC ZINC000168449475 1109361544 /nfs/dbraw/zinc/36/15/44/1109361544.db2.gz UEKYIDGKBGHDSK-HNNXBMFYSA-N 1 0 360.523 4.223 10 0 FIAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)s1)c1ccccc1Br ZINC000043096362 209273200 /nfs/dbraw/zinc/27/32/00/209273200.db2.gz FKICAAAJNODDFD-RYUDHWBXSA-N 1 0 358.330 4.180 10 0 FIAERO [NH3+]C[C@H](c1ccc(Br)s1)N(Cc1cccs1)C1CC1 ZINC000042318496 209256857 /nfs/dbraw/zinc/25/68/57/209256857.db2.gz DGCNNCVKBDOZDO-GFCCVEGCSA-N 1 0 357.342 4.237 10 0 FIAERO CCOC(=O)C1(c2ccccc2)CC[NH+](CCCNc2ccccc2)CC1 ZINC000004217303 207007949 /nfs/dbraw/zinc/00/79/49/207007949.db2.gz PXXKIYPSXYFATG-UHFFFAOYSA-N 1 0 366.505 4.086 10 0 in-man FIAERO C[NH2+][C@@H](c1ccc2c(c1)CCC2)c1ccccc1I ZINC000035496927 207190673 /nfs/dbraw/zinc/19/06/73/207190673.db2.gz HEHILIDKISVFOP-KRWDZBQOSA-N 1 0 363.242 4.089 10 0 FIAERO Cc1sc2c(c1C)CSC(C(=O)NCCC[N@H+]1CCC[C@@H](C)C1)=C2 ZINC000009211368 207261582 /nfs/dbraw/zinc/26/15/82/207261582.db2.gz ZOIRRVHVLYKXEV-CYBMUJFWSA-N 1 0 364.580 4.191 10 0 FIAERO CCOc1c(C[NH2+]Cc2ccccc2)cc(Br)cc1OC ZINC000010436498 207300741 /nfs/dbraw/zinc/30/07/41/207300741.db2.gz ARHYHNQBZFXUBX-UHFFFAOYSA-N 1 0 350.256 4.146 10 0 FIAERO CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1Br ZINC000010475397 207302178 /nfs/dbraw/zinc/30/21/78/207302178.db2.gz UAWVNOODFZNMKM-UHFFFAOYSA-N 1 0 350.256 4.146 10 0 FIAERO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2=O)c1 ZINC000011701678 207318121 /nfs/dbraw/zinc/31/81/21/207318121.db2.gz UKOFPHHLIQIQDS-IBGZPJMESA-N 1 0 368.443 4.152 10 0 FIAERO O=C(CCC(F)(F)F)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000011814259 207321574 /nfs/dbraw/zinc/32/15/74/207321574.db2.gz YOIUNGPOCDGFNX-GOSISDBHSA-N 1 0 360.464 4.224 10 0 FIAERO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000012305806 207359046 /nfs/dbraw/zinc/35/90/46/207359046.db2.gz UZKGSASXISMGCQ-IBGZPJMESA-N 1 0 350.441 4.210 10 0 FIAERO COc1cc(NCCC[C@@H](C)[NH3+])c2cc(Br)ccc2c1OC ZINC000027560187 207934456 /nfs/dbraw/zinc/93/44/56/207934456.db2.gz PJHSSJWAKCTGRG-LLVKDONJSA-N 1 0 367.287 4.159 10 0 FIAERO CC[NH+](CC)CCN(Cc1ccc(Br)cc1)c1ccccn1 ZINC000033868074 208099811 /nfs/dbraw/zinc/09/98/11/208099811.db2.gz AQNWIRZEJXNCLA-UHFFFAOYSA-N 1 0 362.315 4.193 10 0 FIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(I)cc1 ZINC000035464203 208126072 /nfs/dbraw/zinc/12/60/72/208126072.db2.gz FFDBCMPAUZNYQX-CQSZACIVSA-N 1 0 357.622 4.253 10 0 FIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(I)cc2)cc1 ZINC000035495007 208126234 /nfs/dbraw/zinc/12/62/34/208126234.db2.gz DGBOFAPKHWCXAL-INIZCTEOSA-N 1 0 351.231 4.162 10 0 FIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(I)c1 ZINC000035540996 208131481 /nfs/dbraw/zinc/13/14/81/208131481.db2.gz BFKBSYBCJLKKHM-INIZCTEOSA-N 1 0 351.231 4.299 10 0 FIAERO CCC[NH2+][C@@H](c1ccccc1)c1ccccc1I ZINC000035575835 208132184 /nfs/dbraw/zinc/13/21/84/208132184.db2.gz RMMBLQVISXVKCL-INIZCTEOSA-N 1 0 351.231 4.380 10 0 FIAERO CCC[NH2+][C@H](c1ccccc1)c1cccc(I)c1 ZINC000035575760 208133914 /nfs/dbraw/zinc/13/39/14/208133914.db2.gz QRMUHKOCKDQXAJ-MRXNPFEDSA-N 1 0 351.231 4.380 10 0 FIAERO CC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840480 208137483 /nfs/dbraw/zinc/13/74/83/208137483.db2.gz WCQYEMOVOATYRT-HSZRJFAPSA-N 1 0 366.480 4.449 10 0 FIAERO [NH3+][C@H]1CCN(c2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000073684128 208189378 /nfs/dbraw/zinc/18/93/78/208189378.db2.gz UQMBGIILWRXQER-KRWDZBQOSA-N 1 0 350.853 4.001 10 0 FIAERO CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N[C@@H]1CCC[NH2+]C1 ZINC000073685280 208190802 /nfs/dbraw/zinc/19/08/02/208190802.db2.gz QXDDANOWSWTHRJ-OAHLLOKOSA-N 1 0 364.415 4.197 10 0 FIAERO CC(C)[NH2+]Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000040730580 208266799 /nfs/dbraw/zinc/26/67/99/208266799.db2.gz KQKKPINCSYGVGE-UHFFFAOYSA-N 1 0 365.109 4.497 10 0 FIAERO CCC[NH2+]Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000040730510 208266832 /nfs/dbraw/zinc/26/68/32/208266832.db2.gz WMTLEJZOMDBNCU-UHFFFAOYSA-N 1 0 365.109 4.498 10 0 FIAERO [NH3+]C[C@@H](Oc1ccccc1Br)c1ccccc1Br ZINC000043094891 208300371 /nfs/dbraw/zinc/30/03/71/208300371.db2.gz UJQVVVKDQIQACB-CQSZACIVSA-N 1 0 371.072 4.290 10 0 FIAERO FC(F)(F)c1nc2cccnc2n1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095076867 209018407 /nfs/dbraw/zinc/01/84/07/209018407.db2.gz IGTBRQDWURXIDN-OAHLLOKOSA-N 1 0 360.383 4.287 10 0 FIAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000275436260 527472419 /nfs/dbraw/zinc/47/24/19/527472419.db2.gz FPPOPOJOBNQZKL-GJZGRUSLSA-N 1 0 373.806 4.102 10 0 FIAERO CCOc1cccc(C[NH2+]CCCOC)c1OCc1ccc(Cl)cc1 ZINC000013722703 570786768 /nfs/dbraw/zinc/78/67/68/570786768.db2.gz HUAWUMZKFIANMM-UHFFFAOYSA-N 1 0 363.885 4.444 10 0 FIAERO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013727880 570788216 /nfs/dbraw/zinc/78/82/16/570788216.db2.gz ZEJKEUYTTBEUJJ-UHFFFAOYSA-N 1 0 367.276 4.356 10 0 FIAERO CC(C)(CO)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028427909 571026516 /nfs/dbraw/zinc/02/65/16/571026516.db2.gz PXCJFUHJZLPXIU-UHFFFAOYSA-N 1 0 354.277 4.433 10 0 FIAERO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1ccc2cc(NC(C)=O)ccc2n1 ZINC000055270419 571118779 /nfs/dbraw/zinc/11/87/79/571118779.db2.gz KEQAUFSCXXKCQW-MRXNPFEDSA-N 1 0 362.477 4.389 10 0 FIAERO CC(C)[N@@H+]1CCc2[nH]c3ccc(NC(=O)c4cccc(F)c4)cc3c2C1 ZINC000075344371 571161751 /nfs/dbraw/zinc/16/17/51/571161751.db2.gz QJZCKPMXQVWJPI-UHFFFAOYSA-N 1 0 351.425 4.326 10 0 FIAERO C[N+](C)(Cc1cc2c(cc1Br)OCCCO2)C1CCCC1 ZINC000182241801 717157840 /nfs/dbraw/zinc/15/78/40/717157840.db2.gz FDDXGBZJVTXNRK-UHFFFAOYSA-N 1 0 355.296 4.129 10 0 FIAERO Cc1csc(-c2ccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000101753926 1083392609 /nfs/dbraw/zinc/39/26/09/1083392609.db2.gz ZJWVRYFPNDQJTB-UHFFFAOYSA-N 1 0 370.522 4.211 10 0 FIAERO c1ccc(C2CCC(c3nc([C@H]4CN5CCC[C@H]5CO4)no3)CC2)cc1 ZINC000329546704 1087022700 /nfs/dbraw/zinc/02/27/00/1087022700.db2.gz AWDGTWJJPKARCH-WZOJCFFYSA-N 1 0 353.466 4.047 10 0 FIAERO CC(C)(C)c1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1Cl ZINC000329602260 1087075690 /nfs/dbraw/zinc/07/56/90/1087075690.db2.gz XYAJGCMTLAACPR-BBRMVZONSA-N 1 0 361.873 4.223 10 0 FIAERO C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000159192293 1087217245 /nfs/dbraw/zinc/21/72/45/1087217245.db2.gz AKMCNBQHWJVLKE-CTNGQTDRSA-N 1 0 364.574 4.229 10 0 FIAERO CCC(C)(C)c1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000333242553 1093802325 /nfs/dbraw/zinc/80/23/25/1093802325.db2.gz BIDBNCJXQZRRJX-PMACEKPBSA-N 1 0 373.541 4.124 10 0 FIAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000248024687 1099399048 /nfs/dbraw/zinc/39/90/48/1099399048.db2.gz ONWZSECAUMFHEX-JMUQELJHSA-N 1 0 361.489 4.264 10 0 FIAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000248024683 1099399137 /nfs/dbraw/zinc/39/91/37/1099399137.db2.gz ONWZSECAUMFHEX-AAIMPIBUSA-N 1 0 361.489 4.264 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c2ccc(F)cc2C1 ZINC000248657824 1099406227 /nfs/dbraw/zinc/40/62/27/1099406227.db2.gz XOEIXELIZMPNTK-CWVNLOTRSA-N 1 0 356.441 4.125 10 0 FIAERO c1csc(C[N@H+]2CCC[C@@H](CN[C@H](c3cccs3)c3ncc[nH]3)C2)c1 ZINC000248833240 1099411027 /nfs/dbraw/zinc/41/10/27/1099411027.db2.gz FXFNXGBEJUMADI-MAUKXSAKSA-N 1 0 372.563 4.124 10 0 FIAERO O=C(Nc1cccc(N2CCCCCC2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000077723564 1099470992 /nfs/dbraw/zinc/47/09/92/1099470992.db2.gz JCHXAHPICRPKEG-UHFFFAOYSA-N 1 0 370.541 4.159 10 0 FIAERO C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175052374 1101410523 /nfs/dbraw/zinc/41/05/23/1101410523.db2.gz LPFXGZVRVNQFBI-MRXNPFEDSA-N 1 0 361.530 4.148 10 0 FIAERO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000176901855 1101480669 /nfs/dbraw/zinc/48/06/69/1101480669.db2.gz PVOAWYPTBUBAQS-OAHLLOKOSA-N 1 0 361.536 4.296 10 0 FIAERO C[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)c1ccncc1 ZINC000181575252 1101594057 /nfs/dbraw/zinc/59/40/57/1101594057.db2.gz YRLRDWZKDUVTSP-ZDUSSCGKSA-N 1 0 369.266 4.152 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)c2ccc(F)cc2C1 ZINC000184510526 1101656816 /nfs/dbraw/zinc/65/68/16/1101656816.db2.gz ZLUUZWJQDWYMIH-UGSOOPFHSA-N 1 0 352.519 4.129 10 0 FIAERO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184511286 1101656855 /nfs/dbraw/zinc/65/68/55/1101656855.db2.gz LQTJZRAZABQKTR-RBBKRZOGSA-N 1 0 354.469 4.230 10 0 FIAERO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(F)cc1 ZINC000184512821 1101657550 /nfs/dbraw/zinc/65/75/50/1101657550.db2.gz JYLFYBBICVRZAW-NHCUHLMSSA-N 1 0 358.432 4.499 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)c2ccc(F)cc2C1 ZINC000184524885 1101658713 /nfs/dbraw/zinc/65/87/13/1101658713.db2.gz ABJRBOWXBYBZCW-YUNKPMOVSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)c2ccc(F)cc2C1 ZINC000184524850 1101659223 /nfs/dbraw/zinc/65/92/23/1101659223.db2.gz ABJRBOWXBYBZCW-FKIZINRSSA-N 1 0 362.395 4.248 10 0 FIAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(F)c1 ZINC000184518821 1101659477 /nfs/dbraw/zinc/65/94/77/1101659477.db2.gz GQNLBCNWAATJLM-YEJXKQKISA-N 1 0 374.431 4.118 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccc(F)cc2C1 ZINC000184517065 1101659879 /nfs/dbraw/zinc/65/98/79/1101659879.db2.gz OWELLJHGJHVZND-FGZHOGPDSA-N 1 0 352.453 4.286 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184538564 1101661783 /nfs/dbraw/zinc/66/17/83/1101661783.db2.gz MOTCLQOHZLUOFV-YUNKPMOVSA-N 1 0 362.395 4.248 10 0 FIAERO COc1ccsc1[C@@H](C)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000186290296 1101762350 /nfs/dbraw/zinc/76/23/50/1101762350.db2.gz NMDWACPVXGYUAF-PXAZEXFGSA-N 1 0 362.470 4.040 10 0 FIAERO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000186290256 1101762832 /nfs/dbraw/zinc/76/28/32/1101762832.db2.gz NMDWACPVXGYUAF-SJKOYZFVSA-N 1 0 362.470 4.040 10 0 FIAERO CCCc1cccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000187364222 1101802955 /nfs/dbraw/zinc/80/29/55/1101802955.db2.gz VPXQBVOYWHXZSO-JOCHJYFZSA-N 1 0 354.469 4.361 10 0 FIAERO Cc1c([C@@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)cnn1-c1ccccn1 ZINC000090664219 1102304358 /nfs/dbraw/zinc/30/43/58/1102304358.db2.gz JBFCRRHMESDQNL-QGZVFWFLSA-N 1 0 369.472 4.489 10 0 FIAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000126275783 1102701891 /nfs/dbraw/zinc/70/18/91/1102701891.db2.gz AXABPDILWFPPKY-GJYPPUQNSA-N 1 0 366.534 4.253 10 0 FIAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3cnc4ccsc4c3)CC2)n1 ZINC000128206129 1102748452 /nfs/dbraw/zinc/74/84/52/1102748452.db2.gz LEMHZJXWMQHDBE-OAHLLOKOSA-N 1 0 352.507 4.319 10 0 FIAERO O=C(c1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1)N1CCCCC1 ZINC000195358469 1103084363 /nfs/dbraw/zinc/08/43/63/1103084363.db2.gz MJOVGWQKBXQUFH-IBGZPJMESA-N 1 0 369.534 4.149 10 0 FIAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)s1)c1ccccc1Br ZINC000043096360 209274281 /nfs/dbraw/zinc/27/42/81/209274281.db2.gz FKICAAAJNODDFD-VXGBXAGGSA-N 1 0 358.330 4.180 10 0 FIAERO Cc1ccc([C@@H](Oc2cccc(I)c2)[C@@H](C)[NH3+])cc1 ZINC000042911525 209269838 /nfs/dbraw/zinc/26/98/38/209269838.db2.gz PPRWJDZKHFKFDD-WBMJQRKESA-N 1 0 367.230 4.067 10 0 FIAERO Cc1ccc([C@H](Oc2ccccc2I)[C@@H](C)[NH3+])cc1 ZINC000042911612 209268844 /nfs/dbraw/zinc/26/88/44/209268844.db2.gz CZVCTULFDFAZMX-MLGOLLRUSA-N 1 0 367.230 4.067 10 0 FIAERO CN(Cc1ccccc1Br)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042307800 209255027 /nfs/dbraw/zinc/25/50/27/209255027.db2.gz LWSXLKKKZSUVCD-LBPRGKRZSA-N 1 0 359.720 4.296 10 0 FIAERO CN(Cc1ccccc1Cl)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042307567 209254764 /nfs/dbraw/zinc/25/47/64/209254764.db2.gz WMEJDRBFWXJHGR-LBPRGKRZSA-N 1 0 359.720 4.296 10 0 FIAERO CC(C)C[C@](CC[NH+]1CCCCC1)(C(N)=O)c1cccc2ccccc21 ZINC000005759885 206801424 /nfs/dbraw/zinc/80/14/24/206801424.db2.gz FMWORCQTZIKXOG-QHCPKHFHSA-N 1 0 352.522 4.485 10 0 FIAERO CC[NH2+]Cc1ccc(Oc2ccccc2I)c(F)c1 ZINC000035454823 207181553 /nfs/dbraw/zinc/18/15/53/207181553.db2.gz BMYMVNOUVBQORV-UHFFFAOYSA-N 1 0 371.193 4.332 10 0 FIAERO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cc1C ZINC000012301893 207356766 /nfs/dbraw/zinc/35/67/66/207356766.db2.gz AYCMYTPEOFAXCK-UHFFFAOYSA-N 1 0 357.461 4.373 10 0 FIAERO Cc1c([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cnn1-c1ccccc1 ZINC000012429446 207373307 /nfs/dbraw/zinc/37/33/07/207373307.db2.gz DMYDMSYXAIFPFT-QGZVFWFLSA-N 1 0 357.461 4.217 10 0 FIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cccc(I)c1 ZINC000035497524 208125710 /nfs/dbraw/zinc/12/57/10/208125710.db2.gz RBSXVAHHCDKQHU-CQSZACIVSA-N 1 0 357.260 4.278 10 0 FIAERO [NH3+]Cc1c(Cl)cccc1Oc1ccccc1I ZINC000035454889 208127278 /nfs/dbraw/zinc/12/72/78/208127278.db2.gz WZVZLLTYKNFXBB-UHFFFAOYSA-N 1 0 359.594 4.196 10 0 FIAERO CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096003 208145764 /nfs/dbraw/zinc/14/57/64/208145764.db2.gz HHBYOPUUGNGCFM-IBGZPJMESA-N 1 0 361.457 4.006 10 0 FIAERO [NH3+][C@@H](c1ccc(Br)cc1)c1cc(F)cc(Br)c1 ZINC000037034232 208175623 /nfs/dbraw/zinc/17/56/23/208175623.db2.gz PJPAPTATLRKRIB-ZDUSSCGKSA-N 1 0 359.036 4.399 10 0 FIAERO CCC[C@@](C)([NH3+])C(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000037621445 208184423 /nfs/dbraw/zinc/18/44/23/208184423.db2.gz ITVJABQASRPMRR-GFCCVEGCSA-N 1 0 354.075 4.212 10 0 FIAERO CCc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037580763 208184959 /nfs/dbraw/zinc/18/49/59/208184959.db2.gz JCMMJBCLSUGZSU-UHFFFAOYSA-N 1 0 354.469 4.406 10 0 FIAERO [NH3+]C[C@@H](Oc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000042956657 208298181 /nfs/dbraw/zinc/29/81/81/208298181.db2.gz GIBIJZHLOBEWHL-CQSZACIVSA-N 1 0 371.072 4.290 10 0 FIAERO [NH3+]C[C@@H](Oc1ccc(I)cc1)c1ccccc1Cl ZINC000043088376 208301372 /nfs/dbraw/zinc/30/13/72/208301372.db2.gz BZYKYNBEERWDLV-CQSZACIVSA-N 1 0 373.621 4.023 10 0 FIAERO CC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1nc(CC(C)C)cc(=O)[nH]1 ZINC000048170765 208389773 /nfs/dbraw/zinc/38/97/73/208389773.db2.gz SUAHNMOYKFIAOT-IBGZPJMESA-N 1 0 353.510 4.400 10 0 FIAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000095077388 209018117 /nfs/dbraw/zinc/01/81/17/209018117.db2.gz DHPBNFYRMYNVQO-DLBZAZTESA-N 1 0 354.885 4.420 10 0 FIAERO FC(F)(F)C(F)(F)SCC[NH2+]Cc1cccc(Br)c1 ZINC000095918378 209087248 /nfs/dbraw/zinc/08/72/48/209087248.db2.gz NPEWDOBLULFEOF-UHFFFAOYSA-N 1 0 364.177 4.427 10 0 FIAERO CN(C)c1ncc(C[NH2+][C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)s1 ZINC000020500638 517919066 /nfs/dbraw/zinc/91/90/66/517919066.db2.gz KKRYTNWUEOARNX-HNNXBMFYSA-N 1 0 373.570 4.100 10 0 FIAERO Cc1c(C[NH2+]CCO)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315494 570699891 /nfs/dbraw/zinc/69/98/91/570699891.db2.gz MOHYUFFLJQNIBR-UHFFFAOYSA-N 1 0 363.288 4.387 10 0 FIAERO COCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000013722486 570786825 /nfs/dbraw/zinc/78/68/25/570786825.db2.gz XBAAIZFMPQKGLF-UHFFFAOYSA-N 1 0 367.848 4.193 10 0 FIAERO COc1cc(C[NH2+]CCCCCO)ccc1OCc1ccccc1Cl ZINC000013726856 570787595 /nfs/dbraw/zinc/78/75/95/570787595.db2.gz OJDGAGZEHRSMAK-UHFFFAOYSA-N 1 0 363.885 4.180 10 0 FIAERO CCOc1cccc(CNCCC[NH2+]C)c1OCc1ccccc1Cl ZINC000013736244 570788663 /nfs/dbraw/zinc/78/86/63/570788663.db2.gz REYMOVBUWHHZFC-UHFFFAOYSA-N 1 0 362.901 4.017 10 0 FIAERO Cc1cc2[nH]c(C(=O)NCc3cccs3)c(C[NH+]3CCCC3)c2s1 ZINC000065138909 570813060 /nfs/dbraw/zinc/81/30/60/570813060.db2.gz WQWZALXYRLUPFQ-UHFFFAOYSA-N 1 0 359.520 4.125 10 0 FIAERO [NH3+]C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725243668 571239507 /nfs/dbraw/zinc/23/95/07/571239507.db2.gz BMEDWYWTUIVAAB-IYBDPMFKSA-N 1 0 350.462 4.043 10 0 FIAERO CC(C)c1noc([C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C2CCOCC2)n1 ZINC000328643820 571325802 /nfs/dbraw/zinc/32/58/02/571325802.db2.gz YYTVIQVFGGPTTD-KVZIAJEVSA-N 1 0 373.472 4.336 10 0 FIAERO Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)cc3Cl)CC2)nc1 ZINC000157773160 1086975777 /nfs/dbraw/zinc/97/57/77/1086975777.db2.gz UJNKIBUQNIWRJW-UHFFFAOYSA-N 1 0 364.276 4.096 10 0 FIAERO Cc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)sc2cccc(F)c12 ZINC000329472721 1094925462 /nfs/dbraw/zinc/92/54/62/1094925462.db2.gz BFILITLGSZWTLY-YJYMSZOUSA-N 1 0 373.453 4.325 10 0 FIAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1OCC ZINC000246581470 1099370459 /nfs/dbraw/zinc/37/04/59/1099370459.db2.gz YQTOLLQPAPYTQC-KNBMTAEXSA-N 1 0 365.539 4.189 10 0 FIAERO COc1ccc(-c2nc(C)c([C@H](C)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)s2)cc1 ZINC000247070412 1099383532 /nfs/dbraw/zinc/38/35/32/1099383532.db2.gz OGDFCYGMSIJMHW-WBAXXEDZSA-N 1 0 371.550 4.405 10 0 FIAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000247970743 1099395434 /nfs/dbraw/zinc/39/54/34/1099395434.db2.gz JEKIPTCMSXUWJP-WNOPAQSVSA-N 1 0 372.516 4.066 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)cs1 ZINC000248747508 1099408702 /nfs/dbraw/zinc/40/87/02/1099408702.db2.gz UAQNGWLJJJDSCO-SUHUHFCYSA-N 1 0 362.358 4.216 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Br)cc1F ZINC000249189206 1099415749 /nfs/dbraw/zinc/41/57/49/1099415749.db2.gz MUXOWIRJIFAIHN-GHJWDPDVSA-N 1 0 374.319 4.294 10 0 FIAERO CN1CC[C@@H](CNC(=O)c2ccoc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249298473 1099419213 /nfs/dbraw/zinc/41/92/13/1099419213.db2.gz LDRYMARNVIUNGI-XHDPSFHLSA-N 1 0 371.239 4.148 10 0 FIAERO CCCCCOc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178056390 1101514619 /nfs/dbraw/zinc/51/46/19/1101514619.db2.gz ZZWOQFKGVWLCFU-KRWDZBQOSA-N 1 0 365.481 4.082 10 0 FIAERO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NCc3nnc(C4CCC4)n3C)c2C1 ZINC000180965290 1101583638 /nfs/dbraw/zinc/58/36/38/1101583638.db2.gz UIQGJBNPXJBGIM-HNNXBMFYSA-N 1 0 353.514 4.055 10 0 FIAERO CC(C)c1nc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000181018631 1101585575 /nfs/dbraw/zinc/58/55/75/1101585575.db2.gz LNIDUZZMJNVBGY-RYRKJORJSA-N 1 0 358.555 4.223 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2sc(C)nc2C)c2ccc(F)cc2C1 ZINC000184514076 1101657009 /nfs/dbraw/zinc/65/70/09/1101657009.db2.gz LOKPDOIMAOYDNU-SGTLLEGYSA-N 1 0 361.486 4.043 10 0 FIAERO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(F)cc1 ZINC000184512835 1101657461 /nfs/dbraw/zinc/65/74/61/1101657461.db2.gz JYLFYBBICVRZAW-SFTDATJTSA-N 1 0 358.432 4.499 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184516189 1101657656 /nfs/dbraw/zinc/65/76/56/1101657656.db2.gz FWELEAPOIDXCPU-QVHXHXEWSA-N 1 0 352.453 4.155 10 0 FIAERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184528541 1101659623 /nfs/dbraw/zinc/65/96/23/1101659623.db2.gz VSMMWAUDNBRAAD-QRQCRPRQSA-N 1 0 370.468 4.369 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)c2ccc(F)cc2C1 ZINC000185361847 1101696825 /nfs/dbraw/zinc/69/68/25/1101696825.db2.gz IJMLATFUDOXCSQ-IBGZPJMESA-N 1 0 364.823 4.201 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]CCSCc2ccccc2)c2ccc(F)cc2C1 ZINC000186357969 1101767508 /nfs/dbraw/zinc/76/75/08/1101767508.db2.gz PRQDUKSRYRRBTI-OAQYLSRUSA-N 1 0 372.509 4.142 10 0 FIAERO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc(F)c1 ZINC000188473456 1101833841 /nfs/dbraw/zinc/83/38/41/1101833841.db2.gz WZJNKZMQEYZJFQ-RTWAWAEBSA-N 1 0 358.432 4.499 10 0 FIAERO CCS(=O)(=O)CCCCCNc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000190815725 1101928945 /nfs/dbraw/zinc/92/89/45/1101928945.db2.gz BWVMKQUKJXOFPZ-QGZVFWFLSA-N 1 0 366.571 4.064 10 0 FIAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3nc4c(s3)CCCC4)CC2)nc1 ZINC000091727817 1102410873 /nfs/dbraw/zinc/41/08/73/1102410873.db2.gz RTJSRXLJYPCSRI-HNNXBMFYSA-N 1 0 356.539 4.045 10 0 FIAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194514834 1103069830 /nfs/dbraw/zinc/06/98/30/1103069830.db2.gz SCKHBMAZJZUFEH-CYBMUJFWSA-N 1 0 373.884 4.042 10 0 FIAERO Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)c(Cl)c1 ZINC000194513166 1103070097 /nfs/dbraw/zinc/07/00/97/1103070097.db2.gz NMUIJQIVTSDHGM-AWEZNQCLSA-N 1 0 357.885 4.341 10 0 FIAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000194519599 1103072486 /nfs/dbraw/zinc/07/24/86/1103072486.db2.gz BUGNIYKNXHMSEH-LLVKDONJSA-N 1 0 364.276 4.378 10 0 FIAERO c1csc(C[N@H+]2CCC[C@H](CN[C@@H](c3cccs3)c3ncc[nH]3)C2)c1 ZINC000195014910 1103079522 /nfs/dbraw/zinc/07/95/22/1103079522.db2.gz FXFNXGBEJUMADI-QAPCUYQASA-N 1 0 372.563 4.124 10 0 FIAERO FC(F)(F)c1cccc(-c2nn(Cc3ccccc3)c3c2C[NH2+]CC3)c1 ZINC000167298575 209513593 /nfs/dbraw/zinc/51/35/93/209513593.db2.gz DWOLBYMMOKBOHJ-UHFFFAOYSA-N 1 0 357.379 4.263 10 0 FIAERO O=C1Nc2c(Cl)cccc2CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000142864101 209379906 /nfs/dbraw/zinc/37/99/06/209379906.db2.gz MQLFEDHJINEAOD-UHFFFAOYSA-N 1 0 355.869 4.352 10 0 FIAERO C[C@H]1c2ccsc2CCN1[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042744161 209266409 /nfs/dbraw/zinc/26/64/09/209266409.db2.gz ZIFYOHDYSBVMME-CABZTGNLSA-N 1 0 357.342 4.191 10 0 FIAERO Cc1nc(Oc2ccc(Br)cc2C[NH3+])cc(-c2ccccc2)n1 ZINC000011849528 207326104 /nfs/dbraw/zinc/32/61/04/207326104.db2.gz KNWSAGZFLZSHSY-UHFFFAOYSA-N 1 0 370.250 4.466 10 0 FIAERO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000012306753 207359631 /nfs/dbraw/zinc/35/96/31/207359631.db2.gz MHYOJCCXXFOJOM-HXUWFJFHSA-N 1 0 356.469 4.428 10 0 FIAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccccc1F ZINC000013721646 207479750 /nfs/dbraw/zinc/47/97/50/207479750.db2.gz CPPKISIGYBRNEQ-UHFFFAOYSA-N 1 0 361.457 4.318 10 0 FIAERO CCOc1cc(C[NH2+]CCCCCO)ccc1OCc1ccc(C)cc1 ZINC000013727240 207480264 /nfs/dbraw/zinc/48/02/64/207480264.db2.gz DZVIABSOIDQMSJ-UHFFFAOYSA-N 1 0 357.494 4.225 10 0 FIAERO Cc1ccc(C2=CC[N@H+](CCC(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 ZINC000033884408 208100118 /nfs/dbraw/zinc/10/01/18/208100118.db2.gz PRXOEWWQWRAAGL-UHFFFAOYSA-N 1 0 374.484 4.242 10 0 FIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(I)cc1 ZINC000035540998 208131302 /nfs/dbraw/zinc/13/13/02/208131302.db2.gz APAKMPIJZHDMQK-INIZCTEOSA-N 1 0 351.231 4.299 10 0 FIAERO CCC[NH2+][C@H](c1cccs1)c1cccc(I)c1 ZINC000035581151 208132346 /nfs/dbraw/zinc/13/23/46/208132346.db2.gz YQJSWUVNVSDOHY-AWEZNQCLSA-N 1 0 357.260 4.442 10 0 FIAERO COc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000034682787 208104977 /nfs/dbraw/zinc/10/49/77/208104977.db2.gz NARKAXOBGSFMBU-UHFFFAOYSA-N 1 0 370.493 4.332 10 0 FIAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1cccc(I)c1 ZINC000036904208 208174040 /nfs/dbraw/zinc/17/40/40/208174040.db2.gz WIOKCWXSZJWKMV-SECBINFHSA-N 1 0 357.166 4.242 10 0 FIAERO [NH3+][C@@H]1CCN(c2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000073684132 208190688 /nfs/dbraw/zinc/19/06/88/208190688.db2.gz UQMBGIILWRXQER-QGZVFWFLSA-N 1 0 350.853 4.001 10 0 FIAERO [NH3+]C[C@H](Oc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000042956660 208298920 /nfs/dbraw/zinc/29/89/20/208298920.db2.gz GIBIJZHLOBEWHL-AWEZNQCLSA-N 1 0 371.072 4.290 10 0 FIAERO [NH3+]C[C@@H](Oc1ccccc1Br)c1cccc(Br)c1 ZINC000043023276 208300305 /nfs/dbraw/zinc/30/03/05/208300305.db2.gz OUJFURGDOSKBOU-CQSZACIVSA-N 1 0 371.072 4.290 10 0 FIAERO C[NH+](C)CCCNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875664 524057601 /nfs/dbraw/zinc/05/76/01/524057601.db2.gz ZTFSOEYIURBVBL-UHFFFAOYSA-N 1 0 371.706 4.404 10 0 FIAERO Cc1nnc([C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)c2ccccc2)[nH]1 ZINC000162577320 568034636 /nfs/dbraw/zinc/03/46/36/568034636.db2.gz AZAYCCFMMXRGIX-QUCCMNQESA-N 1 0 360.461 4.239 10 0 FIAERO COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Br ZINC000020927538 568068304 /nfs/dbraw/zinc/06/83/04/568068304.db2.gz JMAYLYIRDOJGMI-UHFFFAOYSA-N 1 0 350.300 4.372 10 0 FIAERO C[C@H](c1ccc2ccccc2c1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106128507 568720911 /nfs/dbraw/zinc/72/09/11/568720911.db2.gz LEHIFIPEKQZWIK-LJQANCHMSA-N 1 0 362.521 4.194 10 0 FIAERO Clc1ccc(OCc2ccccc2)c(C[NH2+]CCCn2ccnc2)c1 ZINC000010314048 570699935 /nfs/dbraw/zinc/69/99/35/570699935.db2.gz PTCDIRZVCHAGHJ-UHFFFAOYSA-N 1 0 355.869 4.295 10 0 FIAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccc(F)cc1 ZINC000013721643 570786856 /nfs/dbraw/zinc/78/68/56/570786856.db2.gz FUQFVUXXVLNYRB-UHFFFAOYSA-N 1 0 361.457 4.318 10 0 FIAERO COCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000013722626 570786859 /nfs/dbraw/zinc/78/68/59/570786859.db2.gz SGZRVHMRYGEOND-UHFFFAOYSA-N 1 0 367.848 4.193 10 0 FIAERO O=C1CCCN1CCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013727564 570787557 /nfs/dbraw/zinc/78/75/57/570787557.db2.gz RCUKLWZXFPTVHB-UHFFFAOYSA-N 1 0 372.896 4.021 10 0 FIAERO O=C1CCCN1CCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000013727413 570787668 /nfs/dbraw/zinc/78/76/68/570787668.db2.gz RWZTUBNCODBRKD-UHFFFAOYSA-N 1 0 372.896 4.021 10 0 FIAERO CCOc1cc(C[NH2+]C)cc(Br)c1OCc1ccc(C)cc1 ZINC000019777895 570873329 /nfs/dbraw/zinc/87/33/29/570873329.db2.gz MHEZAYYXOFMEPX-UHFFFAOYSA-N 1 0 364.283 4.455 10 0 FIAERO Cc1cc(Br)ccc1[C@@H]1C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675054728 571175815 /nfs/dbraw/zinc/17/58/15/571175815.db2.gz PCKZAOLZTGTTTG-ZFWWWQNUSA-N 1 0 369.303 4.157 10 0 FIAERO C[N@@H+]1CCCC[C@@H]1CCc1ccccc1NC(=O)/C=C/c1ccc(O)cc1 ZINC000077303360 571277741 /nfs/dbraw/zinc/27/77/41/571277741.db2.gz ATWQNFCHQINGLW-MBNYPGIVSA-N 1 0 364.489 4.461 10 0 in-vitro FIAERO CN1CC[C@@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 ZINC000328633555 571325380 /nfs/dbraw/zinc/32/53/80/571325380.db2.gz MDVSYMTULHYHOG-YJBOKZPZSA-N 1 0 367.390 4.022 10 0 FIAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(SC(F)F)cc1 ZINC000155932527 1086607080 /nfs/dbraw/zinc/60/70/80/1086607080.db2.gz MEBOMBAATJQURU-ZDUSSCGKSA-N 1 0 364.465 4.111 10 0 FIAERO CC(C)(C)c1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc1Cl ZINC000329602262 1087075216 /nfs/dbraw/zinc/07/52/16/1087075216.db2.gz XYAJGCMTLAACPR-CJNGLKHVSA-N 1 0 361.873 4.223 10 0 FIAERO CC(C)(C)c1ccc2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)[nH]c2c1 ZINC000329747409 1087254273 /nfs/dbraw/zinc/25/42/73/1087254273.db2.gz ZIWFRVDPXMGLEA-YJBOKZPZSA-N 1 0 366.465 4.051 10 0 FIAERO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc4cc(Cl)ccc4o3)n1)OC2 ZINC000329565068 1094974650 /nfs/dbraw/zinc/97/46/50/1094974650.db2.gz HECGBIOWMSAMRS-CRAIPNDOSA-N 1 0 359.813 4.062 10 0 FIAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(F)c(Cl)cc3Cl)n1)OC2 ZINC000329616192 1095004268 /nfs/dbraw/zinc/00/42/68/1095004268.db2.gz SJLQSULEJQZNES-XJKSGUPXSA-N 1 0 372.227 4.108 10 0 FIAERO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(Cl)sc3Cl)n1)OC2 ZINC000329658648 1095059856 /nfs/dbraw/zinc/05/98/56/1095059856.db2.gz HHXOTFLZFUSMNF-XPTSAGLGSA-N 1 0 360.266 4.031 10 0 FIAERO Cc1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc2n1 ZINC000074329804 1099364056 /nfs/dbraw/zinc/36/40/56/1099364056.db2.gz OVOQGRWADDDEBD-UHFFFAOYSA-N 1 0 365.521 4.158 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000246544535 1099368479 /nfs/dbraw/zinc/36/84/79/1099368479.db2.gz WDXYJBFCGLLPMQ-ZTENYAIWSA-N 1 0 362.564 4.433 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc1SC ZINC000246581362 1099370443 /nfs/dbraw/zinc/37/04/43/1099370443.db2.gz YQJKHOVFLKLENT-YEWWUXTCSA-N 1 0 353.553 4.122 10 0 FIAERO Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246850230 1099377359 /nfs/dbraw/zinc/37/73/59/1099377359.db2.gz PCCBZIASWFYFMA-GHTZIAJQSA-N 1 0 369.553 4.006 10 0 FIAERO Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246850271 1099377434 /nfs/dbraw/zinc/37/74/34/1099377434.db2.gz PCCBZIASWFYFMA-RXVVDRJESA-N 1 0 369.553 4.006 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000247920384 1099394999 /nfs/dbraw/zinc/39/49/99/1099394999.db2.gz BCOUIUQHGDRLRI-BIENJYKASA-N 1 0 363.427 4.060 10 0 FIAERO Cc1cccc(-c2nc(CC(=O)Nc3ccc([C@H](C)[NH3+])cc3)cs2)c1 ZINC000178256814 1101520376 /nfs/dbraw/zinc/52/03/76/1101520376.db2.gz FABGZPRAOYJMIH-AWEZNQCLSA-N 1 0 351.475 4.319 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2F)c2ccc(F)cc2C1 ZINC000184513956 1101657431 /nfs/dbraw/zinc/65/74/31/1101657431.db2.gz UCCUMNYJGUJMSX-CWTRNNRKSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]C2CC(c3ccccc3C)C2)c2ccc(F)cc2C1 ZINC000184529684 1101659902 /nfs/dbraw/zinc/65/99/02/1101659902.db2.gz ACKVOHMLOFPNRS-VBVCHWQCSA-N 1 0 366.480 4.463 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184538526 1101661469 /nfs/dbraw/zinc/66/14/69/1101661469.db2.gz MOTCLQOHZLUOFV-FKIZINRSSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184535788 1101661825 /nfs/dbraw/zinc/66/18/25/1101661825.db2.gz NYFDRZMNMZITBO-NYHFZMIOSA-N 1 0 372.459 4.369 10 0 FIAERO COc1ccc([C@@H](C)C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185350765 1101693963 /nfs/dbraw/zinc/69/39/63/1101693963.db2.gz HLSWTHAIAFKPRW-NYHFZMIOSA-N 1 0 370.468 4.021 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2F)c2ccc(F)cc2C1 ZINC000185353006 1101694745 /nfs/dbraw/zinc/69/47/45/1101694745.db2.gz ODPATSIIMPITEB-IBGZPJMESA-N 1 0 364.823 4.201 10 0 FIAERO COc1c(C)cc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1C ZINC000185354663 1101696488 /nfs/dbraw/zinc/69/64/88/1101696488.db2.gz BSACYACADNQWDY-NRFANRHFSA-N 1 0 370.468 4.034 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2C)c2ccc(F)cc2C1 ZINC000191503535 1101944663 /nfs/dbraw/zinc/94/46/63/1101944663.db2.gz JRBWNNHCILXPOT-QKKBWIMNSA-N 1 0 372.488 4.056 10 0 FIAERO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)s1 ZINC000092767389 1102528238 /nfs/dbraw/zinc/52/82/38/1102528238.db2.gz UMVANDBFAYMGRB-ZDUSSCGKSA-N 1 0 365.568 4.022 10 0 FIAERO C[C@H](c1ccccc1)[NH+]1CCC(N[C@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000195037517 1103079674 /nfs/dbraw/zinc/07/96/74/1103079674.db2.gz RQVCTLXCVSULES-OXQOHEQNSA-N 1 0 366.534 4.376 10 0 FIAERO Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1Cl ZINC000245493680 1103140927 /nfs/dbraw/zinc/14/09/27/1103140927.db2.gz MADNJDZAIIVECH-NVXWUHKLSA-N 1 0 372.900 4.076 10 0 FIAERO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cnn1-c1ccccn1 ZINC000121828560 1107065815 /nfs/dbraw/zinc/06/58/15/1107065815.db2.gz LDTBTIGQDXKMPE-IRXDYDNUSA-N 1 0 372.476 4.173 10 0 FIAERO CC(=O)N1CC[C@H](Nc2cc[nH+]c3cc(F)ccc23)c2ccc(F)cc2C1 ZINC000302211625 1107340924 /nfs/dbraw/zinc/34/09/24/1107340924.db2.gz ZNTFOPFROPGIIG-FQEVSTJZSA-N 1 0 367.399 4.418 10 0 FIAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463187971 1118017368 /nfs/dbraw/zinc/01/73/68/1118017368.db2.gz ABLCVNLFPWZVAM-VIZSFHNOSA-N 1 0 352.522 4.234 10 0 FIAERO CCOc1ccc(C)cc1[C@@H]([NH3+])c1cccc(I)c1 ZINC000051599013 209380062 /nfs/dbraw/zinc/38/00/62/209380062.db2.gz FJVFSBQGNCDOHX-INIZCTEOSA-N 1 0 367.230 4.046 10 0 FIAERO Cc1csc(-c2nc3sc(C[N@H+]4[C@H](C)CCC[C@@H]4C)cc3c(N)n2)n1 ZINC000118590699 209348747 /nfs/dbraw/zinc/34/87/47/209348747.db2.gz JWUSYBDXQVHORB-TXEJJXNPSA-N 1 0 373.551 4.468 10 0 FIAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)s1)c1cccc(Br)c1 ZINC000043025090 209273578 /nfs/dbraw/zinc/27/35/78/209273578.db2.gz FFMRYFZKDFOJIC-RYUDHWBXSA-N 1 0 358.330 4.180 10 0 FIAERO Cc1ccc([C@@H](Oc2cccc(I)c2)[C@H](C)[NH3+])cc1 ZINC000042911533 209270173 /nfs/dbraw/zinc/27/01/73/209270173.db2.gz PPRWJDZKHFKFDD-LRDDRELGSA-N 1 0 367.230 4.067 10 0 FIAERO Cc1ccc([C@H](Oc2ccc(I)cc2)[C@H](C)[NH3+])cc1 ZINC000042911513 209268963 /nfs/dbraw/zinc/26/89/63/209268963.db2.gz AIFNTVLSWZUIBK-BLLLJJGKSA-N 1 0 367.230 4.067 10 0 FIAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1cccc(I)c1 ZINC000104180794 209259364 /nfs/dbraw/zinc/25/93/64/209259364.db2.gz LYICUAAFZKSMIU-MRXNPFEDSA-N 1 0 351.231 4.103 10 0 FIAERO CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000007998902 207216489 /nfs/dbraw/zinc/21/64/89/207216489.db2.gz JUBNVWGVNWIXMB-IRXDYDNUSA-N 1 0 355.309 4.472 10 0 FIAERO O=C(CCC(F)(F)F)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000011814258 207321793 /nfs/dbraw/zinc/32/17/93/207321793.db2.gz YOIUNGPOCDGFNX-SFHVURJKSA-N 1 0 360.464 4.224 10 0 FIAERO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000012306755 207357568 /nfs/dbraw/zinc/35/75/68/207357568.db2.gz MHYOJCCXXFOJOM-FQEVSTJZSA-N 1 0 356.469 4.428 10 0 FIAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1ccccc1I ZINC000035468141 208125758 /nfs/dbraw/zinc/12/57/58/208125758.db2.gz SLKPXCVNKILDCU-INIZCTEOSA-N 1 0 351.231 4.217 10 0 FIAERO CCc1ccc([C@@H]([NH2+]C)c2cccc(I)c2)s1 ZINC000035460709 208125844 /nfs/dbraw/zinc/12/58/44/208125844.db2.gz MLWYBPKOZLUASJ-AWEZNQCLSA-N 1 0 357.260 4.224 10 0 FIAERO C[NH2+][C@@H](C)c1ccc(Oc2ccccc2I)cc1 ZINC000035454503 208126850 /nfs/dbraw/zinc/12/68/50/208126850.db2.gz NYUHDJSFKNDELP-NSHDSACASA-N 1 0 353.203 4.364 10 0 FIAERO CCC[NH2+][C@@H](c1cccs1)c1ccccc1I ZINC000035581182 208132800 /nfs/dbraw/zinc/13/28/00/208132800.db2.gz KKVXDASNZCYJCB-CQSZACIVSA-N 1 0 357.260 4.442 10 0 FIAERO CCC[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000034991530 208118119 /nfs/dbraw/zinc/11/81/19/208118119.db2.gz OBXFKRFFZJJHEH-VIFPVBQESA-N 1 0 365.109 4.498 10 0 FIAERO Clc1cccc(-c2nc(-c3ccccc3)cc(N3CCC[NH2+]CC3)n2)c1 ZINC000073663402 208188941 /nfs/dbraw/zinc/18/89/41/208188941.db2.gz IYZUOGSMCNQJKD-UHFFFAOYSA-N 1 0 364.880 4.264 10 0 FIAERO CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685285 208189361 /nfs/dbraw/zinc/18/93/61/208189361.db2.gz WUUPRWQCRPZGOC-OAHLLOKOSA-N 1 0 364.415 4.197 10 0 FIAERO CCN(c1cccc2ccccc21)c1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040702101 208263246 /nfs/dbraw/zinc/26/32/46/208263246.db2.gz ITPATSFOOXDSOX-UHFFFAOYSA-N 1 0 350.470 4.085 10 0 FIAERO CN1CCSC1=CC1=CC2=CC(=CC3=[N+](C)CCS3)CC[C@H]2CC1 ZINC000039440250 208312572 /nfs/dbraw/zinc/31/25/72/208312572.db2.gz NMHCUPVPTDIUMM-UHFFFAOYSA-N 1 0 359.584 4.277 10 0 FIAERO [NH3+]C[C@H](Oc1ccccc1I)c1ccc(Cl)cc1 ZINC000042949591 208297960 /nfs/dbraw/zinc/29/79/60/208297960.db2.gz LCXGIOPQNOEPJM-AWEZNQCLSA-N 1 0 373.621 4.023 10 0 FIAERO Cc1ccc(C[C@@H]([NH3+])c2ccccc2I)cc1C ZINC000053139470 208443125 /nfs/dbraw/zinc/44/31/25/208443125.db2.gz FQNHPIHIILCIOI-MRXNPFEDSA-N 1 0 351.231 4.151 10 0 FIAERO C[N@H+]1Cc2cc(-c3ccc(N)nn3)ccc2[C@H](c2ccc3ccccc3c2)C1 ZINC000095598450 209083040 /nfs/dbraw/zinc/08/30/40/209083040.db2.gz VCIBGDSRPUOBOG-QFIPXVFZSA-N 1 0 366.468 4.456 10 0 in-man FIAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000014932432 567914629 /nfs/dbraw/zinc/91/46/29/567914629.db2.gz DEQBUWPGWGXNGV-QWHCGFSZSA-N 1 0 362.857 4.035 10 0 FIAERO CCOc1cc(C[NH2+]CCCOC)ccc1OCc1ccccc1Cl ZINC000013722291 570786778 /nfs/dbraw/zinc/78/67/78/570786778.db2.gz BZHRJRJQNOXEKP-UHFFFAOYSA-N 1 0 363.885 4.444 10 0 FIAERO COCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000013722608 570786834 /nfs/dbraw/zinc/78/68/34/570786834.db2.gz GHRSWBXBFHOKSX-UHFFFAOYSA-N 1 0 363.885 4.362 10 0 FIAERO OCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013727049 570787606 /nfs/dbraw/zinc/78/76/06/570787606.db2.gz PHGUTHWSBYAJRU-UHFFFAOYSA-N 1 0 351.849 4.310 10 0 FIAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000013725886 570787671 /nfs/dbraw/zinc/78/76/71/570787671.db2.gz USEKSTUSZURUFW-SFHVURJKSA-N 1 0 368.521 4.091 10 0 FIAERO CC[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000020581548 570920560 /nfs/dbraw/zinc/92/05/60/570920560.db2.gz RRICEEFFTWBCDU-JLTOFOAXSA-N 1 0 366.461 4.207 10 0 FIAERO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022936307 570954000 /nfs/dbraw/zinc/95/40/00/570954000.db2.gz VOEISFPDQSWYKH-HXUWFJFHSA-N 1 0 358.913 4.493 10 0 FIAERO Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(F)c1 ZINC000020135745 571143912 /nfs/dbraw/zinc/14/39/12/571143912.db2.gz ZENDNQVNJDIBFH-UHFFFAOYSA-N 1 0 361.464 4.320 10 0 FIAERO Cc1cc(Br)ccc1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053989 571157986 /nfs/dbraw/zinc/15/79/86/571157986.db2.gz LEDHDJYTHXGCJD-HIFRSBDPSA-N 1 0 369.303 4.075 10 0 FIAERO Cc1cc(Br)ccc1[C@H]1C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675054719 571175763 /nfs/dbraw/zinc/17/57/63/571175763.db2.gz PCKZAOLZTGTTTG-DZGCQCFKSA-N 1 0 369.303 4.157 10 0 FIAERO COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000152008416 1084497858 /nfs/dbraw/zinc/49/78/58/1084497858.db2.gz JVIWKCBGKQNBTD-ZFWWWQNUSA-N 1 0 370.478 4.142 10 0 FIAERO Cc1c2cc(Cl)ccc2oc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329566408 1087045339 /nfs/dbraw/zinc/04/53/39/1087045339.db2.gz HNGVMVIOGRGZDU-BEFAXECRSA-N 1 0 373.840 4.370 10 0 FIAERO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000107245820 1090251096 /nfs/dbraw/zinc/25/10/96/1090251096.db2.gz XTNVOPHUSZBQQJ-IAGOWNOFSA-N 1 0 367.320 4.184 10 0 FIAERO C[C@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000163407379 1091870350 /nfs/dbraw/zinc/87/03/50/1091870350.db2.gz CRUYTJOVCMMKGN-OAHLLOKOSA-N 1 0 368.443 4.286 10 0 FIAERO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000112521057 1092027996 /nfs/dbraw/zinc/02/79/96/1092027996.db2.gz VTTMBPAIJWYGPV-CYBMUJFWSA-N 1 0 366.383 4.254 10 0 FIAERO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)o2)cc1C ZINC000248119509 1092367995 /nfs/dbraw/zinc/36/79/95/1092367995.db2.gz NEROAWMFERKOLA-MDKPJZGXSA-N 1 0 355.482 4.041 10 0 FIAERO Cc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)sc2cccc(F)c12 ZINC000329472714 1094925363 /nfs/dbraw/zinc/92/53/63/1094925363.db2.gz BFILITLGSZWTLY-BFUOFWGJSA-N 1 0 373.453 4.325 10 0 FIAERO Cc1cc2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)oc2cc1C ZINC000329687320 1095124908 /nfs/dbraw/zinc/12/49/08/1095124908.db2.gz VELFUGQRAFRHQG-FXAWDEMLSA-N 1 0 353.422 4.025 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1OC(F)(F)F ZINC000246364303 1099292479 /nfs/dbraw/zinc/29/24/79/1099292479.db2.gz IUFXZJBOYWUSBV-ZENOOKHLSA-N 1 0 361.429 4.291 10 0 FIAERO CC(=O)Nc1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246782441 1099375231 /nfs/dbraw/zinc/37/52/31/1099375231.db2.gz QFTQYIIRTSONOU-UYAOXDASSA-N 1 0 356.466 4.106 10 0 FIAERO COc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000076394141 1099415176 /nfs/dbraw/zinc/41/51/76/1099415176.db2.gz YTIAPGBMUZYGMH-RLFYNMQTSA-N 1 0 364.449 4.079 10 0 FIAERO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178053677 1101515823 /nfs/dbraw/zinc/51/58/23/1101515823.db2.gz VLBLGLIAXQYQIT-OAHLLOKOSA-N 1 0 353.495 4.014 10 0 FIAERO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cncn1)CCCS2 ZINC000178054306 1101515907 /nfs/dbraw/zinc/51/59/07/1101515907.db2.gz MWQLKURDJRTHDD-INIZCTEOSA-N 1 0 371.897 4.033 10 0 FIAERO CC(C)(C)C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)cc1 ZINC000181504732 1101594840 /nfs/dbraw/zinc/59/48/40/1101594840.db2.gz WBOMYFLTDMAJPI-SFHVURJKSA-N 1 0 353.445 4.069 10 0 FIAERO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1OC ZINC000184509277 1101657150 /nfs/dbraw/zinc/65/71/50/1101657150.db2.gz MEOJVSSVAHEUHI-RTWAWAEBSA-N 1 0 370.468 4.369 10 0 FIAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1F ZINC000184513205 1101657385 /nfs/dbraw/zinc/65/73/85/1101657385.db2.gz QFJJXLHSHUTZGD-XCLFUZPHSA-N 1 0 374.431 4.118 10 0 FIAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(F)c1 ZINC000184518871 1101658516 /nfs/dbraw/zinc/65/85/16/1101658516.db2.gz GQNLBCNWAATJLM-ASSNKEHSSA-N 1 0 374.431 4.118 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2F)c2ccc(F)cc2C1 ZINC000184528815 1101659907 /nfs/dbraw/zinc/65/99/07/1101659907.db2.gz OLPLUOYGOPRUJB-MPBGBICISA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC(C)C)c2)c2ccc(F)cc2C1 ZINC000185365625 1101696805 /nfs/dbraw/zinc/69/68/05/1101696805.db2.gz IGDMZXDBIAXRFX-JOCHJYFZSA-N 1 0 370.468 4.196 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cnn(C(C)C)c2C)c2ccc(F)cc2C1 ZINC000191503520 1101944265 /nfs/dbraw/zinc/94/42/65/1101944265.db2.gz JRBWNNHCILXPOT-SZNDQCEHSA-N 1 0 372.488 4.056 10 0 FIAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000116495934 1102556311 /nfs/dbraw/zinc/55/63/11/1102556311.db2.gz MRJKHKJYEYFQHV-KSSFIOAISA-N 1 0 374.435 4.051 10 0 FIAERO CCOc1ccccc1NC(=O)CC[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000136926565 1102992689 /nfs/dbraw/zinc/99/26/89/1102992689.db2.gz JGMPQZXHTCRWKV-UHFFFAOYSA-N 1 0 373.522 4.058 10 0 FIAERO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H]3CCC(=O)NC34CCC4)o2)cc1C ZINC000328686320 1104537538 /nfs/dbraw/zinc/53/75/38/1104537538.db2.gz GFPASZNSNXNYSF-GOEBONIOSA-N 1 0 354.454 4.046 10 0 FIAERO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccccc4)o3)C2)n1 ZINC000195330854 1105160079 /nfs/dbraw/zinc/16/00/79/1105160079.db2.gz YGFQZTKICFZRKS-GOEBONIOSA-N 1 0 354.479 4.442 10 0 FIAERO CC[C@@H]([NH3+])[C@@H](Sc1nccc(C)n1)c1cc(Br)cs1 ZINC000051331367 209372686 /nfs/dbraw/zinc/37/26/86/209372686.db2.gz IOYVRGNCCZWPMK-ZYHUDNBSSA-N 1 0 358.330 4.180 10 0 FIAERO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(COc4ccc(F)cc4)o3)C2)cc1 ZINC000049170413 209333592 /nfs/dbraw/zinc/33/35/92/209333592.db2.gz OPHCYRNTZXTVIH-KRWDZBQOSA-N 1 0 367.424 4.086 10 0 FIAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1csc(Br)c1 ZINC000043105889 209273936 /nfs/dbraw/zinc/27/39/36/209273936.db2.gz ICXFGZLWCIURLY-RISCZKNCSA-N 1 0 359.358 4.483 10 0 FIAERO CC[C@H]([NH3+])[C@H](c1cccs1)N(C)Cc1csc(Br)c1 ZINC000043105891 209273182 /nfs/dbraw/zinc/27/31/82/209273182.db2.gz ICXFGZLWCIURLY-SMDDNHRTSA-N 1 0 359.358 4.483 10 0 FIAERO Cc1ccccc1[C@H](Oc1ccccc1I)[C@H](C)[NH3+] ZINC000043040240 209273276 /nfs/dbraw/zinc/27/32/76/209273276.db2.gz KWESMSOMQYWBBJ-BLLLJJGKSA-N 1 0 367.230 4.067 10 0 FIAERO Cc1cccc([C@@H](Oc2cccc(I)c2)[C@@H](C)[NH3+])c1 ZINC000042969129 209272328 /nfs/dbraw/zinc/27/23/28/209272328.db2.gz MTUQJFZHFBLJLI-WBMJQRKESA-N 1 0 367.230 4.067 10 0 FIAERO Cc1cccc([C@@H](Oc2ccccc2I)[C@H](C)[NH3+])c1 ZINC000042969245 209272232 /nfs/dbraw/zinc/27/22/32/209272232.db2.gz MFCYTIKLAKKQJA-LRDDRELGSA-N 1 0 367.230 4.067 10 0 FIAERO CCOc1ccc2c(c1)OC(C)(C)[C@H](c1ccc(OC)c(OC)c1)[C@H]2[NH3+] ZINC000011849246 207325284 /nfs/dbraw/zinc/32/52/84/207325284.db2.gz GAASUIDUXCJIGL-UXHICEINSA-N 1 0 357.450 4.057 10 0 FIAERO C[NH2+][C@H](c1cccc(I)c1)c1cc(C)ccc1C ZINC000035489567 208126626 /nfs/dbraw/zinc/12/66/26/208126626.db2.gz HYAZRXBSXIFWDU-MRXNPFEDSA-N 1 0 351.231 4.217 10 0 FIAERO CCc1ccc([C@@H]([NH2+]C)c2ccccc2I)s1 ZINC000035460782 208127310 /nfs/dbraw/zinc/12/73/10/208127310.db2.gz WYABHEQAKVABDD-AWEZNQCLSA-N 1 0 357.260 4.224 10 0 FIAERO [NH3+]Cc1c(Cl)cccc1Oc1ccc(I)cc1 ZINC000034962931 208117758 /nfs/dbraw/zinc/11/77/58/208117758.db2.gz OXIZQYGHVTWGSO-UHFFFAOYSA-N 1 0 359.594 4.196 10 0 FIAERO CC[C@H](C)[NH2+]CC(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000037395318 208180393 /nfs/dbraw/zinc/18/03/93/208180393.db2.gz ZJSVPPUXGZLMBK-ZETCQYMHSA-N 1 0 354.075 4.083 10 0 FIAERO CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N[C@H]1CCC[NH2+]C1 ZINC000073685282 208190384 /nfs/dbraw/zinc/19/03/84/208190384.db2.gz QXDDANOWSWTHRJ-HNNXBMFYSA-N 1 0 364.415 4.197 10 0 FIAERO Clc1ccc2c(c1)nc(Cc1ccccc1)n2CCC[NH+]1CCOCC1 ZINC000040406023 208251953 /nfs/dbraw/zinc/25/19/53/208251953.db2.gz YPPDTQWCQMJMPY-UHFFFAOYSA-N 1 0 369.896 4.003 10 0 FIAERO [NH3+]C[C@@H](Oc1cccc(Br)c1)c1ccc(Br)cc1 ZINC000042956859 208297801 /nfs/dbraw/zinc/29/78/01/208297801.db2.gz OZIZMUNVELWUDM-CQSZACIVSA-N 1 0 371.072 4.290 10 0 FIAERO [NH3+]C[C@H](Oc1ccccc1I)c1cccc(Cl)c1 ZINC000043018660 208300534 /nfs/dbraw/zinc/30/05/34/208300534.db2.gz ZHOYSWMBFYONGZ-AWEZNQCLSA-N 1 0 373.621 4.023 10 0 FIAERO Clc1cccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3cccnc3)n2)c1 ZINC000073662948 526973400 /nfs/dbraw/zinc/97/34/00/526973400.db2.gz DVKJPHLEIRZDTA-UHFFFAOYSA-N 1 0 365.868 4.023 10 0 FIAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000275462973 527472309 /nfs/dbraw/zinc/47/23/09/527472309.db2.gz HFYSOVDQDFNKIZ-GJZGRUSLSA-N 1 0 373.806 4.102 10 0 FIAERO Cc1nnc([C@@H](N[C@@H](C)c2sc(C(C)C)nc2C)c2ccccc2)[nH]1 ZINC000162497509 568031238 /nfs/dbraw/zinc/03/12/38/568031238.db2.gz NUIPMGDAPAWYBY-LRDDRELGSA-N 1 0 355.511 4.442 10 0 FIAERO CCOc1ccc(C[NH2+]Cc2ccccc2OC)cc1Br ZINC000013720822 570786721 /nfs/dbraw/zinc/78/67/21/570786721.db2.gz CWOSSBZFBFLORW-UHFFFAOYSA-N 1 0 350.256 4.146 10 0 FIAERO Cc1cc(-c2ccc(C[NH2+]CCCCCO)o2)ccc1Br ZINC000013727262 570787535 /nfs/dbraw/zinc/78/75/35/570787535.db2.gz ZJZSBZDLBNQAEV-UHFFFAOYSA-N 1 0 352.272 4.270 10 0 FIAERO O=C1CCCN1CCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000013727416 570787678 /nfs/dbraw/zinc/78/76/78/570787678.db2.gz NTWHHZGWVGNWLG-UHFFFAOYSA-N 1 0 372.896 4.021 10 0 FIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022935983 570953687 /nfs/dbraw/zinc/95/36/87/570953687.db2.gz IOMDCDAPIRPLQY-FQEVSTJZSA-N 1 0 358.913 4.493 10 0 FIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000022935969 570953938 /nfs/dbraw/zinc/95/39/38/570953938.db2.gz PAHGJPXNNYKNBY-IBGZPJMESA-N 1 0 358.913 4.493 10 0 FIAERO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000311877529 571102125 /nfs/dbraw/zinc/10/21/25/571102125.db2.gz VRWXWAWFVLQHBW-AZUAARDMSA-N 1 0 370.468 4.318 10 0 FIAERO Fc1ccc(-c2cc([C@H]3CC[N@H+](Cc4cncnc4)C3)ccn2)cc1Cl ZINC000065394422 571142783 /nfs/dbraw/zinc/14/27/83/571142783.db2.gz DRSIXPYKJLNVCS-KRWDZBQOSA-N 1 0 368.843 4.321 10 0 FIAERO COc1cccc(NC(=S)Nc2ccccc2C[n+]2cccc(C)c2)c1 ZINC000048523334 571308668 /nfs/dbraw/zinc/30/86/68/571308668.db2.gz ZSSXMGATLVVYGL-UHFFFAOYSA-O 1 0 364.494 4.148 10 0 FIAERO Clc1ncc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000328606293 571323968 /nfs/dbraw/zinc/32/39/68/571323968.db2.gz QZFBVUHUQUTXFG-CQSZACIVSA-N 1 0 353.944 4.002 10 0 FIAERO CC(C)c1noc([C@H]([NH2+]C2CC(c3ccccc3F)C2)C2CCOCC2)n1 ZINC000328627915 571324880 /nfs/dbraw/zinc/32/48/80/571324880.db2.gz NDOYCTPJQLRWLE-LADRWXRNSA-N 1 0 373.472 4.336 10 0 FIAERO CN1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628417 571325004 /nfs/dbraw/zinc/32/50/04/571325004.db2.gz HFFHCSNWRCFRMJ-FKVLARQCSA-N 1 0 353.485 4.139 10 0 FIAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000329464562 1086977192 /nfs/dbraw/zinc/97/71/92/1086977192.db2.gz UTECWXYLGIHBCZ-PEVDHWGLSA-N 1 0 355.482 4.114 10 0 FIAERO Cc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)sc2cccc(F)c12 ZINC000329472720 1094924981 /nfs/dbraw/zinc/92/49/81/1094924981.db2.gz BFILITLGSZWTLY-ORAYPTAESA-N 1 0 373.453 4.325 10 0 FIAERO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc4cc(Cl)ccc4o3)n1)OC2 ZINC000329565069 1094975141 /nfs/dbraw/zinc/97/51/41/1094975141.db2.gz HECGBIOWMSAMRS-MAUKXSAKSA-N 1 0 359.813 4.062 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c2ccc(F)cc2C1 ZINC000248657826 1099405689 /nfs/dbraw/zinc/40/56/89/1099405689.db2.gz XOEIXELIZMPNTK-GBLZOACLSA-N 1 0 356.441 4.125 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccccc2)c2ccc(F)cc2C1 ZINC000248702603 1099407565 /nfs/dbraw/zinc/40/75/65/1099407565.db2.gz GMFFPBXJOKHQRL-VVBPWWLESA-N 1 0 354.469 4.401 10 0 FIAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000173990666 1101386770 /nfs/dbraw/zinc/38/67/70/1101386770.db2.gz QJHNQMRXOARULT-LSDHHAIUSA-N 1 0 363.461 4.056 10 0 FIAERO Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Cl ZINC000081091919 1101409175 /nfs/dbraw/zinc/40/91/75/1101409175.db2.gz MADNJDZAIIVECH-DOTOQJQBSA-N 1 0 372.900 4.076 10 0 FIAERO C[C@@H]([NH3+])c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 ZINC000178215703 1101520720 /nfs/dbraw/zinc/52/07/20/1101520720.db2.gz DKHYFDAPKSEEBT-CYBMUJFWSA-N 1 0 353.397 4.072 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)nc2)c2ccc(F)cc2C1 ZINC000184516510 1101657045 /nfs/dbraw/zinc/65/70/45/1101657045.db2.gz YWZWNAYMYLJRHO-KZULUSFZSA-N 1 0 361.848 4.018 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1F ZINC000184526745 1101658625 /nfs/dbraw/zinc/65/86/25/1101658625.db2.gz WDCGDYVMFHHJBI-RNODOKPDSA-N 1 0 374.431 4.118 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]CC[C@H](C)c2ccccc2)c2ccc(F)cc2C1 ZINC000186374714 1101767485 /nfs/dbraw/zinc/76/74/85/1101767485.db2.gz MJAFWHRZHCNUQE-AOMKIAJQSA-N 1 0 354.469 4.402 10 0 FIAERO c1csc([C@@H]2CCC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)n1 ZINC000092788934 1102533009 /nfs/dbraw/zinc/53/30/09/1102533009.db2.gz HNZFJBGNFULTKF-MRXNPFEDSA-N 1 0 352.463 4.105 10 0 FIAERO O=C1CC[C@@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C2(CCC2)N1 ZINC000328765380 1104553333 /nfs/dbraw/zinc/55/33/33/1104553333.db2.gz PDPBYJJHISAAQQ-LSDHHAIUSA-N 1 0 353.388 4.109 10 0 FIAERO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328729189 1104558308 /nfs/dbraw/zinc/55/83/08/1104558308.db2.gz HGCSQZAZCOBPHQ-LJIZCISZSA-N 1 0 361.511 4.121 10 0 FIAERO Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000328983194 1104612347 /nfs/dbraw/zinc/61/23/47/1104612347.db2.gz FMUOJWMZHSLKOE-OIISXLGYSA-N 1 0 359.857 4.098 10 0 FIAERO CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000167976893 1106902403 /nfs/dbraw/zinc/90/24/03/1106902403.db2.gz YRJPRJZOVVFBQN-HOTGVXAUSA-N 1 0 358.461 4.268 10 0 FIAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Cl)sc1Cl ZINC000155899843 1112349636 /nfs/dbraw/zinc/34/96/36/1112349636.db2.gz CFHHTLPAFKCHDR-SNVBAGLBSA-N 1 0 357.310 4.165 10 0 FIAERO CC[C@H]([NH3+])[C@H](c1cccs1)N(C)Cc1cc(Br)cs1 ZINC000043105985 209274019 /nfs/dbraw/zinc/27/40/19/209274019.db2.gz MDAMURNGWXGFEY-GXTWGEPZSA-N 1 0 359.358 4.483 10 0 FIAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc(C)s1)c1ccc(Br)cc1 ZINC000042959669 209270800 /nfs/dbraw/zinc/27/08/00/209270800.db2.gz FCFKVFOWUDHHID-NEPJUHHUSA-N 1 0 358.330 4.180 10 0 FIAERO C[C@@H]1c2ccsc2CCN1[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042744159 209266204 /nfs/dbraw/zinc/26/62/04/209266204.db2.gz ZIFYOHDYSBVMME-SKDRFNHKSA-N 1 0 357.342 4.191 10 0 FIAERO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N=C(C)c1ccccc1S2 ZINC000006727931 207157287 /nfs/dbraw/zinc/15/72/87/207157287.db2.gz RQGCJWATEVAIEA-UHFFFAOYSA-N 1 0 367.518 4.364 10 0 FIAERO C[NH2+][C@@H](c1ccc2c(c1)CCC2)c1cccc(I)c1 ZINC000035496887 207191288 /nfs/dbraw/zinc/19/12/88/207191288.db2.gz CARZSXFSWJCLEV-QGZVFWFLSA-N 1 0 363.242 4.089 10 0 FIAERO CCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010474669 207302007 /nfs/dbraw/zinc/30/20/07/207302007.db2.gz ZASUEHDQTBVCTM-UHFFFAOYSA-N 1 0 363.885 4.444 10 0 FIAERO CCOc1c(C[NH2+]Cc2ccc(F)cc2)cc(Br)cc1OC ZINC000010475210 207302268 /nfs/dbraw/zinc/30/22/68/207302268.db2.gz YLDSYCMUCZTMRZ-UHFFFAOYSA-N 1 0 368.246 4.285 10 0 FIAERO c1cc(C[NH+]2CCC(n3c([C@@H]4CCCO4)nc4cccnc43)CC2)cs1 ZINC000012213045 207348517 /nfs/dbraw/zinc/34/85/17/207348517.db2.gz JVEZPCXBWOEGIM-SFHVURJKSA-N 1 0 368.506 4.181 10 0 FIAERO CC[NH+](CC)CCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000013734423 207481868 /nfs/dbraw/zinc/48/18/68/207481868.db2.gz JPHLBBIQRJETPB-UHFFFAOYSA-N 1 0 370.537 4.404 10 0 FIAERO CCc1ccc([C@H]([NH2+]C)c2ccccc2I)s1 ZINC000035460779 208125732 /nfs/dbraw/zinc/12/57/32/208125732.db2.gz WYABHEQAKVABDD-CQSZACIVSA-N 1 0 357.260 4.224 10 0 FIAERO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034683276 208104014 /nfs/dbraw/zinc/10/40/14/208104014.db2.gz CGCQPHQVYCISDJ-UHFFFAOYSA-N 1 0 364.445 4.492 10 0 FIAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccc(I)cc1 ZINC000034962923 208116735 /nfs/dbraw/zinc/11/67/35/208116735.db2.gz DRSZNDDCAHWVBH-SECBINFHSA-N 1 0 357.166 4.242 10 0 FIAERO COc1cc(Br)c([C@@H]([NH3+])c2ccc(Cl)cc2)cc1OC ZINC000034940142 208116776 /nfs/dbraw/zinc/11/67/76/208116776.db2.gz BHQWVOIEACJOCV-HNNXBMFYSA-N 1 0 356.647 4.168 10 0 FIAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(I)cc2)c(F)c1 ZINC000036904125 208173149 /nfs/dbraw/zinc/17/31/49/208173149.db2.gz FYJSCSHMIFETGI-SECBINFHSA-N 1 0 357.166 4.242 10 0 FIAERO Clc1ccc2nc(Cc3ccccc3)n(CCC[NH+]3CCOCC3)c2c1 ZINC000040406020 208252781 /nfs/dbraw/zinc/25/27/81/208252781.db2.gz RJETWSDZHJKVSL-UHFFFAOYSA-N 1 0 369.896 4.003 10 0 FIAERO [NH3+]C[C@H](Oc1ccccc1I)c1ccccc1Cl ZINC000043088517 208300854 /nfs/dbraw/zinc/30/08/54/208300854.db2.gz HNPAVCQMBSWQIM-AWEZNQCLSA-N 1 0 373.621 4.023 10 0 FIAERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(I)c1)c1cccs1 ZINC000043111237 208302927 /nfs/dbraw/zinc/30/29/27/208302927.db2.gz CJPHTMDXFMJGIR-TZMCWYRMSA-N 1 0 373.259 4.210 10 0 FIAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1ccccc1Cl ZINC000095077404 209017912 /nfs/dbraw/zinc/01/79/12/209017912.db2.gz NLRDNKMCCCAUFU-DLBZAZTESA-N 1 0 354.885 4.420 10 0 FIAERO CC[NH+](CC)CCNCc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020874004 520686513 /nfs/dbraw/zinc/68/65/13/520686513.db2.gz GSDQHLKRPUGTTD-UHFFFAOYSA-N 1 0 356.510 4.014 10 0 FIAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@H]2CCCO2)o1 ZINC000020875905 526159581 /nfs/dbraw/zinc/15/95/81/526159581.db2.gz FUNYOBXABBXLEA-CQSZACIVSA-N 1 0 350.256 4.286 10 0 FIAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@@H]2CCCO2)o1 ZINC000020875902 526160782 /nfs/dbraw/zinc/16/07/82/526160782.db2.gz FUNYOBXABBXLEA-AWEZNQCLSA-N 1 0 350.256 4.286 10 0 FIAERO Fc1cccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)c1 ZINC000073684286 526381443 /nfs/dbraw/zinc/38/14/43/526381443.db2.gz OOHDUUBTNWWOKY-UHFFFAOYSA-N 1 0 362.452 4.361 10 0 FIAERO Cc1nnc([C@H](N[C@H](C)c2sc(C(C)C)nc2C)c2ccccc2)[nH]1 ZINC000162497606 568031242 /nfs/dbraw/zinc/03/12/42/568031242.db2.gz NUIPMGDAPAWYBY-MLGOLLRUSA-N 1 0 355.511 4.442 10 0 FIAERO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCN(c3ccccc3)C[C@H]2C)cc1C ZINC000012297386 568102017 /nfs/dbraw/zinc/10/20/17/568102017.db2.gz APINLRPTQLXRGW-LJQANCHMSA-N 1 0 360.505 4.404 10 0 FIAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCCn2ccnc2)o1 ZINC000010314134 570699759 /nfs/dbraw/zinc/69/97/59/570699759.db2.gz ZBTNNOOWQSZKET-UHFFFAOYSA-N 1 0 374.282 4.394 10 0 FIAERO CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](Cc1cccs1)CC2 ZINC000275746164 570724409 /nfs/dbraw/zinc/72/44/09/570724409.db2.gz PYNMATGQBYDSIH-SFHVURJKSA-N 1 0 360.548 4.213 10 0 FIAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCCCCO)o1 ZINC000013727265 570787585 /nfs/dbraw/zinc/78/75/85/570787585.db2.gz JKHZQXBQGNTTDE-UHFFFAOYSA-N 1 0 352.272 4.270 10 0 FIAERO Cc1ncc2c(c1-c1noc(-c3ccco3)n1)CC[N@H+](C1CCCC1)C2 ZINC000020109504 570910537 /nfs/dbraw/zinc/91/05/37/570910537.db2.gz DMDQQZSUMCRXMQ-UHFFFAOYSA-N 1 0 350.422 4.001 10 0 FIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000022935966 570953857 /nfs/dbraw/zinc/95/38/57/570953857.db2.gz PAHGJPXNNYKNBY-LJQANCHMSA-N 1 0 358.913 4.493 10 0 FIAERO Cc1ccc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1Br ZINC000675054743 571175947 /nfs/dbraw/zinc/17/59/47/571175947.db2.gz PCUSMUWXLWTXKK-UKRRQHHQSA-N 1 0 369.303 4.157 10 0 FIAERO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000299805574 571203787 /nfs/dbraw/zinc/20/37/87/571203787.db2.gz VHQSLLZPQOHFAQ-WOJBJXKFSA-N 1 0 370.468 4.318 10 0 FIAERO CN1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)[C@@H]1c1cccnc1 ZINC000328622343 571324528 /nfs/dbraw/zinc/32/45/28/571324528.db2.gz BDTFIVWVPSVYLU-AVRDEDQJSA-N 1 0 363.461 4.250 10 0 FIAERO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1Cl ZINC000329602264 1087075573 /nfs/dbraw/zinc/07/55/73/1087075573.db2.gz XYAJGCMTLAACPR-XJKSGUPXSA-N 1 0 361.873 4.223 10 0 FIAERO Clc1cccc(C2(c3nc([C@H]4CN5CCC[C@@H]5CO4)no3)CCCC2)c1 ZINC000329703818 1088979612 /nfs/dbraw/zinc/97/96/12/1088979612.db2.gz IMGOWRGHNIQBDB-IAGOWNOFSA-N 1 0 373.884 4.119 10 0 FIAERO Cc1cc2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)oc2cc1C ZINC000329687328 1095124122 /nfs/dbraw/zinc/12/41/22/1095124122.db2.gz VELFUGQRAFRHQG-XLIONFOSSA-N 1 0 353.422 4.025 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c(Br)c1 ZINC000246397655 1099313960 /nfs/dbraw/zinc/31/39/60/1099313960.db2.gz LKAAYGMDHRSQHX-GHJWDPDVSA-N 1 0 374.319 4.294 10 0 FIAERO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000246500222 1099365879 /nfs/dbraw/zinc/36/58/79/1099365879.db2.gz SNNIJHSGRLLUMQ-JCGVRSQUSA-N 1 0 371.930 4.063 10 0 FIAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000246597957 1099370312 /nfs/dbraw/zinc/37/03/12/1099370312.db2.gz ZZAGREPCJBFHTM-IYOUNJFTSA-N 1 0 357.466 4.302 10 0 FIAERO Cc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246655569 1099371087 /nfs/dbraw/zinc/37/10/87/1099371087.db2.gz ZXFQZSWTTVEICF-QAPCUYQASA-N 1 0 372.900 4.076 10 0 FIAERO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000247148925 1099384973 /nfs/dbraw/zinc/38/49/73/1099384973.db2.gz WWCJFCUGYLWIKI-ZLGUVYLKSA-N 1 0 366.461 4.214 10 0 FIAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)[C@@H](C)C1 ZINC000248199278 1099396215 /nfs/dbraw/zinc/39/62/15/1099396215.db2.gz NENMBLIGWNJMBP-HNAYVOBHSA-N 1 0 370.497 4.152 10 0 FIAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)[C@@H](C)C1 ZINC000248199479 1099398386 /nfs/dbraw/zinc/39/83/86/1099398386.db2.gz NENMBLIGWNJMBP-KXBFYZLASA-N 1 0 370.497 4.152 10 0 FIAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000248024690 1099399308 /nfs/dbraw/zinc/39/93/08/1099399308.db2.gz ONWZSECAUMFHEX-RZFNWQHOSA-N 1 0 361.489 4.264 10 0 FIAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(-c2cccs2)cc1 ZINC000178049336 1101516101 /nfs/dbraw/zinc/51/61/01/1101516101.db2.gz OGLOHHVOOQVKGF-OAHLLOKOSA-N 1 0 361.474 4.242 10 0 FIAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc2ccccc2n1 ZINC000178404286 1101531343 /nfs/dbraw/zinc/53/13/43/1101531343.db2.gz UNWSOFXARFUMRA-LQWHRVPQSA-N 1 0 360.505 4.191 10 0 FIAERO Cc1c([C@@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)cnn1-c1ccccn1 ZINC000179967603 1101569187 /nfs/dbraw/zinc/56/91/87/1101569187.db2.gz FPDFHCBEARCFLW-KUHUBIRLSA-N 1 0 366.440 4.279 10 0 FIAERO Cc1cc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)ccc1Br ZINC000180085972 1101571512 /nfs/dbraw/zinc/57/15/12/1101571512.db2.gz ZOEHANYLIUEDOE-AWEZNQCLSA-N 1 0 371.282 4.189 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2F)c2ccc(F)cc2C1 ZINC000184513939 1101656967 /nfs/dbraw/zinc/65/69/67/1101656967.db2.gz UCCUMNYJGUJMSX-HXPMCKFVSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000184509598 1101657033 /nfs/dbraw/zinc/65/70/33/1101657033.db2.gz SFOHDWCSSZPJGZ-NYHFZMIOSA-N 1 0 372.459 4.369 10 0 FIAERO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184511323 1101657269 /nfs/dbraw/zinc/65/72/69/1101657269.db2.gz LQTJZRAZABQKTR-UNMCSNQZSA-N 1 0 354.469 4.230 10 0 FIAERO CSCc1ccccc1NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000184812425 1101672187 /nfs/dbraw/zinc/67/21/87/1101672187.db2.gz HIPPGBAXSZHUGH-UHFFFAOYSA-N 1 0 370.522 4.044 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)c2ccc(F)cc2C1 ZINC000189688618 1101893977 /nfs/dbraw/zinc/89/39/77/1101893977.db2.gz BHYMGDYVEWXCRU-LJQANCHMSA-N 1 0 364.823 4.201 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cnn(C(C)C)c2C)c2ccc(F)cc2C1 ZINC000191503489 1101944532 /nfs/dbraw/zinc/94/45/32/1101944532.db2.gz JRBWNNHCILXPOT-SPLOXXLWSA-N 1 0 372.488 4.056 10 0 FIAERO COc1ccc([C@H]([NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000091402017 1102388216 /nfs/dbraw/zinc/38/82/16/1102388216.db2.gz XIJJJXHOOOSSNH-GAJHUEQPSA-N 1 0 365.521 4.357 10 0 FIAERO CC(C)C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000126126988 1102697727 /nfs/dbraw/zinc/69/77/27/1102697727.db2.gz DLHXCQXCAVNPIQ-CBQOVEMMSA-N 1 0 352.526 4.064 10 0 FIAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000194518424 1103072308 /nfs/dbraw/zinc/07/23/08/1103072308.db2.gz OQDNZOWIUFHXSK-LLVKDONJSA-N 1 0 364.276 4.378 10 0 FIAERO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328740454 1104547497 /nfs/dbraw/zinc/54/74/97/1104547497.db2.gz NDUFSLKBBOXSRB-CWVYHPPDSA-N 1 0 361.511 4.121 10 0 FIAERO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccccc4)o3)C2)n1 ZINC000195330862 1105160186 /nfs/dbraw/zinc/16/01/86/1105160186.db2.gz YGFQZTKICFZRKS-HOCLYGCPSA-N 1 0 354.479 4.442 10 0 FIAERO COc1ccc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1NC(C)=O ZINC000168451886 1109361436 /nfs/dbraw/zinc/36/14/36/1109361436.db2.gz PYLZSHQCFPNGRM-AWEZNQCLSA-N 1 0 373.522 4.035 10 0 FIAERO COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1NC(C)=O ZINC000168451991 1109361531 /nfs/dbraw/zinc/36/15/31/1109361531.db2.gz PYLZSHQCFPNGRM-CQSZACIVSA-N 1 0 373.522 4.035 10 0 FIAERO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000000643035 210256441 /nfs/dbraw/zinc/25/64/41/210256441.db2.gz VQLPLYSROCPWFF-MSOLQXFVSA-N 1 0 369.336 4.401 10 0 FIAERO Clc1ccc(Cc2nc3ccccc3n2CCC[NH+]2CCOCC2)cc1 ZINC000040389833 211742704 /nfs/dbraw/zinc/74/27/04/211742704.db2.gz RJJVVUFPHHEIQC-UHFFFAOYSA-N 1 0 369.896 4.003 10 0 FIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000022935962 211372089 /nfs/dbraw/zinc/37/20/89/211372089.db2.gz JZPRONCOSKAOGM-HXUWFJFHSA-N 1 0 358.913 4.493 10 0 FIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000022936928 211371959 /nfs/dbraw/zinc/37/19/59/211371959.db2.gz QWOQKYZKQAGNLK-LJQANCHMSA-N 1 0 358.913 4.493 10 0 FIAERO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OC)c(Cl)c2)cc1OC ZINC000020928347 211301314 /nfs/dbraw/zinc/30/13/14/211301314.db2.gz LGQSKWPNCIFQIN-UHFFFAOYSA-N 1 0 370.276 4.352 10 0 FIAERO C[N@H+](CCNc1ncnc2onc(-c3ccc(F)cc3)c21)C1CCCCC1 ZINC000020574500 211288306 /nfs/dbraw/zinc/28/83/06/211288306.db2.gz AKGCIAKENXLROT-UHFFFAOYSA-N 1 0 369.444 4.100 10 0 FIAERO CCc1ccc(-n2cc(C[NH3+])c(-c3ccc(Br)cc3)n2)cc1 ZINC000020390812 211277738 /nfs/dbraw/zinc/27/77/38/211277738.db2.gz QJCWTYXVEXCHMR-UHFFFAOYSA-N 1 0 356.267 4.323 10 0 FIAERO Cc1cc(C)c([C@H]([NH3+])c2ccccc2I)c(C)c1 ZINC000019968707 211263465 /nfs/dbraw/zinc/26/34/65/211263465.db2.gz LGPTUXGEKCHFDJ-MRXNPFEDSA-N 1 0 351.231 4.265 10 0 FIAERO CCCC[NH+](CCCC)CCCNCc1cc(OC)c(OC)c(OC)c1 ZINC000013733722 211054310 /nfs/dbraw/zinc/05/43/10/211054310.db2.gz RGAHYMZTIQFRFC-UHFFFAOYSA-N 1 0 366.546 4.094 10 0 FIAERO COc1cccc(C[NH2+]CCCCCO)c1OCc1ccccc1Cl ZINC000013726880 211053772 /nfs/dbraw/zinc/05/37/72/211053772.db2.gz HUQQYSKPMUDPIT-UHFFFAOYSA-N 1 0 363.885 4.180 10 0 FIAERO CCOc1cc(C[NH2+]CCc2ccccc2OC)cc(Cl)c1OCC ZINC000013719006 211052371 /nfs/dbraw/zinc/05/23/71/211052371.db2.gz RQWXVCOJOANJKU-UHFFFAOYSA-N 1 0 363.885 4.478 10 0 FIAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1cccc(C)c1 ZINC000013721889 211051809 /nfs/dbraw/zinc/05/18/09/211051809.db2.gz IURXLKBDTYUDJR-UHFFFAOYSA-N 1 0 357.494 4.487 10 0 FIAERO CCOc1cccc(C[NH2+]C(C)(C)CO)c1OCc1ccccc1Cl ZINC000013717424 211051722 /nfs/dbraw/zinc/05/17/22/211051722.db2.gz UFUYYVGAIIHJKQ-UHFFFAOYSA-N 1 0 363.885 4.178 10 0 FIAERO CN1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C2)C1=O ZINC000012586132 210971794 /nfs/dbraw/zinc/97/17/94/210971794.db2.gz KGVDTEDAJNKJHD-FQEVSTJZSA-N 1 0 358.869 4.044 10 0 FIAERO Cc1ccccc1[C@H](Oc1cccc(I)c1)[C@H](C)[NH3+] ZINC000043040104 220944442 /nfs/dbraw/zinc/94/44/42/220944442.db2.gz DBOFBZSUKSGXRH-BLLLJJGKSA-N 1 0 367.230 4.067 10 0 FIAERO CC[C@H]([NH3+])[C@@H](Sc1nccc(C)n1)c1cc(Br)cs1 ZINC000051331366 221035701 /nfs/dbraw/zinc/03/57/01/221035701.db2.gz IOYVRGNCCZWPMK-CMPLNLGQSA-N 1 0 358.330 4.180 10 0 FIAERO CC[N@@H+]1CCC[C@@](C(=O)Nc2cccc(OC)c2)(c2ccccc2)CC1 ZINC000065226040 221183033 /nfs/dbraw/zinc/18/30/33/221183033.db2.gz VIKDKGCJUZEWAB-QFIPXVFZSA-N 1 0 352.478 4.078 10 0 FIAERO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000311877531 518840470 /nfs/dbraw/zinc/84/04/70/518840470.db2.gz VRWXWAWFVLQHBW-ICSRJNTNSA-N 1 0 370.468 4.318 10 0 FIAERO Clc1cccc(N2CCN([C@@H]3CCC[N@H+](CC4CCCC4)C3)CC2)c1 ZINC000020598306 526981127 /nfs/dbraw/zinc/98/11/27/526981127.db2.gz ICQGCQVOSJJVTL-OAQYLSRUSA-N 1 0 361.961 4.117 10 0 FIAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1F ZINC000228489175 568081135 /nfs/dbraw/zinc/08/11/35/568081135.db2.gz TWPGILKLBRLQMV-HYVNUMGLSA-N 1 0 356.279 4.104 10 0 FIAERO CCOc1c(C[NH2+]Cc2ccc(C)cc2)cc(Br)cc1OC ZINC000010475380 570701195 /nfs/dbraw/zinc/70/11/95/570701195.db2.gz HZPRFJLJIHXYLN-UHFFFAOYSA-N 1 0 364.283 4.455 10 0 FIAERO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH+](Cc1cccs1)CC2 ZINC000275746155 570724509 /nfs/dbraw/zinc/72/45/09/570724509.db2.gz PYNMATGQBYDSIH-GOSISDBHSA-N 1 0 360.548 4.213 10 0 FIAERO CC(C)Oc1c(Br)cc(C[NH2+]C2CC2)cc1Br ZINC000040730558 571093897 /nfs/dbraw/zinc/09/38/97/571093897.db2.gz DAAILRHNPPQJCY-UHFFFAOYSA-N 1 0 363.093 4.251 10 0 FIAERO Cc1ccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1Br ZINC000675052798 571148251 /nfs/dbraw/zinc/14/82/51/571148251.db2.gz FHKRODVOCLKWRJ-UKRRQHHQSA-N 1 0 369.303 4.075 10 0 FIAERO Cc1cc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)ccc1Br ZINC000675055432 571271275 /nfs/dbraw/zinc/27/12/75/571271275.db2.gz SHNDNEBZTWPRTH-ZFWWWQNUSA-N 1 0 369.303 4.075 10 0 FIAERO CCOC(=O)[C@H]1CCC[N@H+](CC2c3ccccc3CCc3ccccc32)C1 ZINC000048545056 571308794 /nfs/dbraw/zinc/30/87/94/571308794.db2.gz ULSGITODFCMBKQ-FQEVSTJZSA-N 1 0 363.501 4.192 10 0 FIAERO O=C1CC[C@@H]2C[N@H+](C3CCCCCC3)CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000299773282 571338455 /nfs/dbraw/zinc/33/84/55/571338455.db2.gz CRLXLKRGNALNQJ-NQIIRXRSSA-N 1 0 358.501 4.361 10 0 FIAERO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000329464561 1086977335 /nfs/dbraw/zinc/97/73/35/1086977335.db2.gz UTECWXYLGIHBCZ-HFPIOELMSA-N 1 0 355.482 4.114 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)ccc1F ZINC000246420954 1099343674 /nfs/dbraw/zinc/34/36/74/1099343674.db2.gz NFWXYFJYMDMTQC-RBOXIYTFSA-N 1 0 374.319 4.294 10 0 FIAERO CCO[C@@H](C)c1noc(CNc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)n1 ZINC000076701450 1099427352 /nfs/dbraw/zinc/42/73/52/1099427352.db2.gz AJYHMNGMQJJPTM-GJZGRUSLSA-N 1 0 358.486 4.139 10 0 FIAERO CC1CCN(c2ccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)CC1 ZINC000079654040 1099775281 /nfs/dbraw/zinc/77/52/81/1099775281.db2.gz IRZXVFNEKBBCKW-UHFFFAOYSA-N 1 0 370.541 4.015 10 0 FIAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Oc2ccccc2)cc1 ZINC000178054483 1101515756 /nfs/dbraw/zinc/51/57/56/1101515756.db2.gz JZTWPUPQWGHSFP-KRWDZBQOSA-N 1 0 371.444 4.305 10 0 FIAERO Cc1ncc(-c2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)o1 ZINC000182722792 1101616387 /nfs/dbraw/zinc/61/63/87/1101616387.db2.gz KFCJEUXGKHGOCJ-KKSFZXQISA-N 1 0 362.477 4.368 10 0 FIAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1F ZINC000184513154 1101656872 /nfs/dbraw/zinc/65/68/72/1101656872.db2.gz QFJJXLHSHUTZGD-RNODOKPDSA-N 1 0 374.431 4.118 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2C)c2ccc(F)cc2C1 ZINC000184516754 1101658610 /nfs/dbraw/zinc/65/86/10/1101658610.db2.gz LGHPSXBYOPUXRW-OPAMFIHVSA-N 1 0 354.469 4.148 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)c2ccc(F)cc2C1 ZINC000184518351 1101659335 /nfs/dbraw/zinc/65/93/35/1101659335.db2.gz BBVZRCTVYYJTSO-RTWAWAEBSA-N 1 0 356.416 4.035 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccc(F)cc2C1 ZINC000184517050 1101659691 /nfs/dbraw/zinc/65/96/91/1101659691.db2.gz OWELLJHGJHVZND-YADHBBJMSA-N 1 0 352.453 4.286 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccccc2F)c2ccc(F)cc2C1 ZINC000184532550 1101659774 /nfs/dbraw/zinc/65/97/74/1101659774.db2.gz KXBSJYSJIMWANY-QRQCRPRQSA-N 1 0 372.459 4.369 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184535750 1101661162 /nfs/dbraw/zinc/66/11/62/1101661162.db2.gz NYFDRZMNMZITBO-OYHNWAKOSA-N 1 0 372.459 4.369 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)oc3ccccc32)c2ccc(F)cc2C1 ZINC000185606567 1101742527 /nfs/dbraw/zinc/74/25/27/1101742527.db2.gz OWWUZOGCWWLTQI-OAQYLSRUSA-N 1 0 366.436 4.463 10 0 FIAERO O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000125915480 1102692792 /nfs/dbraw/zinc/69/27/92/1102692792.db2.gz LOTYVRYOUXEAPF-UHFFFAOYSA-N 1 0 360.807 4.059 10 0 FIAERO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000129111462 1102777160 /nfs/dbraw/zinc/77/71/60/1102777160.db2.gz GDRBWWJECWLOQV-RTBURBONSA-N 1 0 354.498 4.027 10 0 FIAERO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000129111034 1102778148 /nfs/dbraw/zinc/77/81/48/1102778148.db2.gz GDRBWWJECWLOQV-MOPGFXCFSA-N 1 0 354.498 4.027 10 0 FIAERO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nccs4)C3)co2)cc1 ZINC000195344704 1103092883 /nfs/dbraw/zinc/09/28/83/1103092883.db2.gz XRKVFHQJLSJUIQ-HNNXBMFYSA-N 1 0 355.463 4.186 10 0 FIAERO [NH3+]C[C@H](Oc1ccc(Br)cc1Br)c1ccccc1 ZINC000053586723 211919182 /nfs/dbraw/zinc/91/91/82/211919182.db2.gz YXQCATWGMWRGLG-AWEZNQCLSA-N 1 0 371.072 4.290 10 0 FIAERO Clc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccncc3)n2)cc1 ZINC000073663008 211688477 /nfs/dbraw/zinc/68/84/77/211688477.db2.gz UHGHDJWBVZUISG-UHFFFAOYSA-N 1 0 365.868 4.023 10 0 FIAERO C[C@H](C[NH2+]C1CC(c2ccccc2Br)C1)N1CCCCC1 ZINC000038028933 211358820 /nfs/dbraw/zinc/35/88/20/211358820.db2.gz FUXPDSTZUSGMMR-QQFBHYJXSA-N 1 0 351.332 4.159 10 0 FIAERO CC(C)C[C@H]([NH3+])C(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000020505968 211284192 /nfs/dbraw/zinc/28/41/92/211284192.db2.gz NOQWKHOUMCRXLO-JTQLQIEISA-N 1 0 354.075 4.068 10 0 FIAERO COc1cc(C[NH2+]C2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731355 211053402 /nfs/dbraw/zinc/05/34/02/211053402.db2.gz KZRIKUXMOYLQHM-UHFFFAOYSA-N 1 0 368.477 4.053 10 0 FIAERO COc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccc(C)cc1 ZINC000013722020 211052585 /nfs/dbraw/zinc/05/25/85/211052585.db2.gz JDGYSLCMGZVJEL-UHFFFAOYSA-N 1 0 357.494 4.487 10 0 FIAERO CCCCOCCC[NH2+]Cc1cc(Br)cc(OC)c1OCC ZINC000013720151 211052542 /nfs/dbraw/zinc/05/25/42/211052542.db2.gz IPUBLVQOJZPKCW-UHFFFAOYSA-N 1 0 374.319 4.153 10 0 FIAERO CCOc1cccc(C[NH2+][C@H](CC)CO)c1OCc1ccc(Cl)cc1 ZINC000013717460 211051852 /nfs/dbraw/zinc/05/18/52/211051852.db2.gz JFTFRKCRSAXVHU-GOSISDBHSA-N 1 0 363.885 4.178 10 0 FIAERO COc1cc2c(cc1O)C[C@@H](CC1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000013449465 211033722 /nfs/dbraw/zinc/03/37/22/211033722.db2.gz DSMISVLYMKJMLP-LJQANCHMSA-N 1 0 365.473 4.058 10 0 endogenous,world FIAERO CC[C@H]([NH3+])[C@@H](Sc1cc(C)nn1C)c1ccc(Br)s1 ZINC000052309165 221038477 /nfs/dbraw/zinc/03/84/77/221038477.db2.gz QSZYVLBZIJMZIX-TVQRCGJNSA-N 1 0 360.346 4.123 10 0 FIAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000057382145 221087333 /nfs/dbraw/zinc/08/73/33/221087333.db2.gz KIINYAVPPQDDTK-LLVKDONJSA-N 1 0 367.674 4.392 10 0 FIAERO CC(C)c1nccc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)n1 ZINC000065385783 221208140 /nfs/dbraw/zinc/20/81/40/221208140.db2.gz HBPAUNFOFUOSPW-IBGZPJMESA-N 1 0 359.477 4.047 10 0 FIAERO Clc1cccc(-c2ccc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)o2)c1 ZINC000011754229 132851107 /nfs/dbraw/zinc/85/11/07/132851107.db2.gz CWVKCZCPOZWHQD-QGZVFWFLSA-N 1 0 368.868 4.149 10 0 FIAERO CNc1c2cc(I)ccc2[nH+]c2c1CCCCC2 ZINC000103972633 222347035 /nfs/dbraw/zinc/34/70/35/222347035.db2.gz NICYBHOGAATTCS-UHFFFAOYSA-N 1 0 352.219 4.150 10 0 FIAERO CCCCC[NH2+]CCOc1c(Br)cccc1Br ZINC000103998383 222348722 /nfs/dbraw/zinc/34/87/22/222348722.db2.gz PXTCJEPPKRAPBB-UHFFFAOYSA-N 1 0 365.109 4.370 10 0 FIAERO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccc(C)cc1 ZINC000020874313 520720138 /nfs/dbraw/zinc/72/01/38/520720138.db2.gz XHIBXWVEUJROLD-FQEVSTJZSA-N 1 0 355.478 4.241 10 0 FIAERO C[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2F)C[C@H]1c1ccccc1 ZINC000244700933 523908855 /nfs/dbraw/zinc/90/88/55/523908855.db2.gz JWTOCCWKJCWSII-SFHVURJKSA-N 1 0 352.375 4.333 10 0 FIAERO CSc1ccc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1F ZINC000162524933 568027512 /nfs/dbraw/zinc/02/75/12/568027512.db2.gz DNUPAOQBSSCBTE-XIKOKIGWSA-N 1 0 356.470 4.414 10 0 FIAERO Cc1nnc([C@@H](N[C@@H](C)c2ccc(OC(F)F)cc2)c2ccccc2)[nH]1 ZINC000162611022 568048086 /nfs/dbraw/zinc/04/80/86/568048086.db2.gz RRTYSLHMJKFAPJ-SJCJKPOMSA-N 1 0 358.392 4.155 10 0 FIAERO CC[C@](COCc1cc(OC)c(OC)c(OC)c1)(c1ccccc1)[NH+](C)C ZINC000003777397 570568062 /nfs/dbraw/zinc/56/80/62/570568062.db2.gz MVKIWCDXKCUDEH-QFIPXVFZSA-N 1 0 373.493 4.096 10 0 in-man FIAERO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000010314052 570699918 /nfs/dbraw/zinc/69/99/18/570699918.db2.gz NWXUNBYWXYPKEG-UHFFFAOYSA-N 1 0 373.859 4.435 10 0 FIAERO Nc1cc(F)ccc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020135559 571143920 /nfs/dbraw/zinc/14/39/20/571143920.db2.gz OJEUNJSDYZIMIT-UHFFFAOYSA-N 1 0 361.464 4.320 10 0 FIAERO CCC[NH2+]Cc1cc(Br)cc(Br)c1OC(C)C ZINC000040729988 571236776 /nfs/dbraw/zinc/23/67/76/571236776.db2.gz XGIKYDLGLMIVOQ-UHFFFAOYSA-N 1 0 365.109 4.498 10 0 FIAERO C[N@@H+](Cc1cccc2cnccc21)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328629046 571325132 /nfs/dbraw/zinc/32/51/32/571325132.db2.gz HVVOSYXQLYKSAB-AWEZNQCLSA-N 1 0 374.410 4.145 10 0 FIAERO CC(C)(C)OCc1cccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000155933271 1086606723 /nfs/dbraw/zinc/60/67/23/1086606723.db2.gz KCMCFUNQTUTKKP-UHFFFAOYSA-N 1 0 367.537 4.151 10 0 FIAERO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000101688116 1087788314 /nfs/dbraw/zinc/78/83/14/1087788314.db2.gz ABGDJKUEZQPEOD-UHFFFAOYSA-N 1 0 373.884 4.004 10 0 FIAERO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246767122 1099375998 /nfs/dbraw/zinc/37/59/98/1099375998.db2.gz WIEAHZAXSGFDOP-SJLPKXTDSA-N 1 0 374.506 4.141 10 0 FIAERO Cc1c(Cl)cccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247040758 1099382012 /nfs/dbraw/zinc/38/20/12/1099382012.db2.gz NXHGINSDJXOKFI-KDOFPFPSSA-N 1 0 372.900 4.076 10 0 FIAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000173990679 1101387690 /nfs/dbraw/zinc/38/76/90/1101387690.db2.gz QJHNQMRXOARULT-HUUCEWRRSA-N 1 0 363.461 4.056 10 0 FIAERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)cc1Cl ZINC000178054511 1101514720 /nfs/dbraw/zinc/51/47/20/1101514720.db2.gz LJIYLHROUGSQSW-INIZCTEOSA-N 1 0 362.264 4.210 10 0 FIAERO CC(C)C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000178058633 1101515659 /nfs/dbraw/zinc/51/56/59/1101515659.db2.gz GBOHDWNNDKJSEZ-GOSISDBHSA-N 1 0 355.873 4.193 10 0 FIAERO COc1cc([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)ccc1SC ZINC000180398051 1101572704 /nfs/dbraw/zinc/57/27/04/1101572704.db2.gz LWGMZRFBWGUWNF-CJNGLKHVSA-N 1 0 356.491 4.194 10 0 FIAERO O=C1Nc2ccccc2[C@@H]1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183740754 1101633260 /nfs/dbraw/zinc/63/32/60/1101633260.db2.gz UXDBIQMDDPIQFT-RXVVDRJESA-N 1 0 361.420 4.026 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2N(C)C)c2ccc(F)cc2C1 ZINC000184513879 1101657707 /nfs/dbraw/zinc/65/77/07/1101657707.db2.gz LQAUTZORYKPLKC-QVKFZJNVSA-N 1 0 369.484 4.036 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2F)c2ccc(F)cc2C1 ZINC000184524240 1101658817 /nfs/dbraw/zinc/65/88/17/1101658817.db2.gz LBTKXONIOPIHTA-YUNKPMOVSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2F)c2ccc(F)cc2C1 ZINC000184524224 1101658978 /nfs/dbraw/zinc/65/89/78/1101658978.db2.gz LBTKXONIOPIHTA-MPBGBICISA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)c2ccc(F)cc2C1 ZINC000184518382 1101659044 /nfs/dbraw/zinc/65/90/44/1101659044.db2.gz BBVZRCTVYYJTSO-SFTDATJTSA-N 1 0 356.416 4.035 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2F)c2ccc(F)cc2C1 ZINC000184532532 1101659063 /nfs/dbraw/zinc/65/90/63/1101659063.db2.gz KXBSJYSJIMWANY-NYHFZMIOSA-N 1 0 372.459 4.369 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)c2ccc(F)cc2C1 ZINC000184519829 1101659272 /nfs/dbraw/zinc/65/92/72/1101659272.db2.gz KXMYRGGTYWJXFP-RTWAWAEBSA-N 1 0 356.416 4.035 10 0 FIAERO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(OC)cc1 ZINC000184524073 1101659821 /nfs/dbraw/zinc/65/98/21/1101659821.db2.gz LNHLAMOEBFGBOG-VXKWHMMOSA-N 1 0 370.468 4.369 10 0 FIAERO COc1ccc([C@H](C)C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185350751 1101694693 /nfs/dbraw/zinc/69/46/93/1101694693.db2.gz HLSWTHAIAFKPRW-IVZQSRNASA-N 1 0 370.468 4.021 10 0 FIAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000186290239 1101761890 /nfs/dbraw/zinc/76/18/90/1101761890.db2.gz NMDWACPVXGYUAF-YVEFUNNKSA-N 1 0 362.470 4.040 10 0 FIAERO COc1ccc([C@@H]([NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000091402021 1102388135 /nfs/dbraw/zinc/38/81/35/1102388135.db2.gz XIJJJXHOOOSSNH-SBUREZEXSA-N 1 0 365.521 4.357 10 0 FIAERO COc1ccc([C@@H]([NH2+]C2CCN([C@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000091402022 1102388399 /nfs/dbraw/zinc/38/83/99/1102388399.db2.gz XIJJJXHOOOSSNH-HXOBKFHXSA-N 1 0 365.521 4.357 10 0 FIAERO COCCc1nc(C)c([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000245579700 1103227403 /nfs/dbraw/zinc/22/74/03/1103227403.db2.gz AVZBLRRSMZCLPD-KVSKMBFKSA-N 1 0 360.523 4.211 10 0 FIAERO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1nccs1 ZINC000245616214 1103269845 /nfs/dbraw/zinc/26/98/45/1103269845.db2.gz VHIWSKCNJBWSMX-RBOXIYTFSA-N 1 0 353.894 4.279 10 0 FIAERO CC[NH2+]Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 ZINC000123370921 1108058486 /nfs/dbraw/zinc/05/84/86/1108058486.db2.gz DSERBDCPLPQTOG-UHFFFAOYSA-N 1 0 367.424 4.162 10 0 FIAERO COc1cccc(-c2csc(N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000026416606 210242136 /nfs/dbraw/zinc/24/21/36/210242136.db2.gz UJCPIAKYLHLASK-UHFFFAOYSA-N 1 0 365.502 4.141 10 0 FIAERO CN1CC[C@@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)[C@@H]1c1cccnc1 ZINC000328622373 210114125 /nfs/dbraw/zinc/11/41/25/210114125.db2.gz BFSPVMRHSZTEIX-UWJYYQICSA-N 1 0 366.896 4.066 10 0 FIAERO CSCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012705874 220018048 /nfs/dbraw/zinc/01/80/48/220018048.db2.gz OMWJXXOFRAPHIT-FQEVSTJZSA-N 1 0 352.588 4.024 10 0 FIAERO Cc1nc(-c2cccc(C[N@H+]3CCC[C@H]3C)c2)[nH]c(=O)c1Cc1ccccc1 ZINC000023369385 211387800 /nfs/dbraw/zinc/38/78/00/211387800.db2.gz PYJLJSRVOMJZBX-QGZVFWFLSA-N 1 0 373.500 4.320 10 0 FIAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc(Br)s1 ZINC000038001947 211345037 /nfs/dbraw/zinc/34/50/37/211345037.db2.gz UYURAKAOOLKPKF-TZMCWYRMSA-N 1 0 353.329 4.464 10 0 FIAERO CCc1nnc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3CC(C)C)s2)s1 ZINC000020778016 211295459 /nfs/dbraw/zinc/29/54/59/211295459.db2.gz VSBYSKGYALWIQC-GFCCVEGCSA-N 1 0 364.540 4.207 10 0 FIAERO CC[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000020581556 211287544 /nfs/dbraw/zinc/28/75/44/211287544.db2.gz RRICEEFFTWBCDU-VLIAUNLRSA-N 1 0 366.461 4.207 10 0 FIAERO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]C2CSCCSC2)cc1C ZINC000015063728 211117433 /nfs/dbraw/zinc/11/74/33/211117433.db2.gz XDXAOYHLQDMTKC-LJQANCHMSA-N 1 0 373.591 4.305 10 0 FIAERO COc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccccc1F ZINC000013721655 211052555 /nfs/dbraw/zinc/05/25/55/211052555.db2.gz XNVQJQTVRXZJSX-UHFFFAOYSA-N 1 0 361.457 4.318 10 0 FIAERO CC(C)=CC[NH+]1CCC(Nc2ccc(I)cc2)CC1 ZINC000037247648 211075143 /nfs/dbraw/zinc/07/51/43/211075143.db2.gz JQKVRTQLGQFJLM-UHFFFAOYSA-N 1 0 370.278 4.134 10 0 FIAERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)n1nc(C)c(Cl)c1C ZINC000050586107 221032036 /nfs/dbraw/zinc/03/20/36/221032036.db2.gz XPXWLXIMULATNB-RNCFNFMXSA-N 1 0 362.724 4.304 10 0 FIAERO CN(Cc1csc(Br)c1)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794200 221140919 /nfs/dbraw/zinc/14/09/19/221140919.db2.gz TYGLRWNVEORXSF-UHFFFAOYSA-N 1 0 358.692 4.084 10 0 FIAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc(I)cc1 ZINC000103978759 222347257 /nfs/dbraw/zinc/34/72/57/222347257.db2.gz ZQXAWHOBYCIKMU-VUCTXSBTSA-N 1 0 363.242 4.498 10 0 FIAERO CC[C@H]([NH3+])Cc1ccc(Oc2ccc(I)cc2)cc1 ZINC000104300070 222356051 /nfs/dbraw/zinc/35/60/51/222356051.db2.gz ZBLFHZPZFVLMQR-AWEZNQCLSA-N 1 0 367.230 4.363 10 0 FIAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000228488279 568079964 /nfs/dbraw/zinc/07/99/64/568079964.db2.gz FHYVOBTZZAHJCK-YESZJQIVSA-N 1 0 356.279 4.104 10 0 FIAERO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](CCc2cccs2)C[C@@H]1C ZINC000005458875 570658560 /nfs/dbraw/zinc/65/85/60/570658560.db2.gz SRARDYUHGVMEQI-FXAWDEMLSA-N 1 0 356.535 4.444 10 0 in-man FIAERO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccccc1 ZINC000010474461 570701230 /nfs/dbraw/zinc/70/12/30/570701230.db2.gz HXSCOSCCSUQUQN-GOSISDBHSA-N 1 0 361.869 4.196 10 0 FIAERO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc3nonc32)s1 ZINC000055393183 571120310 /nfs/dbraw/zinc/12/03/10/571120310.db2.gz FFXPHGFBXRWNQI-UHFFFAOYSA-N 1 0 350.447 4.190 10 0 FIAERO Cc1cc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1Br ZINC000675052542 571121071 /nfs/dbraw/zinc/12/10/71/571121071.db2.gz AXQXNLBCDVHLSX-HIFRSBDPSA-N 1 0 369.303 4.157 10 0 FIAERO NC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328603563 571323779 /nfs/dbraw/zinc/32/37/79/571323779.db2.gz GOIVKYIEFFYSEN-GOSISDBHSA-N 1 0 360.461 4.135 10 0 FIAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(SC(F)F)cc1 ZINC000155932646 1086606624 /nfs/dbraw/zinc/60/66/24/1086606624.db2.gz MEBOMBAATJQURU-CYBMUJFWSA-N 1 0 364.465 4.111 10 0 FIAERO c1ccc(C2CCC(c3nc([C@H]4CN5CCC[C@@H]5CO4)no3)CC2)cc1 ZINC000329546698 1087022939 /nfs/dbraw/zinc/02/29/39/1087022939.db2.gz AWDGTWJJPKARCH-CSODTCANSA-N 1 0 353.466 4.047 10 0 FIAERO Cc1c2cc(Cl)ccc2oc1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000329566413 1087045644 /nfs/dbraw/zinc/04/56/44/1087045644.db2.gz HNGVMVIOGRGZDU-HNAYVOBHSA-N 1 0 373.840 4.370 10 0 FIAERO CC[C@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1OC ZINC000162778135 1091803328 /nfs/dbraw/zinc/80/33/28/1091803328.db2.gz SIWYDTNZMXNEHB-FQEVSTJZSA-N 1 0 371.525 4.253 10 0 FIAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(Cl)sc3Cl)n1)OC2 ZINC000329658647 1095061267 /nfs/dbraw/zinc/06/12/67/1095061267.db2.gz HHXOTFLZFUSMNF-OTYXRUKQSA-N 1 0 360.266 4.031 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)cc1Br ZINC000246570428 1099370353 /nfs/dbraw/zinc/37/03/53/1099370353.db2.gz XYEMNKPXRPAUHZ-GHJWDPDVSA-N 1 0 374.319 4.294 10 0 FIAERO c1ncn(-c2ncccc2C[NH2+]Cc2ccc(Sc3ccccc3)cc2)n1 ZINC000179297571 1101554476 /nfs/dbraw/zinc/55/44/76/1101554476.db2.gz KLNDWECUYJGAJI-UHFFFAOYSA-N 1 0 373.485 4.103 10 0 FIAERO O=C1Nc2ccccc2[C@@H]1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183740775 1101633364 /nfs/dbraw/zinc/63/33/64/1101633364.db2.gz UXDBIQMDDPIQFT-GHTZIAJQSA-N 1 0 361.420 4.026 10 0 FIAERO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000184402213 1101649478 /nfs/dbraw/zinc/64/94/78/1101649478.db2.gz KYLJETHILNMVLY-UHFFFAOYSA-N 1 0 373.831 4.034 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)nc2)c2ccc(F)cc2C1 ZINC000184516527 1101658589 /nfs/dbraw/zinc/65/85/89/1101658589.db2.gz YWZWNAYMYLJRHO-SGTLLEGYSA-N 1 0 361.848 4.018 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)c2ccc(F)cc2C1 ZINC000184518360 1101659649 /nfs/dbraw/zinc/65/96/49/1101659649.db2.gz BBVZRCTVYYJTSO-NHCUHLMSSA-N 1 0 356.416 4.035 10 0 FIAERO CSc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185350980 1101694232 /nfs/dbraw/zinc/69/42/32/1101694232.db2.gz VPRSCXHZZFEOMZ-HXUWFJFHSA-N 1 0 358.482 4.131 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)c2ccc(F)cc2C1 ZINC000185353029 1101695045 /nfs/dbraw/zinc/69/50/45/1101695045.db2.gz ODPATSIIMPITEB-LJQANCHMSA-N 1 0 364.823 4.201 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]CCSCc2ccccc2)c2ccc(F)cc2C1 ZINC000186357950 1101767088 /nfs/dbraw/zinc/76/70/88/1101767088.db2.gz PRQDUKSRYRRBTI-NRFANRHFSA-N 1 0 372.509 4.142 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)Cc2ccccc2)c2ccc(F)cc2C1 ZINC000187400131 1101806995 /nfs/dbraw/zinc/80/69/95/1101806995.db2.gz RMRQNTVVIOBYAX-OPAMFIHVSA-N 1 0 354.469 4.087 10 0 FIAERO Cc1c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cccc1C(F)(F)F ZINC000135211473 1102970616 /nfs/dbraw/zinc/97/06/16/1102970616.db2.gz FHWXNKSYLLZPAA-UHFFFAOYSA-N 1 0 355.404 4.106 10 0 FIAERO Cc1cccc([C@H]2CCCN2CC[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000140316903 1103033815 /nfs/dbraw/zinc/03/38/15/1103033815.db2.gz BTAAAGSIKOPPPZ-FGZHOGPDSA-N 1 0 350.510 4.067 10 0 FIAERO Cc1ccc(-c2noc([C@@H](C)Nc3ccc4c(c3)C[N@@H+](C)C4)n2)cc1F ZINC000194510512 1103071266 /nfs/dbraw/zinc/07/12/66/1103071266.db2.gz RPMVHHLFBKNGQC-CYBMUJFWSA-N 1 0 352.413 4.303 10 0 FIAERO CC(=O)N1CC[C@@H](Nc2cc[nH+]c3cc(F)ccc23)c2ccc(F)cc2C1 ZINC000302211626 1107341212 /nfs/dbraw/zinc/34/12/12/1107341212.db2.gz ZNTFOPFROPGIIG-HXUWFJFHSA-N 1 0 367.399 4.418 10 0 FIAERO CCCC(C(=O)O[C@@H]1C[NH+]2CCC1CC2)(c1ccccc1)c1ccccc1 ZINC000029472148 210243956 /nfs/dbraw/zinc/24/39/56/210243956.db2.gz VFFFDVTXOZYRIT-JOCHJYFZSA-N 1 0 363.501 4.410 10 0 FIAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000013723060 220089548 /nfs/dbraw/zinc/08/95/48/220089548.db2.gz LHZIMQQOKGNRQN-UHFFFAOYSA-N 1 0 370.276 4.352 10 0 FIAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(F)c(Br)c1 ZINC000038009686 211346814 /nfs/dbraw/zinc/34/68/14/211346814.db2.gz PPBCTEZOPQKXKD-FZMZJTMJSA-N 1 0 350.231 4.243 10 0 FIAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc(Br)s1 ZINC000038001944 211344368 /nfs/dbraw/zinc/34/43/68/211344368.db2.gz UYURAKAOOLKPKF-JSGCOSHPSA-N 1 0 353.329 4.464 10 0 FIAERO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000021148867 211309214 /nfs/dbraw/zinc/30/92/14/211309214.db2.gz RQAYPXHJRHVFAF-UHFFFAOYSA-N 1 0 369.484 4.292 10 0 FIAERO CC(C)(CO)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875605 211297646 /nfs/dbraw/zinc/29/76/46/211297646.db2.gz OPWSHXZFFDKRLJ-UHFFFAOYSA-N 1 0 358.663 4.223 10 0 FIAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000020505967 211283319 /nfs/dbraw/zinc/28/33/19/211283319.db2.gz NOQWKHOUMCRXLO-SNVBAGLBSA-N 1 0 354.075 4.068 10 0 FIAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cccc(I)c2)C1 ZINC000037221967 211058099 /nfs/dbraw/zinc/05/80/99/211058099.db2.gz CEHCFPKWTVAETD-KGLIPLIRSA-N 1 0 372.294 4.214 10 0 FIAERO CCOc1cccc(C[NH2+]CCCCCO)c1OCc1ccccc1F ZINC000013727348 211054607 /nfs/dbraw/zinc/05/46/07/211054607.db2.gz CTMCMHMZBCCPMV-UHFFFAOYSA-N 1 0 361.457 4.056 10 0 FIAERO OCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013727046 211053178 /nfs/dbraw/zinc/05/31/78/211053178.db2.gz PZBNHEJHZOVGSQ-UHFFFAOYSA-N 1 0 351.849 4.310 10 0 FIAERO CCCC[NH+](CCCC)CCCNCc1cccc(OC)c1OCC ZINC000013733669 211052989 /nfs/dbraw/zinc/05/29/89/211052989.db2.gz JFPWJTRZGPBTRO-UHFFFAOYSA-N 1 0 350.547 4.476 10 0 FIAERO OCC1(CCc2ccccc2)CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000012308903 210940471 /nfs/dbraw/zinc/94/04/71/210940471.db2.gz VBRXFUPJLKWJEA-UHFFFAOYSA-N 1 0 360.501 4.442 10 0 FIAERO O[C@H](Cc1ccc(Br)cc1)C[NH+]1CCC(c2ccccc2)CC1 ZINC000001628490 210361429 /nfs/dbraw/zinc/36/14/29/210361429.db2.gz JWLITFDJHOZOEK-HXUWFJFHSA-N 1 0 374.322 4.232 10 0 FIAERO CC(C)Oc1ccc([C@H]([NH3+])c2cccc(I)c2)cc1 ZINC000020480690 220329365 /nfs/dbraw/zinc/32/93/65/220329365.db2.gz JWRCMLCEPOMOHU-INIZCTEOSA-N 1 0 367.230 4.127 10 0 FIAERO CC[C@H]([NH3+])[C@H](Sc1nccc(C)n1)c1cc(Br)cs1 ZINC000051331364 221035483 /nfs/dbraw/zinc/03/54/83/221035483.db2.gz IOYVRGNCCZWPMK-JQWIXIFHSA-N 1 0 358.330 4.180 10 0 FIAERO Cc1nc(-c2ccc(Cl)cc2Cl)cc(C(=O)N2CCCC2)c1C[NH3+] ZINC000066112799 221241024 /nfs/dbraw/zinc/24/10/24/221241024.db2.gz LBCLHQGGDBRKIF-UHFFFAOYSA-N 1 0 364.276 4.059 10 0 FIAERO COc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc(F)c1O ZINC000067872230 221299002 /nfs/dbraw/zinc/29/90/02/221299002.db2.gz QGEIWGCHYAFUTD-CQSZACIVSA-N 1 0 356.397 4.061 10 0 FIAERO c1ccc(CNN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000098180658 222230378 /nfs/dbraw/zinc/23/03/78/222230378.db2.gz UEVYHJSMWOOYAL-UHFFFAOYSA-N 1 0 357.501 4.098 10 0 FIAERO C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc(I)cc1 ZINC000103978765 222346544 /nfs/dbraw/zinc/34/65/44/222346544.db2.gz ZQXAWHOBYCIKMU-JLZZUVOBSA-N 1 0 363.242 4.498 10 0 FIAERO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874843 520719574 /nfs/dbraw/zinc/71/95/74/520719574.db2.gz FLNYPJCIPZPOHL-OAHLLOKOSA-N 1 0 363.885 4.097 10 0 FIAERO Cc1cc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)ccc1Br ZINC000020875766 526040165 /nfs/dbraw/zinc/04/01/65/526040165.db2.gz CFVUYPYVRAUEOX-CQSZACIVSA-N 1 0 350.256 4.286 10 0 FIAERO Cc1cc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)ccc1Br ZINC000010314133 570700012 /nfs/dbraw/zinc/70/00/12/570700012.db2.gz KXXJBXHPEJVVES-UHFFFAOYSA-N 1 0 374.282 4.394 10 0 FIAERO Cc1ccc([C@@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1Br ZINC000675054742 571175988 /nfs/dbraw/zinc/17/59/88/571175988.db2.gz PCUSMUWXLWTXKK-HIFRSBDPSA-N 1 0 369.303 4.157 10 0 FIAERO CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]C1CC1 ZINC000040730034 571236803 /nfs/dbraw/zinc/23/68/03/571236803.db2.gz NBJJMRRGTRUILO-UHFFFAOYSA-N 1 0 363.093 4.251 10 0 FIAERO C[NH2+]Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000091690478 571242402 /nfs/dbraw/zinc/24/24/02/571242402.db2.gz VPRJRFLUVLRQMS-UHFFFAOYSA-N 1 0 353.469 4.443 10 0 FIAERO Cc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)sc2cccc(F)c12 ZINC000329472717 1094925538 /nfs/dbraw/zinc/92/55/38/1094925538.db2.gz BFILITLGSZWTLY-DJJJIMSYSA-N 1 0 373.453 4.325 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1OC(F)(F)F ZINC000246364294 1099292040 /nfs/dbraw/zinc/29/20/40/1099292040.db2.gz IUFXZJBOYWUSBV-XEZPLFJOSA-N 1 0 361.429 4.291 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc(-c2ccncc2)c1 ZINC000246505838 1099366956 /nfs/dbraw/zinc/36/69/56/1099366956.db2.gz SWZQAVKUNBUXSM-NDXORKPFSA-N 1 0 354.519 4.454 10 0 FIAERO CCO[C@@H](C)c1noc(CNc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)n1 ZINC000246652153 1099371692 /nfs/dbraw/zinc/37/16/92/1099371692.db2.gz AJYHMNGMQJJPTM-CABCVRRESA-N 1 0 358.486 4.139 10 0 FIAERO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OC(F)F)cc1 ZINC000246517363 1099373411 /nfs/dbraw/zinc/37/34/11/1099373411.db2.gz UMWONTWHXPUXRH-ZVZYQTTQSA-N 1 0 357.466 4.383 10 0 FIAERO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1n1ccnc1 ZINC000246848669 1099376428 /nfs/dbraw/zinc/37/64/28/1099376428.db2.gz APEZVSAIVCJTLW-XMSQKQJNSA-N 1 0 374.488 4.072 10 0 FIAERO COc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc1NC(C)=O ZINC000246964398 1099380603 /nfs/dbraw/zinc/38/06/03/1099380603.db2.gz IZMJNWUQMDZJRT-ARBPTSGCSA-N 1 0 368.477 4.225 10 0 FIAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000247016130 1099381227 /nfs/dbraw/zinc/38/12/27/1099381227.db2.gz MRJKHKJYEYFQHV-KBXCAEBGSA-N 1 0 374.435 4.051 10 0 FIAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(COC4CCCC4)cc3)CC[C@H]21 ZINC000247957161 1099395574 /nfs/dbraw/zinc/39/55/74/1099395574.db2.gz FSAKBNZGRDMUBO-WIYYLYMNSA-N 1 0 371.525 4.094 10 0 FIAERO C[N@@H+]1CCC[C@H](CN[C@H](c2cccs2)c2ncc[nH]2)[C@H]1c1cccs1 ZINC000253355631 1099560645 /nfs/dbraw/zinc/56/06/45/1099560645.db2.gz UIHAVTCEFXBFTA-OLMNPRSZSA-N 1 0 372.563 4.295 10 0 FIAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc2ccccc2n1 ZINC000178404299 1101532207 /nfs/dbraw/zinc/53/22/07/1101532207.db2.gz UNWSOFXARFUMRA-WFXMLNOXSA-N 1 0 360.505 4.191 10 0 FIAERO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000180920483 1101583435 /nfs/dbraw/zinc/58/34/35/1101583435.db2.gz MERIXQOIMBFQHE-MRXNPFEDSA-N 1 0 355.482 4.003 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000184509618 1101657286 /nfs/dbraw/zinc/65/72/86/1101657286.db2.gz SFOHDWCSSZPJGZ-QRQCRPRQSA-N 1 0 372.459 4.369 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2sc(C)nc2C)c2ccc(F)cc2C1 ZINC000184514054 1101657363 /nfs/dbraw/zinc/65/73/63/1101657363.db2.gz LOKPDOIMAOYDNU-XIKOKIGWSA-N 1 0 361.486 4.043 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)c2ccc(F)cc2C1 ZINC000184517100 1101659205 /nfs/dbraw/zinc/65/92/05/1101659205.db2.gz OWELLJHGJHVZND-FCHUYYIVSA-N 1 0 352.453 4.286 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2F)c2ccc(F)cc2C1 ZINC000184532514 1101659215 /nfs/dbraw/zinc/65/92/15/1101659215.db2.gz KXBSJYSJIMWANY-IVZQSRNASA-N 1 0 372.459 4.369 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184535806 1101660824 /nfs/dbraw/zinc/66/08/24/1101660824.db2.gz NYFDRZMNMZITBO-QRQCRPRQSA-N 1 0 372.459 4.369 10 0 FIAERO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc(F)c1 ZINC000188473436 1101831159 /nfs/dbraw/zinc/83/11/59/1101831159.db2.gz WZJNKZMQEYZJFQ-SFTDATJTSA-N 1 0 358.432 4.499 10 0 FIAERO COc1ccc([C@H]([NH2+]C2CCN([C@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000091402018 1102387099 /nfs/dbraw/zinc/38/70/99/1102387099.db2.gz XIJJJXHOOOSSNH-UZUQRXQVSA-N 1 0 365.521 4.357 10 0 FIAERO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000092011276 1102451657 /nfs/dbraw/zinc/45/16/57/1102451657.db2.gz NMEHKSPGWOUPEK-PXNSSMCTSA-N 1 0 367.518 4.094 10 0 FIAERO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000092011274 1102452112 /nfs/dbraw/zinc/45/21/12/1102452112.db2.gz NMEHKSPGWOUPEK-XLIONFOSSA-N 1 0 367.518 4.094 10 0 FIAERO Cc1nc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000245646696 1103303252 /nfs/dbraw/zinc/30/32/52/1103303252.db2.gz BKHHADPLXLVQPO-GUYCJALGSA-N 1 0 353.894 4.027 10 0 FIAERO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328729192 1104557609 /nfs/dbraw/zinc/55/76/09/1104557609.db2.gz HGCSQZAZCOBPHQ-YXMSTPNBSA-N 1 0 361.511 4.121 10 0 FIAERO COCc1cc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)ccc1OC ZINC000168449573 1109361741 /nfs/dbraw/zinc/36/17/41/1109361741.db2.gz UEKYIDGKBGHDSK-OAHLLOKOSA-N 1 0 360.523 4.223 10 0 FIAERO Oc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1Br ZINC000062702765 212029329 /nfs/dbraw/zinc/02/93/29/212029329.db2.gz JLIYXZBWOGXNIO-UHFFFAOYSA-N 1 0 371.072 4.207 10 0 FIAERO Cc1nn(-c2ccc([C@@H](C)[NH3+])cc2Br)c(C)c1Br ZINC000061698531 212024694 /nfs/dbraw/zinc/02/46/94/212024694.db2.gz ZAXIVEZQRNZPKD-SSDOTTSWSA-N 1 0 373.092 4.034 10 0 FIAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1I)c1cccs1 ZINC000043111575 211786741 /nfs/dbraw/zinc/78/67/41/211786741.db2.gz LIXRDDLTAYXJBF-RISCZKNCSA-N 1 0 373.259 4.210 10 0 FIAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(I)o2)c(C)c1 ZINC000037772138 211687010 /nfs/dbraw/zinc/68/70/10/211687010.db2.gz AQSXLQJDWNBHBL-GFCCVEGCSA-N 1 0 355.219 4.352 10 0 FIAERO CCCCCCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037984658 211334168 /nfs/dbraw/zinc/33/41/68/211334168.db2.gz VMZUVMYPTXYBEY-YOEHRIQHSA-N 1 0 358.320 4.058 10 0 FIAERO COc1ccc([C@@H]([NH3+])c2cccc(Br)c2)cc1Br ZINC000020522014 211285051 /nfs/dbraw/zinc/28/50/51/211285051.db2.gz IHPRTZMHGICHSU-AWEZNQCLSA-N 1 0 371.072 4.268 10 0 FIAERO Cc1c(C[NH2+]CCN(C)C)c2ccccc2n1Cc1ccccc1Cl ZINC000020477617 211281190 /nfs/dbraw/zinc/28/11/90/211281190.db2.gz LBZCODVXBYISGW-UHFFFAOYSA-N 1 0 355.913 4.303 10 0 FIAERO O=C(Nc1c[nH]c2ccccc12)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015065559 211116179 /nfs/dbraw/zinc/11/61/79/211116179.db2.gz SGDPMDILGYCGDP-MRXNPFEDSA-N 1 0 354.498 4.477 10 0 FIAERO CCCC[NH+](CCCC)CCCNCc1ccc(OC)c(OCC)c1 ZINC000013733699 211053627 /nfs/dbraw/zinc/05/36/27/211053627.db2.gz WMGIPXXRWACCOW-UHFFFAOYSA-N 1 0 350.547 4.476 10 0 FIAERO O=C1CCCN1CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000013727659 211053237 /nfs/dbraw/zinc/05/32/37/211053237.db2.gz JSKFBFICTBBLFG-UHFFFAOYSA-N 1 0 372.896 4.021 10 0 FIAERO CCOc1cccc(CNCCC[NH2+]C)c1OCc1ccc(Cl)cc1 ZINC000013736353 211056471 /nfs/dbraw/zinc/05/64/71/211056471.db2.gz DDJMXQNQQMJBKA-UHFFFAOYSA-N 1 0 362.901 4.017 10 0 FIAERO Cc1c(CCOC(=O)C23CCC(CC2)C3)sc[n+]1Cc1ccccc1 ZINC000003207087 210454258 /nfs/dbraw/zinc/45/42/58/210454258.db2.gz IGSYPIGANXWLJZ-UHFFFAOYSA-N 1 0 356.511 4.058 10 0 FIAERO [NH3+]C1CCN(c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073663164 132376779 /nfs/dbraw/zinc/37/67/79/132376779.db2.gz HMVXDDOSLCNWRR-UHFFFAOYSA-N 1 0 364.880 4.392 10 0 FIAERO [NH3+][C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000100278647 222240595 /nfs/dbraw/zinc/24/05/95/222240595.db2.gz BKFBGRRNKZEUNF-IYBDPMFKSA-N 1 0 354.885 4.420 10 0 FIAERO [NH3+][C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000100278630 222240823 /nfs/dbraw/zinc/24/08/23/222240823.db2.gz YBJUAFSVHUNOMP-CALCHBBNSA-N 1 0 354.885 4.420 10 0 FIAERO CCNc1c2cccc(I)c2[nH+]c2c1CCCC2 ZINC000103972644 222346667 /nfs/dbraw/zinc/34/66/67/222346667.db2.gz CJJCUZYRGRVMEH-UHFFFAOYSA-N 1 0 352.219 4.150 10 0 FIAERO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 ZINC000106110874 222382802 /nfs/dbraw/zinc/38/28/02/222382802.db2.gz LKCRVGJPMFVFIJ-UHFFFAOYSA-N 1 0 374.868 4.221 10 0 FIAERO CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684930 523821849 /nfs/dbraw/zinc/82/18/49/523821849.db2.gz MOWCRPDXINNACU-ZDUSSCGKSA-N 1 0 364.415 4.136 10 0 FIAERO COCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874653 523948822 /nfs/dbraw/zinc/94/88/22/523948822.db2.gz FDMVFTYLYACRGG-UHFFFAOYSA-N 1 0 364.283 4.073 10 0 FIAERO Cc1cc(-c2ccc(CNCCC[NH+](C)C)o2)ccc1Br ZINC000020875803 526039531 /nfs/dbraw/zinc/03/95/31/526039531.db2.gz SHAJMDBTMUHHRL-UHFFFAOYSA-N 1 0 351.288 4.059 10 0 FIAERO Clc1cccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)c1 ZINC000073685207 526972951 /nfs/dbraw/zinc/97/29/51/526972951.db2.gz MZLNOQJZYULFBS-KRWDZBQOSA-N 1 0 365.868 4.023 10 0 FIAERO Cc1ccc2c(CC[NH2+]Cc3cnc4c(cnn4C(C)C)c3)cn(C)c2c1 ZINC000186543013 567944558 /nfs/dbraw/zinc/94/45/58/567944558.db2.gz UFRDROIBYUAQHF-UHFFFAOYSA-N 1 0 361.493 4.145 10 0 FIAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000228488262 568079932 /nfs/dbraw/zinc/07/99/32/568079932.db2.gz FHYVOBTZZAHJCK-IXDOHACOSA-N 1 0 356.279 4.104 10 0 FIAERO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1ccc2cc(NC(C)=O)ccc2n1 ZINC000055270421 571118841 /nfs/dbraw/zinc/11/88/41/571118841.db2.gz KEQAUFSCXXKCQW-INIZCTEOSA-N 1 0 362.477 4.389 10 0 FIAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccc4nc(C)ccc4c3)C1)CCCC2 ZINC000275315844 1080750874 /nfs/dbraw/zinc/75/08/74/1080750874.db2.gz OGKFXTDOLPEVKF-IBGZPJMESA-N 1 0 374.488 4.014 10 0 FIAERO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000159192558 1087217382 /nfs/dbraw/zinc/21/73/82/1087217382.db2.gz AKMCNBQHWJVLKE-TZIWHRDSSA-N 1 0 364.574 4.229 10 0 FIAERO CC[C@@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1OC ZINC000162778226 1091803757 /nfs/dbraw/zinc/80/37/57/1091803757.db2.gz SIWYDTNZMXNEHB-HXUWFJFHSA-N 1 0 371.525 4.253 10 0 FIAERO COc1ccc([C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c2ccccc2)cc1 ZINC000245940985 1098897316 /nfs/dbraw/zinc/89/73/16/1098897316.db2.gz JXEFBPRJZBZULS-NNWRFLSQSA-N 1 0 369.530 4.429 10 0 FIAERO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000246292475 1099218926 /nfs/dbraw/zinc/21/89/26/1099218926.db2.gz CLSCPQWDSHQBEH-BVYCBKJFSA-N 1 0 366.480 4.100 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c(Br)c1 ZINC000246397669 1099314384 /nfs/dbraw/zinc/31/43/84/1099314384.db2.gz LKAAYGMDHRSQHX-RBOXIYTFSA-N 1 0 374.319 4.294 10 0 FIAERO COc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc1NC(C)=O ZINC000246964418 1099379517 /nfs/dbraw/zinc/37/95/17/1099379517.db2.gz IZMJNWUQMDZJRT-ITEAAPOESA-N 1 0 368.477 4.225 10 0 FIAERO CC1(C)OCc2cc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)ccc2O1 ZINC000249067336 1099414362 /nfs/dbraw/zinc/41/43/62/1099414362.db2.gz ZOWUPQOXZODCQM-ZWKOTPCHSA-N 1 0 357.450 4.013 10 0 FIAERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)c(Cl)c1 ZINC000178050524 1101515207 /nfs/dbraw/zinc/51/52/07/1101515207.db2.gz DDGPGJPHMFLBEY-INIZCTEOSA-N 1 0 362.264 4.210 10 0 FIAERO Cc1nc(COc2ccc(NC3CC[NH+](C4CCCCC4)CC3)cc2)no1 ZINC000179832190 1101567103 /nfs/dbraw/zinc/56/71/03/1101567103.db2.gz ATADFSDTXVOFNJ-UHFFFAOYSA-N 1 0 370.497 4.166 10 0 FIAERO Cc1c([C@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)cnn1-c1ccccn1 ZINC000179967587 1101569288 /nfs/dbraw/zinc/56/92/88/1101569288.db2.gz FPDFHCBEARCFLW-IFXJQAMLSA-N 1 0 366.440 4.279 10 0 FIAERO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000181505154 1101594448 /nfs/dbraw/zinc/59/44/48/1101594448.db2.gz BNIFMPDXWIHTRS-HNNXBMFYSA-N 1 0 361.449 4.130 10 0 FIAERO Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182717777 1101616631 /nfs/dbraw/zinc/61/66/31/1101616631.db2.gz MOFMVNAOMGVVNG-RBUKOAKNSA-N 1 0 365.525 4.019 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)c2ccc(F)cc2C1 ZINC000184518398 1101658642 /nfs/dbraw/zinc/65/86/42/1101658642.db2.gz BBVZRCTVYYJTSO-LEWJYISDSA-N 1 0 356.416 4.035 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)c2ccc(F)cc2C1 ZINC000184519115 1101659119 /nfs/dbraw/zinc/65/91/19/1101659119.db2.gz ONYZTHHWECFLKM-IQMFZBJNSA-N 1 0 366.480 4.459 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C)cc32)c2ccc(F)cc2C1 ZINC000184535526 1101660836 /nfs/dbraw/zinc/66/08/36/1101660836.db2.gz PQUWJEXZTSSXCI-FGZHOGPDSA-N 1 0 352.453 4.205 10 0 FIAERO COc1c(C)cc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1C ZINC000185354644 1101697117 /nfs/dbraw/zinc/69/71/17/1101697117.db2.gz BSACYACADNQWDY-OAQYLSRUSA-N 1 0 370.468 4.034 10 0 FIAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000116495931 1102555126 /nfs/dbraw/zinc/55/51/26/1102555126.db2.gz MRJKHKJYEYFQHV-KDOFPFPSSA-N 1 0 374.435 4.051 10 0 FIAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3cnc4ccsc4c3)CC2)n1 ZINC000128205903 1102748011 /nfs/dbraw/zinc/74/80/11/1102748011.db2.gz LEMHZJXWMQHDBE-HNNXBMFYSA-N 1 0 352.507 4.319 10 0 FIAERO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000129111250 1102777833 /nfs/dbraw/zinc/77/78/33/1102777833.db2.gz GDRBWWJECWLOQV-OALUTQOASA-N 1 0 354.498 4.027 10 0 FIAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1ccccc1C(F)(F)F ZINC000194517387 1103070803 /nfs/dbraw/zinc/07/08/03/1103070803.db2.gz MOYCILKNJZTAHN-GFCCVEGCSA-N 1 0 363.383 4.090 10 0 FIAERO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)o2)cc1 ZINC000195358000 1103084906 /nfs/dbraw/zinc/08/49/06/1103084906.db2.gz CXTBTDHFDLRLAQ-OAHLLOKOSA-N 1 0 355.463 4.186 10 0 FIAERO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000168433614 1109358619 /nfs/dbraw/zinc/35/86/19/1109358619.db2.gz UNKOUOLFKXVPDZ-OAHLLOKOSA-N 1 0 371.506 4.024 10 0 FIAERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000168413323 1109363359 /nfs/dbraw/zinc/36/33/59/1109363359.db2.gz QPLQHLCHRYJOGA-HNNXBMFYSA-N 1 0 371.506 4.024 10 0 FIAERO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000299805572 210042154 /nfs/dbraw/zinc/04/21/54/210042154.db2.gz VHQSLLZPQOHFAQ-UXHICEINSA-N 1 0 370.468 4.318 10 0 FIAERO Cc1nn(-c2ccc([C@H](C)[NH3+])cc2Br)c(C)c1Br ZINC000061698532 212024517 /nfs/dbraw/zinc/02/45/17/212024517.db2.gz ZAXIVEZQRNZPKD-ZETCQYMHSA-N 1 0 373.092 4.034 10 0 FIAERO CC[C@@H](C)[NH2+]C[C@@H](C)Oc1ccc(Br)cc1Br ZINC000053586669 211920457 /nfs/dbraw/zinc/92/04/57/211920457.db2.gz DSXMCPZSEVLDSN-NXEZZACHSA-N 1 0 365.109 4.367 10 0 FIAERO Clc1ccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)cc1 ZINC000073685306 211690692 /nfs/dbraw/zinc/69/06/92/211690692.db2.gz IJAVRMWRNMAQDO-QGZVFWFLSA-N 1 0 365.868 4.023 10 0 FIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022935981 211371033 /nfs/dbraw/zinc/37/10/33/211371033.db2.gz IOMDCDAPIRPLQY-HXUWFJFHSA-N 1 0 358.913 4.493 10 0 FIAERO [NH3+][C@@H](c1ccccc1F)c1cc(Br)ccc1Br ZINC000021519184 211315103 /nfs/dbraw/zinc/31/51/03/211315103.db2.gz FBCKBVWOCFVQIM-ZDUSSCGKSA-N 1 0 359.036 4.399 10 0 FIAERO Cc1sc2ccccc2c1CN1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000015066157 211117406 /nfs/dbraw/zinc/11/74/06/211117406.db2.gz LZKMQDJSMQRNSQ-WOJBJXKFSA-N 1 0 358.551 4.021 10 0 FIAERO C[C@@H]([NH2+]CCc1cccc(F)c1)c1ccc(I)cc1 ZINC000037262358 211080054 /nfs/dbraw/zinc/08/00/54/211080054.db2.gz TWGLRTUDNVYALV-GFCCVEGCSA-N 1 0 369.221 4.324 10 0 FIAERO COc1cccc(C[NH2+]CCCCCO)c1OCc1ccc(Cl)cc1 ZINC000013726877 211054076 /nfs/dbraw/zinc/05/40/76/211054076.db2.gz DASWSJNVLUKEQY-UHFFFAOYSA-N 1 0 363.885 4.180 10 0 FIAERO COc1c(Br)cc(Br)cc1C[NH2+]CCC(C)C ZINC000013724375 211052968 /nfs/dbraw/zinc/05/29/68/211052968.db2.gz QSNHAVAZECEARR-UHFFFAOYSA-N 1 0 365.109 4.356 10 0 FIAERO COc1cc2c(cc1O)C(=O)[C@H](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000013449409 211034872 /nfs/dbraw/zinc/03/48/72/211034872.db2.gz DJRBBQJREIMIEU-LJQANCHMSA-N 1 0 365.473 4.058 10 0 endogenous,world FIAERO C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2)nc(Cl)c1Cl ZINC000002380470 210395286 /nfs/dbraw/zinc/39/52/86/210395286.db2.gz KAOHTKKIBFPNBI-UHFFFAOYSA-N 1 0 359.688 4.467 10 0 FIAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc(C)s1)c1cccc(Br)c1 ZINC000043025092 220945192 /nfs/dbraw/zinc/94/51/92/220945192.db2.gz FFMRYFZKDFOJIC-NEPJUHHUSA-N 1 0 358.330 4.180 10 0 FIAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)Cc1sccc1Br ZINC000055269506 221064310 /nfs/dbraw/zinc/06/43/10/221064310.db2.gz VNATWAQWMJKRJV-LLVKDONJSA-N 1 0 359.358 4.429 10 0 FIAERO COc1ccc(-c2cc3n(n2)CCC[N@H+](Cc2cccs2)C3)cc1OC ZINC000065270402 221191336 /nfs/dbraw/zinc/19/13/36/221191336.db2.gz QHBCLEZSZWKNOA-UHFFFAOYSA-N 1 0 369.490 4.035 10 0 FIAERO [NH3+]C1CCN(c2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073663243 132376718 /nfs/dbraw/zinc/37/67/18/132376718.db2.gz FLERUCIHXVAMNC-UHFFFAOYSA-N 1 0 364.880 4.392 10 0 FIAERO [NH3+]CC1CCN(c2cc(-c3ccccc3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073684526 132376983 /nfs/dbraw/zinc/37/69/83/132376983.db2.gz KQPPMKKKGNXNKE-UHFFFAOYSA-N 1 0 362.452 4.125 10 0 FIAERO Fc1cccc(Nc2ccc3nc(C4CC[NH+](CC5CC5)CC4)nn3c2)c1 ZINC000096155831 222056415 /nfs/dbraw/zinc/05/64/15/222056415.db2.gz SRYIWIBVSBBRRB-UHFFFAOYSA-N 1 0 365.456 4.201 10 0 FIAERO FC(F)(F)C(F)(F)OCCC[NH2+]Cc1ccccc1Br ZINC000096308425 222113613 /nfs/dbraw/zinc/11/36/13/222113613.db2.gz SZSGDFSWHLAURH-UHFFFAOYSA-N 1 0 362.136 4.101 10 0 FIAERO CCCOc1c(Br)cc(C[NH2+]CCCOCC)cc1OCC ZINC000020932372 520289241 /nfs/dbraw/zinc/28/92/41/520289241.db2.gz DSBALIMTCPBAFM-UHFFFAOYSA-N 1 0 374.319 4.153 10 0 FIAERO CCCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000020928809 520378644 /nfs/dbraw/zinc/37/86/44/520378644.db2.gz YLZHIECHRFNUCB-UHFFFAOYSA-N 1 0 363.885 4.478 10 0 FIAERO CCOc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(C)cc1 ZINC000020874350 520712396 /nfs/dbraw/zinc/71/23/96/520712396.db2.gz DYQDTLJBLVWTCS-UHFFFAOYSA-N 1 0 356.510 4.014 10 0 FIAERO COc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073684828 523221820 /nfs/dbraw/zinc/22/18/20/523221820.db2.gz AMFVEMMOJREGDW-KRWDZBQOSA-N 1 0 374.488 4.231 10 0 FIAERO Cc1cccc(CN2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2=O)c1 ZINC000011701668 570574125 /nfs/dbraw/zinc/57/41/25/570574125.db2.gz UKOFPHHLIQIQDS-LJQANCHMSA-N 1 0 368.443 4.152 10 0 FIAERO CCOc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000010474981 570701339 /nfs/dbraw/zinc/70/13/39/570701339.db2.gz AVMZAAZGGXEBPN-UHFFFAOYSA-N 1 0 354.233 4.411 10 0 FIAERO Cc1ccc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1Br ZINC000675052799 571148254 /nfs/dbraw/zinc/14/82/54/571148254.db2.gz FHKRODVOCLKWRJ-ZFWWWQNUSA-N 1 0 369.303 4.075 10 0 FIAERO Cc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)cc1I ZINC000675075972 571272584 /nfs/dbraw/zinc/27/25/84/571272584.db2.gz XYSJVGXRXYKJLJ-RYUDHWBXSA-N 1 0 357.279 4.386 10 0 FIAERO C[N@@H+](Cc1ccc2ncccc2c1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328642127 571325808 /nfs/dbraw/zinc/32/58/08/571325808.db2.gz QVZNFAJIGKFDEJ-OAHLLOKOSA-N 1 0 374.410 4.145 10 0 FIAERO c1ccc(C2CCC(c3nc([C@@H]4CN5CCC[C@H]5CO4)no3)CC2)cc1 ZINC000329546695 1087022841 /nfs/dbraw/zinc/02/28/41/1087022841.db2.gz AWDGTWJJPKARCH-BTRQGYIVSA-N 1 0 353.466 4.047 10 0 FIAERO c1sc(CCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)nc1-c1ccncc1 ZINC000245887458 1098840817 /nfs/dbraw/zinc/84/08/17/1098840817.db2.gz LSELZWFELHQMSH-PWIZWCRZSA-N 1 0 369.534 4.075 10 0 FIAERO Cc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246655559 1099372674 /nfs/dbraw/zinc/37/26/74/1099372674.db2.gz ZXFQZSWTTVEICF-CRAIPNDOSA-N 1 0 372.900 4.076 10 0 FIAERO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000247148910 1099385090 /nfs/dbraw/zinc/38/50/90/1099385090.db2.gz WWCJFCUGYLWIKI-DQLDELGASA-N 1 0 366.461 4.214 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc2ccccc2n1 ZINC000248170029 1099397196 /nfs/dbraw/zinc/39/71/96/1099397196.db2.gz UNWSOFXARFUMRA-LVCYWYKZSA-N 1 0 360.505 4.191 10 0 FIAERO CC(=O)Nc1nc(CNc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cs1 ZINC000177229167 1101489803 /nfs/dbraw/zinc/48/98/03/1101489803.db2.gz ILPLEYJFGDEVQS-CYBMUJFWSA-N 1 0 358.511 4.074 10 0 FIAERO c1ncn(-c2ncccc2C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)n1 ZINC000178054163 1101514360 /nfs/dbraw/zinc/51/43/60/1101514360.db2.gz VOZPWXXSNWQDLP-QFIPXVFZSA-N 1 0 369.472 4.126 10 0 FIAERO Cc1ccc(-c2nc(CC(=O)Nc3ccc([C@H](C)[NH3+])cc3)cs2)cc1 ZINC000178195974 1101518768 /nfs/dbraw/zinc/51/87/68/1101518768.db2.gz HMYXVPRDDVALOG-AWEZNQCLSA-N 1 0 351.475 4.319 10 0 FIAERO CC(C)c1nc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000181018647 1101584886 /nfs/dbraw/zinc/58/48/86/1101584886.db2.gz LNIDUZZMJNVBGY-BQFCYCMXSA-N 1 0 358.555 4.223 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)c2ccc(F)cc2C1 ZINC000184508641 1101657574 /nfs/dbraw/zinc/65/75/74/1101657574.db2.gz XOGFRFAKEJAWAR-STKUJCBHSA-N 1 0 370.443 4.294 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2)c2ccc(F)cc2C1 ZINC000184524905 1101658569 /nfs/dbraw/zinc/65/85/69/1101658569.db2.gz ABJRBOWXBYBZCW-ODXCJYRJSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]C2CC(c3ccccc3C)C2)c2ccc(F)cc2C1 ZINC000184529706 1101658733 /nfs/dbraw/zinc/65/87/33/1101658733.db2.gz ACKVOHMLOFPNRS-MLFGXNJISA-N 1 0 366.480 4.463 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184527677 1101658878 /nfs/dbraw/zinc/65/88/78/1101658878.db2.gz RTQDGKDZPNNAQK-ZHRRBRCNSA-N 1 0 354.469 4.230 10 0 FIAERO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(OC)cc1 ZINC000184524057 1101658897 /nfs/dbraw/zinc/65/88/97/1101658897.db2.gz LNHLAMOEBFGBOG-FGZHOGPDSA-N 1 0 370.468 4.369 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2F)c2ccc(F)cc2C1 ZINC000184528795 1101658924 /nfs/dbraw/zinc/65/89/24/1101658924.db2.gz OLPLUOYGOPRUJB-FKIZINRSSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2C)c2ccc(F)cc2C1 ZINC000184516771 1101659289 /nfs/dbraw/zinc/65/92/89/1101659289.db2.gz LGHPSXBYOPUXRW-KSFYIVLOSA-N 1 0 354.469 4.148 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)c2ccc(F)cc2C1 ZINC000184519101 1101659301 /nfs/dbraw/zinc/65/93/01/1101659301.db2.gz ONYZTHHWECFLKM-NPMXOYFQSA-N 1 0 366.480 4.459 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)c2ccc(F)cc2C1 ZINC000184517081 1101659865 /nfs/dbraw/zinc/65/98/65/1101659865.db2.gz OWELLJHGJHVZND-VXKWHMMOSA-N 1 0 352.453 4.286 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)c2ccc(F)cc2C1 ZINC000185365317 1101695864 /nfs/dbraw/zinc/69/58/64/1101695864.db2.gz JNLLTLTWKBEZHX-LJQANCHMSA-N 1 0 364.823 4.201 10 0 FIAERO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000103473053 1102463783 /nfs/dbraw/zinc/46/37/83/1102463783.db2.gz NRWCIXQRLNQVLH-CQSZACIVSA-N 1 0 361.536 4.073 10 0 FIAERO c1csc(Cn2cccc2C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000093842007 1102595059 /nfs/dbraw/zinc/59/50/59/1102595059.db2.gz FYZHXWXCSIKDPK-HXUWFJFHSA-N 1 0 374.550 4.148 10 0 FIAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)C12CCCC2 ZINC000121145710 1102641857 /nfs/dbraw/zinc/64/18/57/1102641857.db2.gz KIJSRQJFKDWPBS-QZTJIDSGSA-N 1 0 355.482 4.215 10 0 FIAERO CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194513531 1103069598 /nfs/dbraw/zinc/06/95/98/1103069598.db2.gz QIWGZLZLOMUFJH-HNNXBMFYSA-N 1 0 351.494 4.196 10 0 FIAERO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@@H]3CCC(=O)NC34CCC4)o2)cc1C ZINC000328686319 1104537203 /nfs/dbraw/zinc/53/72/03/1104537203.db2.gz GFPASZNSNXNYSF-GDBMZVCRSA-N 1 0 354.454 4.046 10 0 FIAERO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000328775434 1104556688 /nfs/dbraw/zinc/55/66/88/1104556688.db2.gz SJUXMKRQAWGWFD-MAUKXSAKSA-N 1 0 372.513 4.253 10 0 FIAERO Clc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)cc1 ZINC000073685309 211690525 /nfs/dbraw/zinc/69/05/25/211690525.db2.gz IJAVRMWRNMAQDO-KRWDZBQOSA-N 1 0 365.868 4.023 10 0 FIAERO CCC[NH2+][C@H](c1cccs1)c1ccccc1I ZINC000035581181 211642285 /nfs/dbraw/zinc/64/22/85/211642285.db2.gz KKVXDASNZCYJCB-AWEZNQCLSA-N 1 0 357.260 4.442 10 0 FIAERO CCOc1cccc(CNC[C@@H]2CCC[N@@H+]2CC)c1OCc1ccccc1 ZINC000022936699 211371671 /nfs/dbraw/zinc/37/16/71/211371671.db2.gz BLFNJVCRFFNHEG-NRFANRHFSA-N 1 0 368.521 4.238 10 0 FIAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1cccc(Br)c1 ZINC000038012570 211348237 /nfs/dbraw/zinc/34/82/37/211348237.db2.gz JQHPGFUNVQPJIV-LLVKDONJSA-N 1 0 367.674 4.392 10 0 FIAERO CCCCCCOC[C@H](O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000037984659 211335079 /nfs/dbraw/zinc/33/50/79/211335079.db2.gz VMZUVMYPTXYBEY-RHSMWYFYSA-N 1 0 358.320 4.058 10 0 FIAERO CCCc1ccc([C@@H]([NH3+])c2ccc(I)cc2)cc1 ZINC000020480457 211283428 /nfs/dbraw/zinc/28/34/28/211283428.db2.gz YXDHQGRITIDESO-MRXNPFEDSA-N 1 0 351.231 4.292 10 0 FIAERO CC(C)(C)NC(=O)CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000019743019 211254193 /nfs/dbraw/zinc/25/41/93/211254193.db2.gz SDISVIDJIYQVNR-HXUWFJFHSA-N 1 0 370.468 4.066 10 0 FIAERO Cc1noc2nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc(C(F)F)c12 ZINC000019564380 211232962 /nfs/dbraw/zinc/23/29/62/211232962.db2.gz GXJYKVQXFSYAAX-CQSZACIVSA-N 1 0 358.392 4.243 10 0 FIAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(I)cc1 ZINC000037565994 211226078 /nfs/dbraw/zinc/22/60/78/211226078.db2.gz RIWKXDIGJUCKPM-DOMZBBRYSA-N 1 0 363.242 4.282 10 0 FIAERO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]C2CSCCSC2)cc1C ZINC000015063727 211117136 /nfs/dbraw/zinc/11/71/36/211117136.db2.gz XDXAOYHLQDMTKC-IBGZPJMESA-N 1 0 373.591 4.305 10 0 FIAERO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]CCc4ccccc4)CC3)nc2c1 ZINC000014989621 211111156 /nfs/dbraw/zinc/11/11/56/211111156.db2.gz UBXQXNLDPYKKSR-NRFANRHFSA-N 1 0 374.532 4.438 10 0 FIAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000013725890 211054099 /nfs/dbraw/zinc/05/40/99/211054099.db2.gz USEKSTUSZURUFW-GOSISDBHSA-N 1 0 368.521 4.091 10 0 FIAERO CCOc1cccc(C[NH2+][C@H](CC)CO)c1OCc1ccccc1Cl ZINC000013717464 211051782 /nfs/dbraw/zinc/05/17/82/211051782.db2.gz BBYJVWZZEFTCSX-QGZVFWFLSA-N 1 0 363.885 4.178 10 0 FIAERO CCOc1cccc(C[NH2+][C@@H](CC)CO)c1OCc1ccccc1Cl ZINC000013717462 211051282 /nfs/dbraw/zinc/05/12/82/211051282.db2.gz BBYJVWZZEFTCSX-KRWDZBQOSA-N 1 0 363.885 4.178 10 0 FIAERO CCOc1ccc([C@H]([NH3+])c2ccccc2Br)cc1OCC ZINC000019967803 220309050 /nfs/dbraw/zinc/30/90/50/220309050.db2.gz LWILOPLQNHWGDE-KRWDZBQOSA-N 1 0 350.256 4.295 10 0 FIAERO O=C1CCC2(CCC([NH2+]Cc3ccco3)CC2)N1Cc1cccc(F)c1 ZINC000096228619 222090164 /nfs/dbraw/zinc/09/01/64/222090164.db2.gz SBDSQTXTULQYLZ-UHFFFAOYSA-N 1 0 356.441 4.012 10 0 FIAERO CN(C)CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875699 521786972 /nfs/dbraw/zinc/78/69/72/521786972.db2.gz OFCXEPYILLPWDH-UHFFFAOYSA-N 1 0 357.679 4.014 10 0 FIAERO CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684927 523821730 /nfs/dbraw/zinc/82/17/30/523821730.db2.gz MOWCRPDXINNACU-CYBMUJFWSA-N 1 0 364.415 4.136 10 0 FIAERO CC1=C[C@@H](C[NH2+]CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000072320837 560077223 /nfs/dbraw/zinc/07/72/23/560077223.db2.gz SODGIEVEGGVQON-FHWLQOOXSA-N 1 0 352.526 4.355 10 0 biogenic FIAERO Cc1nnc([C@@H](N[C@H](C)c2sc(C(C)C)nc2C)c2ccccc2)[nH]1 ZINC000162497435 568031224 /nfs/dbraw/zinc/03/12/24/568031224.db2.gz NUIPMGDAPAWYBY-WBMJQRKESA-N 1 0 355.511 4.442 10 0 FIAERO CC(C)(C)C1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccccn3)cs2)[NH2+]1 ZINC000001415179 570499148 /nfs/dbraw/zinc/49/91/48/570499148.db2.gz CXEPPDYUHZXAQE-HNNXBMFYSA-N 1 0 370.400 4.068 10 0 FIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000035805125 571078664 /nfs/dbraw/zinc/07/86/64/571078664.db2.gz RVWRFKHZUPLERD-MRXNPFEDSA-N 1 0 363.299 4.283 10 0 FIAERO Cc1cc([C@H]2C[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1Br ZINC000675052543 571121047 /nfs/dbraw/zinc/12/10/47/571121047.db2.gz AXQXNLBCDVHLSX-UKRRQHHQSA-N 1 0 369.303 4.157 10 0 FIAERO Cc1cc(Br)ccc1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053991 571157947 /nfs/dbraw/zinc/15/79/47/571157947.db2.gz LEDHDJYTHXGCJD-UKRRQHHQSA-N 1 0 369.303 4.075 10 0 FIAERO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000242750474 571196605 /nfs/dbraw/zinc/19/66/05/571196605.db2.gz ZODPLMKUZITHHK-PMACEKPBSA-N 1 0 352.478 4.179 10 0 FIAERO CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096005 571240976 /nfs/dbraw/zinc/24/09/76/571240976.db2.gz HHBYOPUUGNGCFM-LJQANCHMSA-N 1 0 361.457 4.006 10 0 FIAERO Cc1c2cc(Cl)ccc2oc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329566416 1087045103 /nfs/dbraw/zinc/04/51/03/1087045103.db2.gz HNGVMVIOGRGZDU-KXBFYZLASA-N 1 0 373.840 4.370 10 0 FIAERO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc1Cl ZINC000329602263 1087075607 /nfs/dbraw/zinc/07/56/07/1087075607.db2.gz XYAJGCMTLAACPR-CZUORRHYSA-N 1 0 361.873 4.223 10 0 FIAERO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)o2)o1 ZINC000182491307 1088919307 /nfs/dbraw/zinc/91/93/07/1088919307.db2.gz AQONPQXHXVZXQN-NEPJUHHUSA-N 1 0 366.259 4.247 10 0 FIAERO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)o2)cc1C ZINC000248119507 1092366672 /nfs/dbraw/zinc/36/66/72/1092366672.db2.gz NEROAWMFERKOLA-DJPFJPOOSA-N 1 0 355.482 4.041 10 0 FIAERO CCC(C)(C)c1ccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000333242560 1093802780 /nfs/dbraw/zinc/80/27/80/1093802780.db2.gz BIDBNCJXQZRRJX-VQTJNVASSA-N 1 0 373.541 4.124 10 0 FIAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(F)c(Cl)cc3Cl)n1)OC2 ZINC000329616188 1095003967 /nfs/dbraw/zinc/00/39/67/1095003967.db2.gz SJLQSULEJQZNES-CJNGLKHVSA-N 1 0 372.227 4.108 10 0 FIAERO Cc1ncc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000245658588 1098559791 /nfs/dbraw/zinc/55/97/91/1098559791.db2.gz FFAQOWPTWQXOAC-DYVFJYSZSA-N 1 0 353.894 4.027 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Br)s1 ZINC000246277640 1099206211 /nfs/dbraw/zinc/20/62/11/1099206211.db2.gz BEUDZHYBLINYBT-WDMOLILDSA-N 1 0 362.358 4.216 10 0 FIAERO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(N2CCOC2=O)c1 ZINC000247007416 1099380324 /nfs/dbraw/zinc/38/03/24/1099380324.db2.gz LZBFRQLPEYEVSO-DQLDELGASA-N 1 0 366.461 4.214 10 0 FIAERO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccco2)o1)c1cccs1 ZINC000247338129 1099387488 /nfs/dbraw/zinc/38/74/88/1099387488.db2.gz ZNSDLFRYQMCQCL-LSDHHAIUSA-N 1 0 373.478 4.259 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)cs1 ZINC000248747506 1099408719 /nfs/dbraw/zinc/40/87/19/1099408719.db2.gz UAQNGWLJJJDSCO-JKOKRWQUSA-N 1 0 362.358 4.216 10 0 FIAERO Cc1nc([C@@H]2CCCN2CCN2CCC[C@H]2c2csc(C)n2)cs1 ZINC000249456352 1099417896 /nfs/dbraw/zinc/41/78/96/1099417896.db2.gz NSERYRIJIIVATG-ROUUACIJSA-N 1 0 362.568 4.190 10 0 FIAERO C[N@@H+]1CCC[C@H](CN[C@H](c2cccs2)c2ncc[nH]2)[C@@H]1c1cccs1 ZINC000253355632 1099560319 /nfs/dbraw/zinc/56/03/19/1099560319.db2.gz UIHAVTCEFXBFTA-ZTFGCOKTSA-N 1 0 372.563 4.295 10 0 FIAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(-c2ccccc2)c1 ZINC000178048308 1101515092 /nfs/dbraw/zinc/51/50/92/1101515092.db2.gz YSPIEKBIESUFCW-QGZVFWFLSA-N 1 0 355.445 4.180 10 0 FIAERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)c(Cl)c1 ZINC000178050535 1101515553 /nfs/dbraw/zinc/51/55/53/1101515553.db2.gz DDGPGJPHMFLBEY-MRXNPFEDSA-N 1 0 362.264 4.210 10 0 FIAERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc2cc(OC)ccc2c1 ZINC000178051896 1101515968 /nfs/dbraw/zinc/51/59/68/1101515968.db2.gz JAZUPJQIGSUEGR-NRFANRHFSA-N 1 0 373.460 4.065 10 0 FIAERO Cc1c([C@@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)cnn1-c1ccccn1 ZINC000179967572 1101568812 /nfs/dbraw/zinc/56/88/12/1101568812.db2.gz FPDFHCBEARCFLW-AUUYWEPGSA-N 1 0 366.440 4.279 10 0 FIAERO Cc1c([C@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)cnn1-c1ccccn1 ZINC000179967617 1101569249 /nfs/dbraw/zinc/56/92/49/1101569249.db2.gz FPDFHCBEARCFLW-LIRRHRJNSA-N 1 0 366.440 4.279 10 0 FIAERO Clc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cncn2)C2CC2)cc1Cl ZINC000180019451 1101569697 /nfs/dbraw/zinc/56/96/97/1101569697.db2.gz COVNPAQCWUFMOU-KRWDZBQOSA-N 1 0 374.275 4.210 10 0 FIAERO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NCc3nnc(C4CCC4)n3C)c2C1 ZINC000180965272 1101584267 /nfs/dbraw/zinc/58/42/67/1101584267.db2.gz UIQGJBNPXJBGIM-OAHLLOKOSA-N 1 0 353.514 4.055 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]C2CC(c3ccc(C)cc3)C2)c2ccc(F)cc2C1 ZINC000184515385 1101656901 /nfs/dbraw/zinc/65/69/01/1101656901.db2.gz VHRLIGCRSHRPHW-PSGUAHCZSA-N 1 0 366.480 4.463 10 0 FIAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1F ZINC000184513172 1101657126 /nfs/dbraw/zinc/65/71/26/1101657126.db2.gz QFJJXLHSHUTZGD-ZUOKHONESA-N 1 0 374.431 4.118 10 0 FIAERO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1F ZINC000184514871 1101657373 /nfs/dbraw/zinc/65/73/73/1101657373.db2.gz KPXCUELICCDVLB-LEWJYISDSA-N 1 0 358.432 4.499 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)c2ccc(F)cc2C1 ZINC000184513019 1101657692 /nfs/dbraw/zinc/65/76/92/1101657692.db2.gz RPFFURPCFZEAPD-UXHICEINSA-N 1 0 370.493 4.446 10 0 FIAERO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(F)cc1 ZINC000184512852 1101657728 /nfs/dbraw/zinc/65/77/28/1101657728.db2.gz JYLFYBBICVRZAW-RTWAWAEBSA-N 1 0 358.432 4.499 10 0 FIAERO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1F ZINC000184514907 1101657823 /nfs/dbraw/zinc/65/78/23/1101657823.db2.gz KPXCUELICCDVLB-SFTDATJTSA-N 1 0 358.432 4.499 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)c2ccc(F)cc2C1 ZINC000184519849 1101658659 /nfs/dbraw/zinc/65/86/59/1101658659.db2.gz KXMYRGGTYWJXFP-NHCUHLMSSA-N 1 0 356.416 4.035 10 0 FIAERO COc1cc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1F ZINC000184526797 1101659244 /nfs/dbraw/zinc/65/92/44/1101659244.db2.gz WDCGDYVMFHHJBI-XCLFUZPHSA-N 1 0 374.431 4.118 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184538542 1101661621 /nfs/dbraw/zinc/66/16/21/1101661621.db2.gz MOTCLQOHZLUOFV-MPBGBICISA-N 1 0 362.395 4.248 10 0 FIAERO COCCC1(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)CCCCC1 ZINC000189779892 1101897407 /nfs/dbraw/zinc/89/74/07/1101897407.db2.gz NEQSAWWIRLRAAG-FQEVSTJZSA-N 1 0 369.509 4.464 10 0 FIAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3nc4c(s3)CCCC4)CC2)nc1 ZINC000091727818 1102410007 /nfs/dbraw/zinc/41/00/07/1102410007.db2.gz RTJSRXLJYPCSRI-OAHLLOKOSA-N 1 0 356.539 4.045 10 0 FIAERO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000092011275 1102451162 /nfs/dbraw/zinc/45/11/62/1102451162.db2.gz NMEHKSPGWOUPEK-FXAWDEMLSA-N 1 0 367.518 4.094 10 0 FIAERO CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387306 1102571082 /nfs/dbraw/zinc/57/10/82/1102571082.db2.gz VRELJSUJSWLYNE-HXUWFJFHSA-N 1 0 374.488 4.415 10 0 FIAERO O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000124163814 1102644331 /nfs/dbraw/zinc/64/43/31/1102644331.db2.gz SYGTUHGWTVAOEI-UHFFFAOYSA-N 1 0 369.431 4.274 10 0 FIAERO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000129111695 1102777676 /nfs/dbraw/zinc/77/76/76/1102777676.db2.gz GDRBWWJECWLOQV-RBUKOAKNSA-N 1 0 354.498 4.027 10 0 FIAERO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000136929159 1102992563 /nfs/dbraw/zinc/99/25/63/1102992563.db2.gz FKDKJLZKRWTBQY-KRWDZBQOSA-N 1 0 357.523 4.358 10 0 FIAERO Cc1nc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000245646689 1103302585 /nfs/dbraw/zinc/30/25/85/1103302585.db2.gz BKHHADPLXLVQPO-DYVFJYSZSA-N 1 0 353.894 4.027 10 0 FIAERO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H]3CCC(=O)NC34CCC4)o2)cc1C ZINC000328686321 1104537179 /nfs/dbraw/zinc/53/71/79/1104537179.db2.gz GFPASZNSNXNYSF-HOCLYGCPSA-N 1 0 354.454 4.046 10 0 FIAERO CCCOc1c(Br)cc(C[NH2+]C2CC2)cc1Br ZINC000020926896 210181910 /nfs/dbraw/zinc/18/19/10/210181910.db2.gz VPWPDVFRSHBVIK-UHFFFAOYSA-N 1 0 363.093 4.252 10 0 FIAERO CC[C@H](NC(=O)C1=CC[N@H+](Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000064818069 212044974 /nfs/dbraw/zinc/04/49/74/212044974.db2.gz FLIFJHTVHORDEZ-SFHVURJKSA-N 1 0 358.482 4.287 10 0 FIAERO Clc1ccc(-c2nc(-c3ccccc3)cc(N3CCC[NH2+]CC3)n2)cc1 ZINC000073663464 211689256 /nfs/dbraw/zinc/68/92/56/211689256.db2.gz FBBFSEVAWCPGFR-UHFFFAOYSA-N 1 0 364.880 4.264 10 0 FIAERO C[C@H]([NH3+])c1ccc(Oc2ccccc2I)c(F)c1 ZINC000035454564 211636202 /nfs/dbraw/zinc/63/62/02/211636202.db2.gz FTPDIXNFOVBUSF-VIFPVBQESA-N 1 0 357.166 4.242 10 0 FIAERO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000023129522 211377346 /nfs/dbraw/zinc/37/73/46/211377346.db2.gz RXLQEDLJPGKMFE-LJQANCHMSA-N 1 0 362.452 4.366 10 0 FIAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000022851347 211364596 /nfs/dbraw/zinc/36/45/96/211364596.db2.gz NYBSDZCAANPEEL-LJQANCHMSA-N 1 0 361.892 4.361 10 0 FIAERO CC(=O)Nc1ccc2[nH]c(C)c([C@@H](c3ccccn3)[NH+]3CCCCC3)c2c1 ZINC000021805616 211325887 /nfs/dbraw/zinc/32/58/87/211325887.db2.gz DGVJGQCRZHCNHG-JOCHJYFZSA-N 1 0 362.477 4.405 10 0 FIAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(I)cc1 ZINC000037565995 211225922 /nfs/dbraw/zinc/22/59/22/211225922.db2.gz RIWKXDIGJUCKPM-SWLSCSKDSA-N 1 0 363.242 4.282 10 0 FIAERO Cc1ccccc1C[C@]1(CO)CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000015071325 211118786 /nfs/dbraw/zinc/11/87/86/211118786.db2.gz KYKRKJORORNGTH-XMMPIXPASA-N 1 0 360.501 4.360 10 0 FIAERO Cc1ccccc1-c1cnnc(N2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000015061916 211117033 /nfs/dbraw/zinc/11/70/33/211117033.db2.gz ZHSNZIDWVACELD-JOCHJYFZSA-N 1 0 373.504 4.250 10 0 FIAERO CCCCOCCC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000013719883 211052634 /nfs/dbraw/zinc/05/26/34/211052634.db2.gz WHJBBLBHWRFILJ-UHFFFAOYSA-N 1 0 374.319 4.153 10 0 FIAERO COCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000013722483 211052269 /nfs/dbraw/zinc/05/22/69/211052269.db2.gz AHQYMOYAMZXHRC-UHFFFAOYSA-N 1 0 367.848 4.193 10 0 FIAERO CC[NH+](CC)CCCNCc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000013734575 211055491 /nfs/dbraw/zinc/05/54/91/211055491.db2.gz ARCIBQLFFWDYTH-UHFFFAOYSA-N 1 0 370.537 4.404 10 0 FIAERO C[NH+](C)Cc1ccccc1Sc1ccc(Br)cc1CO ZINC000013472747 211035084 /nfs/dbraw/zinc/03/50/84/211035084.db2.gz CHLYWPGOYPDIPF-UHFFFAOYSA-N 1 0 352.297 4.154 10 0 FIAERO CCOc1c(Br)cc(C[NH2+]C(C)(C)C)cc1Br ZINC000010436532 210872565 /nfs/dbraw/zinc/87/25/65/210872565.db2.gz MTKWVCXVCCAJLY-UHFFFAOYSA-N 1 0 365.109 4.498 10 0 FIAERO C[C@H](O)C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315547 210868562 /nfs/dbraw/zinc/86/85/62/210868562.db2.gz IUTOFACITAIQMQ-ZDUSSCGKSA-N 1 0 363.288 4.467 10 0 FIAERO CCOc1ccc([C@@H]([NH3+])c2ccc(Br)cc2)cc1OCC ZINC000019967804 220309148 /nfs/dbraw/zinc/30/91/48/220309148.db2.gz NHAMMQVNTONVGS-KRWDZBQOSA-N 1 0 350.256 4.295 10 0 FIAERO COc1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc(F)c1O ZINC000067872228 221298352 /nfs/dbraw/zinc/29/83/52/221298352.db2.gz QGEIWGCHYAFUTD-AWEZNQCLSA-N 1 0 356.397 4.061 10 0 FIAERO Cc1sc2ncnc(N3CC[NH2+]CC3)c2c1-c1ccc(C(C)C)cc1 ZINC000020319512 132895532 /nfs/dbraw/zinc/89/55/32/132895532.db2.gz KPJZFGKQTIXFKA-UHFFFAOYSA-N 1 0 352.507 4.200 10 0 FIAERO C[C@H]([NH3+])Cc1ccc(Oc2cccc(I)c2)c(F)c1 ZINC000104298963 222354429 /nfs/dbraw/zinc/35/44/29/222354429.db2.gz MNFRIZKSBDZFIO-JTQLQIEISA-N 1 0 371.193 4.112 10 0 FIAERO Nc1[nH+]c2ccccc2n1-c1ccc(Br)cc1Br ZINC000113118157 222494212 /nfs/dbraw/zinc/49/42/12/222494212.db2.gz FAQFIAYSDIQOFL-UHFFFAOYSA-N 1 0 367.044 4.133 10 0 FIAERO COc1cc(Br)cc(C[NH2+]C2CC2)c1OCc1ccccc1 ZINC000010475288 570701364 /nfs/dbraw/zinc/70/13/64/570701364.db2.gz DXFTVAOBCMSSBO-UHFFFAOYSA-N 1 0 362.267 4.289 10 0 FIAERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccccc1 ZINC000010474459 570701393 /nfs/dbraw/zinc/70/13/93/570701393.db2.gz HXSCOSCCSUQUQN-SFHVURJKSA-N 1 0 361.869 4.196 10 0 FIAERO Cc1cc(Br)ccc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000675053988 571158002 /nfs/dbraw/zinc/15/80/02/571158002.db2.gz LEDHDJYTHXGCJD-DZGCQCFKSA-N 1 0 369.303 4.075 10 0 FIAERO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000152008472 1084497786 /nfs/dbraw/zinc/49/77/86/1084497786.db2.gz JVIWKCBGKQNBTD-HIFRSBDPSA-N 1 0 370.478 4.142 10 0 FIAERO C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000159192420 1087217319 /nfs/dbraw/zinc/21/73/19/1087217319.db2.gz AKMCNBQHWJVLKE-FPOVZHCZSA-N 1 0 364.574 4.229 10 0 FIAERO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000330142755 1089695070 /nfs/dbraw/zinc/69/50/70/1089695070.db2.gz YLPRKZOLEAMPBI-MUKKUYKPSA-N 1 0 361.873 4.078 10 0 FIAERO c1ccc([C@H]2C[C@@H]2[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000329812587 1095274191 /nfs/dbraw/zinc/27/41/91/1095274191.db2.gz NCHPQTKWUOHASI-ISHFTEKXSA-N 1 0 372.472 4.041 10 0 FIAERO Cc1csc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000245671766 1098563560 /nfs/dbraw/zinc/56/35/60/1098563560.db2.gz ICKPMIYAYPIRCT-DYVFJYSZSA-N 1 0 353.894 4.027 10 0 FIAERO CC(C)c1nc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000246398370 1099315112 /nfs/dbraw/zinc/31/51/12/1099315112.db2.gz LNIDUZZMJNVBGY-SOLBZPMBSA-N 1 0 358.555 4.223 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc(-c2ccncc2)c1 ZINC000246505821 1099366991 /nfs/dbraw/zinc/36/69/91/1099366991.db2.gz SWZQAVKUNBUXSM-DQLDELGASA-N 1 0 354.519 4.454 10 0 FIAERO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1n1ccnc1 ZINC000246848664 1099376231 /nfs/dbraw/zinc/37/62/31/1099376231.db2.gz APEZVSAIVCJTLW-PGRDOPGGSA-N 1 0 374.488 4.072 10 0 FIAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccccc3CCC(F)(F)F)CC[C@H]21 ZINC000248145366 1099396823 /nfs/dbraw/zinc/39/68/23/1099396823.db2.gz QCVUVXWEXJCLIP-NVXWUHKLSA-N 1 0 369.431 4.130 10 0 FIAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000247970751 1099396963 /nfs/dbraw/zinc/39/69/63/1099396963.db2.gz JEKIPTCMSXUWJP-ZFJSRUIDSA-N 1 0 372.516 4.066 10 0 FIAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Oc2ccccc2)cc1 ZINC000178054498 1101514854 /nfs/dbraw/zinc/51/48/54/1101514854.db2.gz JZTWPUPQWGHSFP-QGZVFWFLSA-N 1 0 371.444 4.305 10 0 FIAERO C[C@H]([NH3+])c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 ZINC000178215693 1101520314 /nfs/dbraw/zinc/52/03/14/1101520314.db2.gz DKHYFDAPKSEEBT-ZDUSSCGKSA-N 1 0 353.397 4.072 10 0 FIAERO C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(OCC[NH+](C)C)cc1 ZINC000179811872 1101565262 /nfs/dbraw/zinc/56/52/62/1101565262.db2.gz PFIDJHBNBXYIEJ-MRXNPFEDSA-N 1 0 367.493 4.075 10 0 FIAERO CC(C)(C)C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)cc1 ZINC000181504754 1101593946 /nfs/dbraw/zinc/59/39/46/1101593946.db2.gz WBOMYFLTDMAJPI-GOSISDBHSA-N 1 0 353.445 4.069 10 0 FIAERO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000181505136 1101593967 /nfs/dbraw/zinc/59/39/67/1101593967.db2.gz BNIFMPDXWIHTRS-OAHLLOKOSA-N 1 0 361.449 4.130 10 0 FIAERO Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182717755 1101617056 /nfs/dbraw/zinc/61/70/56/1101617056.db2.gz MOFMVNAOMGVVNG-RTBURBONSA-N 1 0 365.525 4.019 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2sc(C)nc2C)c2ccc(F)cc2C1 ZINC000184514034 1101656911 /nfs/dbraw/zinc/65/69/11/1101656911.db2.gz LOKPDOIMAOYDNU-KPZWWZAWSA-N 1 0 361.486 4.043 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000185362836 1101696362 /nfs/dbraw/zinc/69/63/62/1101696362.db2.gz NARYYDNGRKUUNX-ATKOVBFVSA-N 1 0 356.416 4.061 10 0 FIAERO Cc1ccc(Cl)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116477198 1102555521 /nfs/dbraw/zinc/55/55/21/1102555521.db2.gz KMNYOMJSKDLJER-MAUKXSAKSA-N 1 0 372.900 4.076 10 0 FIAERO O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000126462447 1102708147 /nfs/dbraw/zinc/70/81/47/1102708147.db2.gz KVXUSQXZTHXAEQ-UHFFFAOYSA-N 1 0 360.807 4.059 10 0 FIAERO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000195037506 1103079012 /nfs/dbraw/zinc/07/90/12/1103079012.db2.gz RQVCTLXCVSULES-OXJNMPFZSA-N 1 0 366.534 4.376 10 0 FIAERO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)co2)cc1 ZINC000195344713 1103093014 /nfs/dbraw/zinc/09/30/14/1103093014.db2.gz XRKVFHQJLSJUIQ-OAHLLOKOSA-N 1 0 355.463 4.186 10 0 FIAERO Cc1ncc(-c2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)o1 ZINC000245561055 1103212189 /nfs/dbraw/zinc/21/21/89/1103212189.db2.gz KFCJEUXGKHGOCJ-IIBYNOLFSA-N 1 0 362.477 4.368 10 0 FIAERO Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245562948 1103215496 /nfs/dbraw/zinc/21/54/96/1103215496.db2.gz MOFMVNAOMGVVNG-MOPGFXCFSA-N 1 0 365.525 4.019 10 0 FIAERO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000328775435 1104556214 /nfs/dbraw/zinc/55/62/14/1104556214.db2.gz SJUXMKRQAWGWFD-QAPCUYQASA-N 1 0 372.513 4.253 10 0 FIAERO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cnn1-c1ccccn1 ZINC000121828415 1107065472 /nfs/dbraw/zinc/06/54/72/1107065472.db2.gz LDTBTIGQDXKMPE-DLBZAZTESA-N 1 0 372.476 4.173 10 0 FIAERO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000169066681 1108798074 /nfs/dbraw/zinc/79/80/74/1108798074.db2.gz BSBJUENIDUKLJK-UHFFFAOYSA-N 1 0 369.896 4.102 10 0 FIAERO Cc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000120748565 1110280637 /nfs/dbraw/zinc/28/06/37/1110280637.db2.gz ZXFQZSWTTVEICF-MAUKXSAKSA-N 1 0 372.900 4.076 10 0 FIAERO CN(c1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1)C1CCCC1 ZINC000121040785 1110300082 /nfs/dbraw/zinc/30/00/82/1110300082.db2.gz RISGGCCGFRIMOI-UHFFFAOYSA-N 1 0 370.541 4.158 10 0 FIAERO CSCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012705866 220018378 /nfs/dbraw/zinc/01/83/78/220018378.db2.gz OMWJXXOFRAPHIT-HXUWFJFHSA-N 1 0 352.588 4.024 10 0 FIAERO O=C(Nc1c[nH]c2ccccc12)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015065560 220143895 /nfs/dbraw/zinc/14/38/95/220143895.db2.gz SGDPMDILGYCGDP-INIZCTEOSA-N 1 0 354.498 4.477 10 0 FIAERO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]Cc2ccccn2)C1 ZINC000015068731 220144416 /nfs/dbraw/zinc/14/44/16/220144416.db2.gz FDRMHIKJYGNYPU-LJQANCHMSA-N 1 0 350.441 4.210 10 0 FIAERO C[NH2+]Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000019777695 220295454 /nfs/dbraw/zinc/29/54/54/220295454.db2.gz KSKUXTIXWWVRPS-UHFFFAOYSA-N 1 0 350.256 4.065 10 0 FIAERO CC(C)c1ccc(-c2csc3ncnc(N4CCC[NH2+]CC4)c23)cc1 ZINC000020319696 220322655 /nfs/dbraw/zinc/32/26/55/220322655.db2.gz VXOWFGGTSDUWPM-UHFFFAOYSA-N 1 0 352.507 4.281 10 0 FIAERO CCCc1ccc([C@H]([NH3+])c2ccc(I)cc2)cc1 ZINC000020480458 220329730 /nfs/dbraw/zinc/32/97/30/220329730.db2.gz YXDHQGRITIDESO-INIZCTEOSA-N 1 0 351.231 4.292 10 0 FIAERO CCCOc1c(Br)cc(C[NH2+]C(C)C)cc1Br ZINC000020926955 220346304 /nfs/dbraw/zinc/34/63/04/220346304.db2.gz VLTYJCPNOSBLPE-UHFFFAOYSA-N 1 0 365.109 4.498 10 0 FIAERO Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC000022353322 220384270 /nfs/dbraw/zinc/38/42/70/220384270.db2.gz YBXSVPHXJZXTQW-SFHVURJKSA-N 1 0 369.509 4.162 10 0 FIAERO Cc1ccc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc1F ZINC000033274475 220724419 /nfs/dbraw/zinc/72/44/19/220724419.db2.gz XQTKUSAWFDTYQW-UHFFFAOYSA-N 1 0 373.497 4.359 10 0 FIAERO Cc1ccccc1[C@@H](Oc1ccccc1I)[C@H](C)[NH3+] ZINC000043040243 220944568 /nfs/dbraw/zinc/94/45/68/220944568.db2.gz KWESMSOMQYWBBJ-LRDDRELGSA-N 1 0 367.230 4.067 10 0 FIAERO CC[C@@H]([NH3+])[C@H](Sc1cc(C)nn1C)c1ccc(Br)s1 ZINC000052309162 221038367 /nfs/dbraw/zinc/03/83/67/221038367.db2.gz QSZYVLBZIJMZIX-RNCFNFMXSA-N 1 0 360.346 4.123 10 0 FIAERO Cc1cccn2c(=O)c(C[N@@H+](Cc3ccco3)[C@H](C)C(C)C)c(Cl)nc12 ZINC000055133789 221060329 /nfs/dbraw/zinc/06/03/29/221060329.db2.gz PIISCOGTRYJSIX-OAHLLOKOSA-N 1 0 373.884 4.296 10 0 FIAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1cccc(I)c1 ZINC000052944905 221042437 /nfs/dbraw/zinc/04/24/37/221042437.db2.gz WSNMQHIXVIQTIT-CQSZACIVSA-N 1 0 357.622 4.187 10 0 FIAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000057382136 221087476 /nfs/dbraw/zinc/08/74/76/221087476.db2.gz VMDUMSDPJOUZLQ-LLVKDONJSA-N 1 0 367.674 4.392 10 0 FIAERO Cc1c(C[NH2+]CCc2nc(C(C)C)no2)c2ccccc2n1CC(C)C ZINC000067821387 221291478 /nfs/dbraw/zinc/29/14/78/221291478.db2.gz KHQWWENNDHUAQP-UHFFFAOYSA-N 1 0 354.498 4.444 10 0 FIAERO CC(=O)OC[C@@H](O)[C@@H](CC(C)C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000071624143 221351328 /nfs/dbraw/zinc/35/13/28/221351328.db2.gz LWTGIEFUTRCWQS-DHIUTWEWSA-N 1 0 369.505 4.028 10 0 FIAERO Clc1cccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccncc3)n2)c1 ZINC000073662946 221566296 /nfs/dbraw/zinc/56/62/96/221566296.db2.gz VJVGEWDFGQAXFT-UHFFFAOYSA-N 1 0 365.868 4.023 10 0 FIAERO C[C@@H]([NH3+])Cc1ccc(Oc2ccccc2I)c(F)c1 ZINC000104286806 222354439 /nfs/dbraw/zinc/35/44/39/222354439.db2.gz YJQNQFDEDATINP-SNVBAGLBSA-N 1 0 371.193 4.112 10 0 FIAERO CCCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1Cl ZINC000020925497 520365796 /nfs/dbraw/zinc/36/57/96/520365796.db2.gz AGPPMUDYANYYTG-UHFFFAOYSA-N 1 0 363.885 4.478 10 0 FIAERO CCCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1OCC ZINC000020933267 520365886 /nfs/dbraw/zinc/36/58/86/520365886.db2.gz GWTDJWSVXVTWCK-UHFFFAOYSA-N 1 0 373.493 4.224 10 0 FIAERO Fc1ccccc1-c1nc(NCC2CC[NH2+]CC2)cc(-c2ccccc2)n1 ZINC000073684305 526407091 /nfs/dbraw/zinc/40/70/91/526407091.db2.gz UPGFQAQHIPSUKU-UHFFFAOYSA-N 1 0 362.452 4.361 10 0 FIAERO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000149025520 570643019 /nfs/dbraw/zinc/64/30/19/570643019.db2.gz ZODPLMKUZITHHK-WOJBJXKFSA-N 1 0 352.478 4.179 10 0 FIAERO Cc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)cc1I ZINC000675075975 571272610 /nfs/dbraw/zinc/27/26/10/571272610.db2.gz XYSJVGXRXYKJLJ-VXGBXAGGSA-N 1 0 357.279 4.386 10 0 FIAERO CC(C)c1noc([C@@H]([NH2+]C2CC(c3ccccc3F)C2)C2CCOCC2)n1 ZINC000328627916 571324925 /nfs/dbraw/zinc/32/49/25/571324925.db2.gz NDOYCTPJQLRWLE-RJYAGPCLSA-N 1 0 373.472 4.336 10 0 FIAERO Cc1nc([C@@H](C)[NH+]2CCC(n3cncn3)CC2)oc1-c1ccc(Cl)cc1 ZINC000155936936 1086608049 /nfs/dbraw/zinc/60/80/49/1086608049.db2.gz BIXOOYUVQAXCGS-CQSZACIVSA-N 1 0 371.872 4.293 10 0 FIAERO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000329464563 1086976970 /nfs/dbraw/zinc/97/69/70/1086976970.db2.gz UTECWXYLGIHBCZ-QUDVFMAMSA-N 1 0 355.482 4.114 10 0 FIAERO c1ccc([C@@H]2C[C@H]2[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000329812589 1095274256 /nfs/dbraw/zinc/27/42/56/1095274256.db2.gz NCHPQTKWUOHASI-VLVHOKLOSA-N 1 0 372.472 4.041 10 0 FIAERO Cc1ncc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000245658593 1098560569 /nfs/dbraw/zinc/56/05/69/1098560569.db2.gz FFAQOWPTWQXOAC-GUYCJALGSA-N 1 0 353.894 4.027 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000246194681 1099089077 /nfs/dbraw/zinc/08/90/77/1099089077.db2.gz ABSDYGQLRACRNU-NOLJZWGESA-N 1 0 361.429 4.291 10 0 FIAERO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccco2)o1)c1cccs1 ZINC000247338120 1099387774 /nfs/dbraw/zinc/38/77/74/1099387774.db2.gz ZNSDLFRYQMCQCL-HUUCEWRRSA-N 1 0 373.478 4.259 10 0 FIAERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000247970733 1099395614 /nfs/dbraw/zinc/39/56/14/1099395614.db2.gz JEKIPTCMSXUWJP-CKUXNOBLSA-N 1 0 372.516 4.066 10 0 FIAERO O=C([C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000173473657 1101369368 /nfs/dbraw/zinc/36/93/68/1101369368.db2.gz OLTSLNMHPSNEEQ-ROUUACIJSA-N 1 0 367.320 4.184 10 0 FIAERO Cc1ccc([C@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc2)c(C)c1 ZINC000180122343 1101563607 /nfs/dbraw/zinc/56/36/07/1101563607.db2.gz AZQOLVDPOUBBFS-JOCHJYFZSA-N 1 0 369.472 4.158 10 0 FIAERO C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(OCC[NH+](C)C)cc1 ZINC000179811859 1101565326 /nfs/dbraw/zinc/56/53/26/1101565326.db2.gz PFIDJHBNBXYIEJ-INIZCTEOSA-N 1 0 367.493 4.075 10 0 FIAERO O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000180005888 1101569033 /nfs/dbraw/zinc/56/90/33/1101569033.db2.gz YTGOIQAVAJNQGA-UHFFFAOYSA-N 1 0 360.807 4.059 10 0 FIAERO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000180920469 1101583115 /nfs/dbraw/zinc/58/31/15/1101583115.db2.gz MERIXQOIMBFQHE-INIZCTEOSA-N 1 0 355.482 4.003 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2N(C)C)c2ccc(F)cc2C1 ZINC000184513865 1101656755 /nfs/dbraw/zinc/65/67/55/1101656755.db2.gz LQAUTZORYKPLKC-YCRPNKLZSA-N 1 0 369.484 4.036 10 0 FIAERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184511340 1101657341 /nfs/dbraw/zinc/65/73/41/1101657341.db2.gz LQTJZRAZABQKTR-IRLDBZIGSA-N 1 0 354.469 4.230 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)c2ccc(F)cc2C1 ZINC000184519132 1101659684 /nfs/dbraw/zinc/65/96/84/1101659684.db2.gz ONYZTHHWECFLKM-WNSKOXEYSA-N 1 0 366.480 4.459 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184527623 1101659802 /nfs/dbraw/zinc/65/98/02/1101659802.db2.gz RTQDGKDZPNNAQK-KSFYIVLOSA-N 1 0 354.469 4.230 10 0 FIAERO CC1(C)OCc2cc(C[NH2+]C3CCN(c4cccs4)CC3)ccc2O1 ZINC000186398339 1101766890 /nfs/dbraw/zinc/76/68/90/1101766890.db2.gz LQORGXFNILPGHI-UHFFFAOYSA-N 1 0 358.507 4.152 10 0 FIAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1occc1CSc1ccccc1 ZINC000188763064 1101841894 /nfs/dbraw/zinc/84/18/94/1101841894.db2.gz RUDGPUBKBAFNRX-UHFFFAOYSA-N 1 0 364.470 4.105 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]C/C(C)=C/c2ccccc2)c2ccc(F)cc2C1 ZINC000192709740 1101970921 /nfs/dbraw/zinc/97/09/21/1101970921.db2.gz INMVCPWQLHAONV-CNCHJIQNSA-N 1 0 352.453 4.312 10 0 FIAERO Cc1cc(Cl)ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116474689 1102556179 /nfs/dbraw/zinc/55/61/79/1102556179.db2.gz YDXPNPSNAOGCFC-HNAYVOBHSA-N 1 0 372.900 4.076 10 0 FIAERO Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)c(Cl)c1 ZINC000194513152 1103071192 /nfs/dbraw/zinc/07/11/92/1103071192.db2.gz NMUIJQIVTSDHGM-CQSZACIVSA-N 1 0 357.885 4.341 10 0 FIAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1cccc(Cl)c1Cl ZINC000194519718 1103072093 /nfs/dbraw/zinc/07/20/93/1103072093.db2.gz QDSKNGABVIIYGV-NSHDSACASA-N 1 0 364.276 4.378 10 0 FIAERO C[N@@H+]1CCC[C@H](CN[C@@H](c2cccs2)c2ncc[nH]2)[C@@H]1c1cccs1 ZINC000195044816 1103079467 /nfs/dbraw/zinc/07/94/67/1103079467.db2.gz UIHAVTCEFXBFTA-FHLIZLRMSA-N 1 0 372.563 4.295 10 0 FIAERO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328740456 1104547232 /nfs/dbraw/zinc/54/72/32/1104547232.db2.gz NDUFSLKBBOXSRB-OWYFMNJBSA-N 1 0 361.511 4.121 10 0 FIAERO CC(C)(C)c1nc2cc(NC(=O)N3CCC([NH+]4CCCC4)CC3)ccc2o1 ZINC000118033095 1109953347 /nfs/dbraw/zinc/95/33/47/1109953347.db2.gz RDXNCNMAJQVADD-UHFFFAOYSA-N 1 0 370.497 4.217 10 0 FIAERO CCCC[NH2+]CC(=O)N(CCCC)c1ccc(C(=O)OCCCC)cc1 ZINC000005513859 219686994 /nfs/dbraw/zinc/68/69/94/219686994.db2.gz HCSURLIRAIBZRW-UHFFFAOYSA-N 1 0 362.514 4.166 10 0 FIAERO CCCc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)no1 ZINC000012597718 220012353 /nfs/dbraw/zinc/01/23/53/220012353.db2.gz VLPCAKZQQYJYGC-QFIPXVFZSA-N 1 0 373.541 4.136 10 0 FIAERO COCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013722614 220089936 /nfs/dbraw/zinc/08/99/36/220089936.db2.gz KZTJIURTLGMBRA-UHFFFAOYSA-N 1 0 358.663 4.489 10 0 FIAERO Cc1nc2c(s1)c(-c1ccccc1)nnc2SCC[NH+]1CCCC1 ZINC000013973445 220100030 /nfs/dbraw/zinc/10/00/30/220100030.db2.gz GDEFEHIIEMQJGD-UHFFFAOYSA-N 1 0 356.520 4.250 10 0 FIAERO Fc1cccc(-c2noc3c2C[N@H+](Cc2ccc(-n4cccn4)cc2)CC3)c1 ZINC000019223891 220242055 /nfs/dbraw/zinc/24/20/55/220242055.db2.gz IUJIWLYPQGZQCJ-UHFFFAOYSA-N 1 0 374.419 4.225 10 0 FIAERO C[NH+]1CCN([C@H]2Cc3cc(Cl)ccc3Sc3cc(F)ccc32)CC1 ZINC000019802231 220298814 /nfs/dbraw/zinc/29/88/14/220298814.db2.gz GLHFLADPKLAAEW-KRWDZBQOSA-N 1 0 362.901 4.475 10 0 FIAERO CCOc1ccc([C@@H]([NH3+])c2cccc(Br)c2)cc1OCC ZINC000019967834 220308874 /nfs/dbraw/zinc/30/88/74/220308874.db2.gz SJJFCEKDHUETIA-KRWDZBQOSA-N 1 0 350.256 4.295 10 0 FIAERO O=C(CC1CC[NH2+]CC1)Nc1c(Cl)cc(Br)cc1Cl ZINC000038075037 220848796 /nfs/dbraw/zinc/84/87/96/220848796.db2.gz HCKMDPYNPOXMCB-UHFFFAOYSA-N 1 0 366.086 4.084 10 0 FIAERO CC[NH2+]Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000040730507 220917635 /nfs/dbraw/zinc/91/76/35/220917635.db2.gz WJFSFMZZBSFGGA-UHFFFAOYSA-N 1 0 351.082 4.108 10 0 FIAERO CC[N@@H+]1CCC[C@@](C(=O)Nc2ccc(OC)c(F)c2)(c2ccccc2)CC1 ZINC000065226059 221182451 /nfs/dbraw/zinc/18/24/51/221182451.db2.gz JRKHTVNWOWQXEB-QFIPXVFZSA-N 1 0 370.468 4.217 10 0 FIAERO CCc1nc(C)c(C[N@@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)[nH]1 ZINC000065525690 221229287 /nfs/dbraw/zinc/22/92/87/221229287.db2.gz HCZZAZPBOBCWAC-SFHVURJKSA-N 1 0 362.477 4.038 10 0 FIAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000095077371 221844839 /nfs/dbraw/zinc/84/48/39/221844839.db2.gz CLINQFBKYATLRW-SJORKVTESA-N 1 0 354.885 4.420 10 0 FIAERO CCCC[NH2+]C[C@@H](C)Oc1ccc(Br)cc1Br ZINC000104016680 222348314 /nfs/dbraw/zinc/34/83/14/222348314.db2.gz PUJUZEIJGLQULM-SNVBAGLBSA-N 1 0 365.109 4.369 10 0 FIAERO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875619 522573973 /nfs/dbraw/zinc/57/39/73/522573973.db2.gz RWVMWKDLSPMYIP-NSHDSACASA-N 1 0 358.663 4.223 10 0 FIAERO O=C(CN1CCCC[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000087493301 526741377 /nfs/dbraw/zinc/74/13/77/526741377.db2.gz IXGUCMUPPFLSGJ-OAHLLOKOSA-N 1 0 355.309 4.126 10 0 FIAERO Cc1nnc([C@H](N[C@H]2CC3(CCC3)Oc3ccccc32)c2ccccc2)[nH]1 ZINC000162577420 568034731 /nfs/dbraw/zinc/03/47/31/568034731.db2.gz AZAYCCFMMXRGIX-AZUAARDMSA-N 1 0 360.461 4.239 10 0 FIAERO CC(C)(C)C1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccccn3)cs2)[NH2+]1 ZINC000001415180 570499301 /nfs/dbraw/zinc/49/93/01/570499301.db2.gz CXEPPDYUHZXAQE-OAHLLOKOSA-N 1 0 370.400 4.068 10 0 FIAERO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000135940326 570621067 /nfs/dbraw/zinc/62/10/67/570621067.db2.gz BVTKAKUBBDISOM-LEWJYISDSA-N 1 0 366.505 4.427 10 0 FIAERO CCOC(=O)c1ccc(-c2nc3c(cc(C)c(N)c3Br)[nH]2)cc1 ZINC000078400743 571215787 /nfs/dbraw/zinc/21/57/87/571215787.db2.gz LHTQOKGTCIURAH-UHFFFAOYSA-N 1 0 374.238 4.060 10 0 FIAERO CC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1OC ZINC000155177202 1086491870 /nfs/dbraw/zinc/49/18/70/1086491870.db2.gz WUAXCYUTBLHDFJ-FQEVSTJZSA-N 1 0 370.468 4.180 10 0 FIAERO CCC(C)(C)c1ccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000333242563 1093802560 /nfs/dbraw/zinc/80/25/60/1093802560.db2.gz BIDBNCJXQZRRJX-WOJBJXKFSA-N 1 0 373.541 4.124 10 0 FIAERO CC(=O)Nc1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246782422 1099374952 /nfs/dbraw/zinc/37/49/52/1099374952.db2.gz QFTQYIIRTSONOU-AZUAARDMSA-N 1 0 356.466 4.106 10 0 FIAERO CC(C)C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000247945347 1099395481 /nfs/dbraw/zinc/39/54/81/1099395481.db2.gz DLHXCQXCAVNPIQ-DWLFOUALSA-N 1 0 352.526 4.064 10 0 FIAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc2ccccc2n1 ZINC000248170026 1099396910 /nfs/dbraw/zinc/39/69/10/1099396910.db2.gz UNWSOFXARFUMRA-BBTUJRGHSA-N 1 0 360.505 4.191 10 0 FIAERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Br)cc1F ZINC000249189207 1099416136 /nfs/dbraw/zinc/41/61/36/1099416136.db2.gz MUXOWIRJIFAIHN-RBOXIYTFSA-N 1 0 374.319 4.294 10 0 FIAERO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(Cl)c1 ZINC000252444635 1099489363 /nfs/dbraw/zinc/48/93/63/1099489363.db2.gz PNZPIOVGDZTYLT-CRAIPNDOSA-N 1 0 372.900 4.076 10 0 FIAERO Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Cl ZINC000081091924 1101408855 /nfs/dbraw/zinc/40/88/55/1101408855.db2.gz MADNJDZAIIVECH-RDJZCZTQSA-N 1 0 372.900 4.076 10 0 FIAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(-c2ccccc2)c1 ZINC000178048298 1101514497 /nfs/dbraw/zinc/51/44/97/1101514497.db2.gz YSPIEKBIESUFCW-KRWDZBQOSA-N 1 0 355.445 4.180 10 0 FIAERO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1OC ZINC000177857868 1101517200 /nfs/dbraw/zinc/51/72/00/1101517200.db2.gz PVZDAGYVUFMEBP-HXUWFJFHSA-N 1 0 352.478 4.041 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)c2ccc(F)cc2C1 ZINC000184510489 1101657195 /nfs/dbraw/zinc/65/71/95/1101657195.db2.gz ZLUUZWJQDWYMIH-SCLBCKFNSA-N 1 0 352.519 4.129 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)Cc2ccccc2C)c2ccc(F)cc2C1 ZINC000184516785 1101658766 /nfs/dbraw/zinc/65/87/66/1101658766.db2.gz LGHPSXBYOPUXRW-ZHRRBRCNSA-N 1 0 354.469 4.148 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184527660 1101659167 /nfs/dbraw/zinc/65/91/67/1101659167.db2.gz RTQDGKDZPNNAQK-AOMKIAJQSA-N 1 0 354.469 4.230 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1F ZINC000184526781 1101659605 /nfs/dbraw/zinc/65/96/05/1101659605.db2.gz WDCGDYVMFHHJBI-RBZFPXEDSA-N 1 0 374.431 4.118 10 0 FIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184538954 1101661281 /nfs/dbraw/zinc/66/12/81/1101661281.db2.gz RFXCSCUFMXEGHZ-BTYIYWSLSA-N 1 0 370.468 4.287 10 0 FIAERO CSc1ccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185350965 1101695166 /nfs/dbraw/zinc/69/51/66/1101695166.db2.gz VPRSCXHZZFEOMZ-FQEVSTJZSA-N 1 0 358.482 4.131 10 0 FIAERO c1ccc(-c2cnc(CNC3CC[NH+](C4CCCCC4)CC3)nc2)cc1 ZINC000186065528 1101754378 /nfs/dbraw/zinc/75/43/78/1101754378.db2.gz YSXZLEKKHBMZFW-UHFFFAOYSA-N 1 0 350.510 4.030 10 0 FIAERO Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000116474272 1102555403 /nfs/dbraw/zinc/55/54/03/1102555403.db2.gz VACDEVXCLQLOKR-AZUAARDMSA-N 1 0 366.509 4.039 10 0 FIAERO CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116481820 1102555877 /nfs/dbraw/zinc/55/58/77/1102555877.db2.gz VNYZBGQLYUENEB-FXAWDEMLSA-N 1 0 366.509 4.066 10 0 FIAERO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000136929210 1102992287 /nfs/dbraw/zinc/99/22/87/1102992287.db2.gz FKDKJLZKRWTBQY-QGZVFWFLSA-N 1 0 357.523 4.358 10 0 FIAERO Cc1c(Cl)cccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116474739 1109814057 /nfs/dbraw/zinc/81/40/57/1109814057.db2.gz NXHGINSDJXOKFI-KSSFIOAISA-N 1 0 372.900 4.076 10 0 FIAERO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)o2)o1 ZINC000245824986 1112229750 /nfs/dbraw/zinc/22/97/50/1112229750.db2.gz AQONPQXHXVZXQN-VXGBXAGGSA-N 1 0 366.259 4.247 10 0 FIAERO CN(C(=O)Cc1cccc2sccc21)[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000000607309 219305707 /nfs/dbraw/zinc/30/57/07/219305707.db2.gz SYHJZCCNQDFHJQ-RTBURBONSA-N 1 0 356.535 4.309 10 0 investigational FIAERO COc1cc2c(cc1O)C[C@H](CC1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000013449462 220068865 /nfs/dbraw/zinc/06/88/65/220068865.db2.gz DSMISVLYMKJMLP-IBGZPJMESA-N 1 0 365.473 4.058 10 0 endogenous,world FIAERO CC[NH+](CC)CCCNCc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000013734545 220090808 /nfs/dbraw/zinc/09/08/08/220090808.db2.gz HXXPARSSGXXJTB-UHFFFAOYSA-N 1 0 370.537 4.138 10 0 FIAERO CC[NH+](CC)CCCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000013734169 220091236 /nfs/dbraw/zinc/09/12/36/220091236.db2.gz GVHZTWVLCTTXMK-UHFFFAOYSA-N 1 0 374.500 4.235 10 0 FIAERO C[NH+](C)CCCN(Cc1ccccn1)Cc1ccc(Cl)cc1Cl ZINC000013990738 220101701 /nfs/dbraw/zinc/10/17/01/220101701.db2.gz WJJVBPSPTJZSMC-UHFFFAOYSA-N 1 0 352.309 4.342 10 0 FIAERO C[NH2+]CCCNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875707 220343768 /nfs/dbraw/zinc/34/37/68/220343768.db2.gz JUMZRKLYHSPEOS-UHFFFAOYSA-N 1 0 357.679 4.062 10 0 FIAERO CCCOc1c(C[NH2+]CCCOC(C)C)cc(Br)cc1OC ZINC000020934439 220346388 /nfs/dbraw/zinc/34/63/88/220346388.db2.gz CWDKLAYKPWPEGO-UHFFFAOYSA-N 1 0 374.319 4.151 10 0 FIAERO O=C(NCCCC[NH+]1CCCCC1)Nc1ccc(-c2ccc(F)cc2)nc1 ZINC000049035878 221017585 /nfs/dbraw/zinc/01/75/85/221017585.db2.gz LMGUUVWYFJIKCD-UHFFFAOYSA-N 1 0 370.472 4.275 10 0 FIAERO Cc1ccc(NC(=O)C[NH2+]Cc2scnc2-c2ccccc2)c(C)c1 ZINC000065404369 221214117 /nfs/dbraw/zinc/21/41/17/221214117.db2.gz VZVWQFAPCZENQC-UHFFFAOYSA-N 1 0 351.475 4.155 10 0 FIAERO Fc1ccc(-c2noc3c2C[N@H+](CCCc2cccnc2)CC3)cc1F ZINC000067965661 221309444 /nfs/dbraw/zinc/30/94/44/221309444.db2.gz WWLARPBWQZUYHV-UHFFFAOYSA-N 1 0 355.388 4.006 10 0 FIAERO CCCNc1c2c([nH+]c3ccc(I)cc31)CCC2 ZINC000103972606 222346810 /nfs/dbraw/zinc/34/68/10/222346810.db2.gz SBAQIHTUCAGERY-UHFFFAOYSA-N 1 0 352.219 4.150 10 0 FIAERO COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874952 522439376 /nfs/dbraw/zinc/43/93/76/522439376.db2.gz QDAIHHYOPXNDFP-UHFFFAOYSA-N 1 0 363.885 4.097 10 0 FIAERO CC(C)c1cc(N2CCC([NH3+])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073663212 535369519 /nfs/dbraw/zinc/36/95/19/535369519.db2.gz NAOPQKBOKYHEGA-UHFFFAOYSA-N 1 0 364.415 4.213 10 0 FIAERO Cc1nnc([C@H](N[C@@H](C)c2sc(C(C)C)nc2C)c2ccccc2)[nH]1 ZINC000162497684 568031232 /nfs/dbraw/zinc/03/12/32/568031232.db2.gz NUIPMGDAPAWYBY-BLLLJJGKSA-N 1 0 355.511 4.442 10 0 FIAERO O=C(NCC[C@H]1CCCC[NH2+]1)OCC1c2ccccc2-c2ccccc21 ZINC000725244713 570440973 /nfs/dbraw/zinc/44/09/73/570440973.db2.gz TWDOAHVHMDAVQM-MRXNPFEDSA-N 1 0 350.462 4.057 10 0 FIAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000329668640 1087168266 /nfs/dbraw/zinc/16/82/66/1087168266.db2.gz SCECUWJJKXTPKH-HUUCEWRRSA-N 1 0 362.271 4.016 10 0 FIAERO CC(C)(C)c1ccc2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)[nH]c2c1 ZINC000329747407 1087254477 /nfs/dbraw/zinc/25/44/77/1087254477.db2.gz ZIWFRVDPXMGLEA-MAUKXSAKSA-N 1 0 366.465 4.051 10 0 FIAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000163215695 1091860152 /nfs/dbraw/zinc/86/01/52/1091860152.db2.gz ONWZSECAUMFHEX-JZWVFAODSA-N 1 0 361.489 4.264 10 0 FIAERO C[C@H]1CCN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C[C@@H]1n1ccnc1 ZINC000332930659 1092964455 /nfs/dbraw/zinc/96/44/55/1092964455.db2.gz DBIHTFTXMUKWEU-XOQVMUHJSA-N 1 0 372.900 4.075 10 0 FIAERO Cc1cc2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)oc2cc1C ZINC000329687325 1095123692 /nfs/dbraw/zinc/12/36/92/1095123692.db2.gz VELFUGQRAFRHQG-PXNSSMCTSA-N 1 0 353.422 4.025 10 0 FIAERO Cc1cc2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)oc2cc1C ZINC000329687331 1095123873 /nfs/dbraw/zinc/12/38/73/1095123873.db2.gz VELFUGQRAFRHQG-YLJYHZDGSA-N 1 0 353.422 4.025 10 0 FIAERO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)ccc1SC ZINC000246581348 1099369252 /nfs/dbraw/zinc/36/92/52/1099369252.db2.gz YQJKHOVFLKLENT-JOQOYGCGSA-N 1 0 353.553 4.122 10 0 FIAERO CCO[C@H](C)c1noc(CNc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)n1 ZINC000246652160 1099372567 /nfs/dbraw/zinc/37/25/67/1099372567.db2.gz AJYHMNGMQJJPTM-HUUCEWRRSA-N 1 0 358.486 4.139 10 0 FIAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000247016144 1099381558 /nfs/dbraw/zinc/38/15/58/1099381558.db2.gz MRJKHKJYEYFQHV-RDTXWAMCSA-N 1 0 374.435 4.051 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccccc2)c2ccc(F)cc2C1 ZINC000248702607 1099407527 /nfs/dbraw/zinc/40/75/27/1099407527.db2.gz GMFFPBXJOKHQRL-WCJKSRRJSA-N 1 0 354.469 4.401 10 0 FIAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000248740675 1099408619 /nfs/dbraw/zinc/40/86/19/1099408619.db2.gz QZVGSQWIOINRRO-XFHKCVFHSA-N 1 0 355.507 4.122 10 0 FIAERO C[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000173989992 1101377519 /nfs/dbraw/zinc/37/75/19/1101377519.db2.gz JNTVGAZBZRNNRZ-CYBMUJFWSA-N 1 0 368.868 4.432 10 0 FIAERO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000176901840 1101480220 /nfs/dbraw/zinc/48/02/20/1101480220.db2.gz PVOAWYPTBUBAQS-HNNXBMFYSA-N 1 0 361.536 4.296 10 0 FIAERO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178056379 1101514469 /nfs/dbraw/zinc/51/44/69/1101514469.db2.gz ZZWOQFKGVWLCFU-QGZVFWFLSA-N 1 0 365.481 4.082 10 0 FIAERO O=C(CCCc1cccc(C(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000184117779 1101646225 /nfs/dbraw/zinc/64/62/25/1101646225.db2.gz KCUGUWCCMUMNMZ-UHFFFAOYSA-N 1 0 368.443 4.115 10 0 FIAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184528558 1101659496 /nfs/dbraw/zinc/65/94/96/1101659496.db2.gz VSMMWAUDNBRAAD-NYHFZMIOSA-N 1 0 370.468 4.369 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000185362858 1101696467 /nfs/dbraw/zinc/69/64/67/1101696467.db2.gz NARYYDNGRKUUNX-GMKGHPLGSA-N 1 0 356.416 4.061 10 0 FIAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000126201801 1102700571 /nfs/dbraw/zinc/70/05/71/1102700571.db2.gz BCOUIUQHGDRLRI-NJSLBKSFSA-N 1 0 363.427 4.060 10 0 FIAERO C[C@@H]1C[C@@H](N[C@@H](c2cccs2)c2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000195055150 1103081319 /nfs/dbraw/zinc/08/13/19/1103081319.db2.gz MZXONRPNZXZGBB-KPFFTGBYSA-N 1 0 366.534 4.203 10 0 FIAERO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](c4nccs4)C3)o2)cc1 ZINC000195357992 1103085574 /nfs/dbraw/zinc/08/55/74/1103085574.db2.gz CXTBTDHFDLRLAQ-HNNXBMFYSA-N 1 0 355.463 4.186 10 0 FIAERO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)o2)o1 ZINC000245824982 1112229173 /nfs/dbraw/zinc/22/91/73/1112229173.db2.gz AQONPQXHXVZXQN-NWDGAFQWSA-N 1 0 366.259 4.247 10 0 FIAERO CN1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628420 529794374 /nfs/dbraw/zinc/79/43/74/529794374.db2.gz HFFHCSNWRCFRMJ-UVUJQTEASA-N 1 0 353.485 4.139 10 0 FIAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCCc1ccccc1 ZINC000013721991 220089042 /nfs/dbraw/zinc/08/90/42/220089042.db2.gz HTXZWNWXNLIFDQ-UHFFFAOYSA-N 1 0 357.494 4.221 10 0 FIAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccc(C)cc1 ZINC000013721892 220089608 /nfs/dbraw/zinc/08/96/08/220089608.db2.gz JROZIOHLHFNDOM-UHFFFAOYSA-N 1 0 357.494 4.487 10 0 FIAERO CCOc1cc(C[NH2+]CCCOC)cc(Cl)c1OCc1ccccc1 ZINC000013722364 220090044 /nfs/dbraw/zinc/09/00/44/220090044.db2.gz LUWZGSNAQCOULH-UHFFFAOYSA-N 1 0 363.885 4.444 10 0 FIAERO CN(C)C(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)s1 ZINC000019145577 220237183 /nfs/dbraw/zinc/23/71/83/220237183.db2.gz BMRKZUBBTKRHBC-KRWDZBQOSA-N 1 0 353.491 4.268 10 0 FIAERO C[NH2+]Cc1cc(Br)c(OCc2ccccc2C)c(OC)c1 ZINC000019777693 220295731 /nfs/dbraw/zinc/29/57/31/220295731.db2.gz VSILYSDSYDLXKN-UHFFFAOYSA-N 1 0 350.256 4.065 10 0 FIAERO Cc1cc(C)c([C@@H]([NH3+])c2ccccc2I)c(C)c1 ZINC000019968706 220309255 /nfs/dbraw/zinc/30/92/55/220309255.db2.gz LGPTUXGEKCHFDJ-INIZCTEOSA-N 1 0 351.231 4.265 10 0 FIAERO CC(=O)Nc1ccc2[nH]c(C)c([C@H](c3ccccn3)[NH+]3CCCCC3)c2c1 ZINC000021805613 220367139 /nfs/dbraw/zinc/36/71/39/220367139.db2.gz DGVJGQCRZHCNHG-QFIPXVFZSA-N 1 0 362.477 4.405 10 0 FIAERO C[NH2+][C@H](c1ccc(I)cc1)c1ccc(C)cc1C ZINC000035468112 220785402 /nfs/dbraw/zinc/78/54/02/220785402.db2.gz SOPSVYXNPBZBBC-MRXNPFEDSA-N 1 0 351.231 4.217 10 0 FIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(I)cc1 ZINC000035581153 220790134 /nfs/dbraw/zinc/79/01/34/220790134.db2.gz UIORQGIUQYLVBL-AWEZNQCLSA-N 1 0 357.260 4.442 10 0 FIAERO [NH3+]C[C@H](Oc1ccc(Br)cc1)c1ccccc1Br ZINC000043094214 220944327 /nfs/dbraw/zinc/94/43/27/220944327.db2.gz FNPSUTZZRNLKTO-AWEZNQCLSA-N 1 0 371.072 4.290 10 0 FIAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])c3cc(C(F)(F)F)ccc32)CC1 ZINC000044136813 220953006 /nfs/dbraw/zinc/95/30/06/220953006.db2.gz VJSOKMDSYXKMSU-HNNXBMFYSA-N 1 0 370.415 4.378 10 0 FIAERO CC(C)[C@@H](O)c1ccc2c(c1)C[N@@H+](Cc1c[nH]c3ccccc13)CCO2 ZINC000055042268 221057170 /nfs/dbraw/zinc/05/71/70/221057170.db2.gz YFPRNWDRBWOCJP-JOCHJYFZSA-N 1 0 350.462 4.252 10 0 FIAERO COc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073684826 523221251 /nfs/dbraw/zinc/22/12/51/523221251.db2.gz AMFVEMMOJREGDW-QGZVFWFLSA-N 1 0 374.488 4.231 10 0 FIAERO Fc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)cc1 ZINC000073684406 526317170 /nfs/dbraw/zinc/31/71/70/526317170.db2.gz VMMHISWOCNHBCG-UHFFFAOYSA-N 1 0 362.452 4.361 10 0 FIAERO Clc1cccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)c1 ZINC000073685204 526973140 /nfs/dbraw/zinc/97/31/40/526973140.db2.gz MZLNOQJZYULFBS-QGZVFWFLSA-N 1 0 365.868 4.023 10 0 FIAERO CCOc1cccc(CNC[C@H]2CCC[N@@H+]2CC)c1OCc1ccccc1 ZINC000022936702 570953890 /nfs/dbraw/zinc/95/38/90/570953890.db2.gz BLFNJVCRFFNHEG-OAQYLSRUSA-N 1 0 368.521 4.238 10 0 FIAERO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028427997 571026570 /nfs/dbraw/zinc/02/65/70/571026570.db2.gz FKYDLUZQDIMVSE-OAHLLOKOSA-N 1 0 354.277 4.433 10 0 FIAERO C[NH2+]CCCNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428339 571026602 /nfs/dbraw/zinc/02/66/02/571026602.db2.gz BXTIDOZXTKKINX-UHFFFAOYSA-N 1 0 353.293 4.272 10 0 FIAERO CN(C)[C@](C)(C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000075582556 571201173 /nfs/dbraw/zinc/20/11/73/571201173.db2.gz PYVMOAYUUSCPEP-QHCPKHFHSA-N 1 0 365.521 4.088 10 0 FIAERO O=C(CCCc1csc2ccccc12)N1CCC([NH+]2CCCC2)CC1 ZINC000151188980 1083968004 /nfs/dbraw/zinc/96/80/04/1083968004.db2.gz YNIJEPJKQAXQEW-UHFFFAOYSA-N 1 0 356.535 4.311 10 0 FIAERO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1OC ZINC000155177306 1086492036 /nfs/dbraw/zinc/49/20/36/1086492036.db2.gz WUAXCYUTBLHDFJ-HXUWFJFHSA-N 1 0 370.468 4.180 10 0 FIAERO Cc1nc([C@H](C)[NH+]2CCC(n3cncn3)CC2)oc1-c1ccc(Cl)cc1 ZINC000155937038 1086607896 /nfs/dbraw/zinc/60/78/96/1086607896.db2.gz BIXOOYUVQAXCGS-AWEZNQCLSA-N 1 0 371.872 4.293 10 0 FIAERO C[C@@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000163407222 1091870406 /nfs/dbraw/zinc/87/04/06/1091870406.db2.gz CRUYTJOVCMMKGN-HNNXBMFYSA-N 1 0 368.443 4.286 10 0 FIAERO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc4cc(Cl)ccc4o3)n1)OC2 ZINC000329565070 1094975175 /nfs/dbraw/zinc/97/51/75/1094975175.db2.gz HECGBIOWMSAMRS-QAPCUYQASA-N 1 0 359.813 4.062 10 0 FIAERO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000246591132 1099369402 /nfs/dbraw/zinc/36/94/02/1099369402.db2.gz ZIJHVEJSKPJCGR-CEXWTWQISA-N 1 0 367.537 4.397 10 0 FIAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248740657 1099408963 /nfs/dbraw/zinc/40/89/63/1099408963.db2.gz QZVGSQWIOINRRO-HZZDSMARSA-N 1 0 355.507 4.122 10 0 FIAERO C[C@@H]1C[C@@H](N[C@H](c2cccs2)c2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000249098464 1099414426 /nfs/dbraw/zinc/41/44/26/1099414426.db2.gz MZXONRPNZXZGBB-IMFGXOCKSA-N 1 0 366.534 4.203 10 0 FIAERO C[C@@H](NC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2)c1cc2ccccc2o1 ZINC000173990702 1101387214 /nfs/dbraw/zinc/38/72/14/1101387214.db2.gz QJHNQMRXOARULT-CABCVRRESA-N 1 0 363.461 4.056 10 0 FIAERO C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCOC2)c1ccccc1-n1cccn1 ZINC000183171735 1101621585 /nfs/dbraw/zinc/62/15/85/1101621585.db2.gz RHIHILFJLRBIPM-AWEZNQCLSA-N 1 0 369.852 4.243 10 0 FIAERO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1F ZINC000184513191 1101656672 /nfs/dbraw/zinc/65/66/72/1101656672.db2.gz QFJJXLHSHUTZGD-RBZFPXEDSA-N 1 0 374.431 4.118 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)c2ccc(F)cc2C1 ZINC000184519147 1101658855 /nfs/dbraw/zinc/65/88/55/1101658855.db2.gz ONYZTHHWECFLKM-CMJOXMDJSA-N 1 0 366.480 4.459 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)c2ccc(F)cc2C1 ZINC000184519861 1101658999 /nfs/dbraw/zinc/65/89/99/1101658999.db2.gz KXMYRGGTYWJXFP-SFTDATJTSA-N 1 0 356.416 4.035 10 0 FIAERO Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000184479710 1101664442 /nfs/dbraw/zinc/66/44/42/1101664442.db2.gz IFWUHFRXNAQBAD-UHFFFAOYSA-N 1 0 370.522 4.211 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)c2ccc(F)cc2C1 ZINC000185365234 1101696888 /nfs/dbraw/zinc/69/68/88/1101696888.db2.gz ZJGSPRZOBUWMDV-LJQANCHMSA-N 1 0 364.823 4.201 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+]CC[C@@H](C)c2ccccc2)c2ccc(F)cc2C1 ZINC000186374698 1101766676 /nfs/dbraw/zinc/76/66/76/1101766676.db2.gz MJAFWHRZHCNUQE-OPAMFIHVSA-N 1 0 354.469 4.402 10 0 FIAERO CCS(=O)(=O)CCCCCNc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000190815707 1101929126 /nfs/dbraw/zinc/92/91/26/1101929126.db2.gz BWVMKQUKJXOFPZ-KRWDZBQOSA-N 1 0 366.571 4.064 10 0 FIAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000126276019 1102701076 /nfs/dbraw/zinc/70/10/76/1102701076.db2.gz AXABPDILWFPPKY-BXWFABGCSA-N 1 0 366.534 4.253 10 0 FIAERO Cc1c(Cl)cccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116474738 1109813752 /nfs/dbraw/zinc/81/37/52/1109813752.db2.gz NXHGINSDJXOKFI-KBXCAEBGSA-N 1 0 372.900 4.076 10 0 FIAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463187972 1118017176 /nfs/dbraw/zinc/01/71/76/1118017176.db2.gz ABLCVNLFPWZVAM-ZRCGQRJVSA-N 1 0 352.522 4.234 10 0 FIAERO O=C1CCCN1CCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013728060 220090554 /nfs/dbraw/zinc/09/05/54/220090554.db2.gz NVRNCGRVEORDNR-UHFFFAOYSA-N 1 0 372.896 4.021 10 0 FIAERO FC(F)(F)c1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000014978490 220138371 /nfs/dbraw/zinc/13/83/71/220138371.db2.gz LWOGPOUTFLJWGK-IBGZPJMESA-N 1 0 352.444 4.403 10 0 FIAERO CC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873844 220343887 /nfs/dbraw/zinc/34/38/87/220343887.db2.gz XITZHSNMLSIHSM-UHFFFAOYSA-N 1 0 364.283 4.455 10 0 FIAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(I)cc1 ZINC000037565996 220840186 /nfs/dbraw/zinc/84/01/86/220840186.db2.gz RIWKXDIGJUCKPM-IUODEOHRSA-N 1 0 363.242 4.282 10 0 FIAERO CC[C@H]([NH3+])[C@H](Oc1cccc(I)c1)c1cccs1 ZINC000043111225 220944314 /nfs/dbraw/zinc/94/43/14/220944314.db2.gz CJPHTMDXFMJGIR-JSGCOSHPSA-N 1 0 373.259 4.210 10 0 FIAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)Cc1cc(Br)cs1 ZINC000043105987 220944360 /nfs/dbraw/zinc/94/43/60/220944360.db2.gz MDAMURNGWXGFEY-TZMCWYRMSA-N 1 0 359.358 4.483 10 0 FIAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)s1)n1nc(C)c(Cl)c1C ZINC000050586110 221031610 /nfs/dbraw/zinc/03/16/10/221031610.db2.gz XPXWLXIMULATNB-NOZJJQNGSA-N 1 0 362.724 4.304 10 0 FIAERO CCOc1ccc(C)cc1[C@H]([NH3+])c1cccc(I)c1 ZINC000051599012 221037105 /nfs/dbraw/zinc/03/71/05/221037105.db2.gz FJVFSBQGNCDOHX-MRXNPFEDSA-N 1 0 367.230 4.046 10 0 FIAERO Cc1cccn2c(=O)c(C[N@@H+](Cc3ccco3)[C@@H](C)C(C)C)c(Cl)nc12 ZINC000055133786 221059737 /nfs/dbraw/zinc/05/97/37/221059737.db2.gz PIISCOGTRYJSIX-HNNXBMFYSA-N 1 0 373.884 4.296 10 0 FIAERO CC[NH2+][C@@H](C)c1ccc(Sc2nnc(C)s2)c(Br)c1 ZINC000061700255 221134236 /nfs/dbraw/zinc/13/42/36/221134236.db2.gz HZNSPWPRXFBNGS-QMMMGPOBSA-N 1 0 358.330 4.431 10 0 FIAERO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCN(c3ccccc3)C[C@@H]2C)cc1C ZINC000055225620 136126182 /nfs/dbraw/zinc/12/61/82/136126182.db2.gz APINLRPTQLXRGW-IBGZPJMESA-N 1 0 360.505 4.404 10 0 FIAERO Clc1ccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)cc1 ZINC000073685299 221566478 /nfs/dbraw/zinc/56/64/78/221566478.db2.gz PEVKKDIEBHKQJN-QGZVFWFLSA-N 1 0 365.868 4.023 10 0 FIAERO CCCC[NH2+]C[C@H](C)Oc1ccc(Br)cc1Br ZINC000104016686 222348550 /nfs/dbraw/zinc/34/85/50/222348550.db2.gz PUJUZEIJGLQULM-JTQLQIEISA-N 1 0 365.109 4.369 10 0 FIAERO [NH3+]CCCCCNc1c(C(=O)C(F)(F)F)cnc2cc(Cl)ccc21 ZINC000097757695 263431912 /nfs/dbraw/zinc/43/19/12/263431912.db2.gz SZLFMJAMAXGUDD-UHFFFAOYSA-N 1 0 359.779 4.174 10 0 FIAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2nc(C(C)C)cs2)C1 ZINC000020600984 521421587 /nfs/dbraw/zinc/42/15/87/521421587.db2.gz ITYUARFLRFFEKQ-GOSISDBHSA-N 1 0 358.555 4.148 10 0 FIAERO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000020915950 522956903 /nfs/dbraw/zinc/95/69/03/522956903.db2.gz ICPJTVHBFQRLMV-QHCPKHFHSA-N 1 0 359.517 4.374 10 0 FIAERO OCC1(C[C@@H]2CCCCO2)CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000082039350 527524312 /nfs/dbraw/zinc/52/43/12/527524312.db2.gz UVMNZWJADGJADY-SFHVURJKSA-N 1 0 359.535 4.435 10 0 FIAERO CCn1nc(C)c(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)c1C ZINC000011997281 570713643 /nfs/dbraw/zinc/71/36/43/570713643.db2.gz BVLHDCWXFPEUDW-UHFFFAOYSA-N 1 0 369.553 4.117 10 0 FIAERO CC[N@@H+]1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000022936755 570953989 /nfs/dbraw/zinc/95/39/89/570953989.db2.gz XSXWVPJZOYACFM-NRFANRHFSA-N 1 0 368.521 4.157 10 0 FIAERO COc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)c(C)c1 ZINC000075487951 571190440 /nfs/dbraw/zinc/19/04/40/571190440.db2.gz MFPRWNLUJSOXBZ-UHFFFAOYSA-N 1 0 357.479 4.169 10 0 FIAERO CC(C)[NH2+]Cc1cc(Br)cc(Br)c1OC(C)C ZINC000040730056 571236787 /nfs/dbraw/zinc/23/67/87/571236787.db2.gz GSOYPSCBRSMWLU-UHFFFAOYSA-N 1 0 365.109 4.497 10 0 FIAERO O=C(Nc1ccccc1F)N1CCC(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000006877331 571252161 /nfs/dbraw/zinc/25/21/61/571252161.db2.gz CVSHUEYYKOJPNA-UHFFFAOYSA-N 1 0 367.468 4.128 10 0 FIAERO Cc1cc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)ccc1Br ZINC000675055426 571271235 /nfs/dbraw/zinc/27/12/35/571271235.db2.gz SHNDNEBZTWPRTH-DZGCQCFKSA-N 1 0 369.303 4.075 10 0 FIAERO Cc1nc(N2CCC[C@@H]([NH2+]Cc3cccs3)CC2)nc2ccc(F)cc12 ZINC000012132235 571312358 /nfs/dbraw/zinc/31/23/58/571312358.db2.gz WPIQCHGMASKVJW-MRXNPFEDSA-N 1 0 370.497 4.288 10 0 FIAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000246472006 1099362585 /nfs/dbraw/zinc/36/25/85/1099362585.db2.gz QPNFXJONODHTBT-ALKREAHSSA-N 1 0 371.493 4.253 10 0 FIAERO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H](c4nccs4)C3)n2)cc1 ZINC000246618989 1099371978 /nfs/dbraw/zinc/37/19/78/1099371978.db2.gz JVIWKCBGKQNBTD-UKRRQHHQSA-N 1 0 370.478 4.142 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c2ccc(F)cc2C1 ZINC000248657831 1099405845 /nfs/dbraw/zinc/40/58/45/1099405845.db2.gz XOEIXELIZMPNTK-SVIJTADQSA-N 1 0 356.441 4.125 10 0 FIAERO C[C@@H]1C[C@H](N[C@H](c2cccs2)c2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000249098467 1099414667 /nfs/dbraw/zinc/41/46/67/1099414667.db2.gz MZXONRPNZXZGBB-YVWKXTFCSA-N 1 0 366.534 4.203 10 0 FIAERO CN1CC[C@H](CNC(=O)c2ccoc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249298472 1099419532 /nfs/dbraw/zinc/41/95/32/1099419532.db2.gz LDRYMARNVIUNGI-IAQYHMDHSA-N 1 0 371.239 4.148 10 0 FIAERO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(Cl)c1 ZINC000252444636 1099489017 /nfs/dbraw/zinc/48/90/17/1099489017.db2.gz PNZPIOVGDZTYLT-QAPCUYQASA-N 1 0 372.900 4.076 10 0 FIAERO c1ncn(-c2ncccc2C[NH2+][C@H](CCc2ccccc2)c2ccccc2)n1 ZINC000178054177 1101514612 /nfs/dbraw/zinc/51/46/12/1101514612.db2.gz VOZPWXXSNWQDLP-JOCHJYFZSA-N 1 0 369.472 4.126 10 0 FIAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(-c2cccs2)cc1 ZINC000178049323 1101514989 /nfs/dbraw/zinc/51/49/89/1101514989.db2.gz OGLOHHVOOQVKGF-HNNXBMFYSA-N 1 0 361.474 4.242 10 0 FIAERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc2cc(OC)ccc2c1 ZINC000178051909 1101515142 /nfs/dbraw/zinc/51/51/42/1101515142.db2.gz JAZUPJQIGSUEGR-OAQYLSRUSA-N 1 0 373.460 4.065 10 0 FIAERO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000184117699 1101646424 /nfs/dbraw/zinc/64/64/24/1101646424.db2.gz CTAYWLVQNVABPS-UHFFFAOYSA-N 1 0 360.807 4.059 10 0 FIAERO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1F ZINC000184514891 1101656788 /nfs/dbraw/zinc/65/67/88/1101656788.db2.gz KPXCUELICCDVLB-NHCUHLMSSA-N 1 0 358.432 4.499 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2N(C)C)c2ccc(F)cc2C1 ZINC000184513914 1101657602 /nfs/dbraw/zinc/65/76/02/1101657602.db2.gz LQAUTZORYKPLKC-VFNWGFHPSA-N 1 0 369.484 4.036 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2F)c2ccc(F)cc2C1 ZINC000184524256 1101659886 /nfs/dbraw/zinc/65/98/86/1101659886.db2.gz LBTKXONIOPIHTA-ODXCJYRJSA-N 1 0 362.395 4.248 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CCc2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184535770 1101660711 /nfs/dbraw/zinc/66/07/11/1101660711.db2.gz NYFDRZMNMZITBO-IVZQSRNASA-N 1 0 372.459 4.369 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC(C)C)cc2)c2ccc(F)cc2C1 ZINC000185356132 1101697023 /nfs/dbraw/zinc/69/70/23/1101697023.db2.gz WIEGMDQAEGOPSI-QFIPXVFZSA-N 1 0 370.468 4.196 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)c2ccc(F)cc2C1 ZINC000187400152 1101806855 /nfs/dbraw/zinc/80/68/55/1101806855.db2.gz RMRQNTVVIOBYAX-AOMKIAJQSA-N 1 0 354.469 4.087 10 0 FIAERO Brc1ccccc1-c1noc([C@@H]2CCCN2Cc2cc[nH]c2)n1 ZINC000191205706 1101937476 /nfs/dbraw/zinc/93/74/76/1101937476.db2.gz DDFNFJUXRVRVJK-HNNXBMFYSA-N 1 0 373.254 4.164 10 0 FIAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)C12CCCC2 ZINC000121145377 1102641438 /nfs/dbraw/zinc/64/14/38/1102641438.db2.gz KIJSRQJFKDWPBS-ZWKOTPCHSA-N 1 0 355.482 4.215 10 0 FIAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)C12CCCC2 ZINC000121145869 1102641484 /nfs/dbraw/zinc/64/14/84/1102641484.db2.gz KIJSRQJFKDWPBS-MSOLQXFVSA-N 1 0 355.482 4.215 10 0 FIAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000126201567 1102700215 /nfs/dbraw/zinc/70/02/15/1102700215.db2.gz BCOUIUQHGDRLRI-TYILLQQXSA-N 1 0 363.427 4.060 10 0 FIAERO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccccc4)o3)C2)n1 ZINC000249919029 1112490840 /nfs/dbraw/zinc/49/08/40/1112490840.db2.gz YGFQZTKICFZRKS-ZBFHGGJFSA-N 1 0 354.479 4.442 10 0 FIAERO C[NH2+]Cc1cc(Br)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000019777432 220297386 /nfs/dbraw/zinc/29/73/86/220297386.db2.gz KSYHDNLNPRBACT-UHFFFAOYSA-N 1 0 370.674 4.410 10 0 FIAERO COc1ccc([C@H]([NH3+])c2cccc(Br)c2)cc1Br ZINC000020522015 220331704 /nfs/dbraw/zinc/33/17/04/220331704.db2.gz IHPRTZMHGICHSU-CQSZACIVSA-N 1 0 371.072 4.268 10 0 FIAERO C[NH2+][C@H](c1cccc(I)c1)c1ccc(C)cc1C ZINC000035468110 220784342 /nfs/dbraw/zinc/78/43/42/220784342.db2.gz WMZBPJGSXNXONY-MRXNPFEDSA-N 1 0 351.231 4.217 10 0 FIAERO C[C@H]([NH3+])c1ccc(Oc2ccc(I)cc2)c(F)c1 ZINC000036904124 220831199 /nfs/dbraw/zinc/83/11/99/220831199.db2.gz FYJSCSHMIFETGI-VIFPVBQESA-N 1 0 357.166 4.242 10 0 FIAERO C[N@H+](Cc1ccoc1)Cc1cccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)c1 ZINC000048306459 221006909 /nfs/dbraw/zinc/00/69/09/221006909.db2.gz OKQUKHLYZPKWBY-UHFFFAOYSA-N 1 0 372.428 4.136 10 0 FIAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)s1)n1nc(C)c(Cl)c1C ZINC000050586108 221032690 /nfs/dbraw/zinc/03/26/90/221032690.db2.gz XPXWLXIMULATNB-TVQRCGJNSA-N 1 0 362.724 4.304 10 0 FIAERO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](CCc2cccs2)C[C@H]1C ZINC000064633473 221150315 /nfs/dbraw/zinc/15/03/15/221150315.db2.gz SRARDYUHGVMEQI-YLJYHZDGSA-N 1 0 356.535 4.444 10 0 in-man FIAERO C[C@@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccc(Cl)cc1 ZINC000067841742 221291984 /nfs/dbraw/zinc/29/19/84/221291984.db2.gz RQKXJJHPOUHAQF-CQSZACIVSA-N 1 0 355.869 4.021 10 0 FIAERO Cc1ccc(-c2ccccc2C[C@@]2(C(=O)NC(C)C)CCC[NH2+]C2)cc1 ZINC000072391925 221493500 /nfs/dbraw/zinc/49/35/00/221493500.db2.gz SFYDGXVZKLIPMT-QHCPKHFHSA-N 1 0 350.506 4.099 10 0 FIAERO Cc1cc2[nH]c(C(=O)Nc3c(F)cc(F)cc3F)c(C[NH+](C)C)c2s1 ZINC000096363844 222117161 /nfs/dbraw/zinc/11/71/61/222117161.db2.gz JOPOBXWTPBQNLE-UHFFFAOYSA-N 1 0 367.396 4.269 10 0 FIAERO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccc(I)cc1 ZINC000103978750 222347482 /nfs/dbraw/zinc/34/74/82/222347482.db2.gz ZQXAWHOBYCIKMU-JCURWCKSSA-N 1 0 363.242 4.498 10 0 FIAERO Cc1nnc(Sc2cc(Br)ccc2C[NH2+]C(C)C)s1 ZINC000104294627 222353530 /nfs/dbraw/zinc/35/35/30/222353530.db2.gz LUDRBZLAVUGUCD-UHFFFAOYSA-N 1 0 358.330 4.258 10 0 FIAERO CCOc1cc(C[NH2+]C)cc(Br)c1OCc1cccc(C)c1 ZINC000019777894 263376827 /nfs/dbraw/zinc/37/68/27/263376827.db2.gz HEVMYVOZKHUELN-UHFFFAOYSA-N 1 0 364.283 4.455 10 0 FIAERO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](OCC[NH3+])c2cccc(Cl)c2)C1 ZINC000088365566 518805897 /nfs/dbraw/zinc/80/58/97/518805897.db2.gz IHAXPLZASWQHMO-WBVHZDCISA-N 1 0 368.905 4.004 10 0 FIAERO CCOc1ccc(C[NH2+]CCc2ccccc2F)cc1Br ZINC000020476749 521002645 /nfs/dbraw/zinc/00/26/45/521002645.db2.gz NCIYGUKGZCOMOV-UHFFFAOYSA-N 1 0 352.247 4.319 10 0 FIAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C12CCOCC2 ZINC000186294754 567899663 /nfs/dbraw/zinc/89/96/63/567899663.db2.gz BCFLZHHAJPFLBV-IAOVAPTHSA-N 1 0 368.315 4.074 10 0 FIAERO FC(F)n1ccnc1CN[C@H]1CCCOc2cc(Br)ccc21 ZINC000162261696 567993289 /nfs/dbraw/zinc/99/32/89/567993289.db2.gz SUOZVUZJUATZAE-LBPRGKRZSA-N 1 0 372.213 4.044 10 0 FIAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000228488505 568080230 /nfs/dbraw/zinc/08/02/30/568080230.db2.gz STEQMCYABPKINX-BHYGNILZSA-N 1 0 356.279 4.104 10 0 FIAERO Clc1ccc(COc2cccc(C[NH2+]CCCn3ccnc3)c2)cc1 ZINC000010314018 570699750 /nfs/dbraw/zinc/69/97/50/570699750.db2.gz KSGFWKBZBPNRSJ-UHFFFAOYSA-N 1 0 355.869 4.295 10 0 FIAERO Cc1cc(Br)ccc1[C@@H]1C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000675054722 571175687 /nfs/dbraw/zinc/17/56/87/571175687.db2.gz PCKZAOLZTGTTTG-HIFRSBDPSA-N 1 0 369.303 4.157 10 0 FIAERO [NH3+][C@H]1CC[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725244145 571242294 /nfs/dbraw/zinc/24/22/94/571242294.db2.gz OOOPTSJDBINRBR-IYBDPMFKSA-N 1 0 350.462 4.043 10 0 FIAERO O=C(c1cc2cn(C3CC3)cc2s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065285653 571260088 /nfs/dbraw/zinc/26/00/88/571260088.db2.gz FYMMJGSWDICLDY-UHFFFAOYSA-N 1 0 357.523 4.128 10 0 FIAERO Cc1nc(N2CCC[C@H]([NH2+]Cc3cccs3)CC2)nc2ccc(F)cc12 ZINC000012132242 571312321 /nfs/dbraw/zinc/31/23/21/571312321.db2.gz WPIQCHGMASKVJW-INIZCTEOSA-N 1 0 370.497 4.288 10 0 FIAERO C[N@@H+](Cc1cccc2cnccc21)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328629047 571325134 /nfs/dbraw/zinc/32/51/34/571325134.db2.gz HVVOSYXQLYKSAB-CQSZACIVSA-N 1 0 374.410 4.145 10 0 FIAERO Cc1c([C@@H](C)N[C@@H](c2ccccc2)c2ccncc2)cnn1-c1ccccn1 ZINC000156249428 1086656447 /nfs/dbraw/zinc/65/64/47/1086656447.db2.gz UAJQUTWOWLYXJH-HXOBKFHXSA-N 1 0 369.472 4.411 10 0 FIAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000246456923 1099351654 /nfs/dbraw/zinc/35/16/54/1099351654.db2.gz FNSFPZOVBHKGNO-SJLPKXTDSA-N 1 0 374.506 4.141 10 0 FIAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)CCCS2 ZINC000249194728 1099416391 /nfs/dbraw/zinc/41/63/91/1099416391.db2.gz QESRPLFAETUCDZ-BJZITVGISA-N 1 0 365.564 4.267 10 0 FIAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(-c2ccccc2)cc1 ZINC000178054384 1101514774 /nfs/dbraw/zinc/51/47/74/1101514774.db2.gz ZBRRRCTZEVBBJT-QGZVFWFLSA-N 1 0 355.445 4.180 10 0 FIAERO O=C1Nc2ccccc2[C@H]1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183740717 1101632294 /nfs/dbraw/zinc/63/22/94/1101632294.db2.gz UXDBIQMDDPIQFT-NQIIRXRSSA-N 1 0 361.420 4.026 10 0 FIAERO O=C1Nc2ccccc2[C@H]1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183740736 1101632589 /nfs/dbraw/zinc/63/25/89/1101632589.db2.gz UXDBIQMDDPIQFT-WIYYLYMNSA-N 1 0 361.420 4.026 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)c2ccc(F)cc2C1 ZINC000184512999 1101657401 /nfs/dbraw/zinc/65/74/01/1101657401.db2.gz RPFFURPCFZEAPD-PMACEKPBSA-N 1 0 370.493 4.446 10 0 FIAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2F)c2ccc(F)cc2C1 ZINC000184513993 1101657536 /nfs/dbraw/zinc/65/75/36/1101657536.db2.gz UCCUMNYJGUJMSX-BLVKFPJESA-N 1 0 362.395 4.248 10 0 FIAERO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184511303 1101657841 /nfs/dbraw/zinc/65/78/41/1101657841.db2.gz LQTJZRAZABQKTR-IFMALSPDSA-N 1 0 354.469 4.230 10 0 FIAERO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)c2ccc(F)cc2C1 ZINC000184519881 1101658943 /nfs/dbraw/zinc/65/89/43/1101658943.db2.gz KXMYRGGTYWJXFP-LEWJYISDSA-N 1 0 356.416 4.035 10 0 FIAERO CCCc1cccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000187364241 1101803233 /nfs/dbraw/zinc/80/32/33/1101803233.db2.gz VPXQBVOYWHXZSO-QFIPXVFZSA-N 1 0 354.469 4.361 10 0 FIAERO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(Cl)c1 ZINC000116474913 1102555323 /nfs/dbraw/zinc/55/53/23/1102555323.db2.gz PNZPIOVGDZTYLT-YJBOKZPZSA-N 1 0 372.900 4.076 10 0 FIAERO Cc1cccc([C@H]2CCCN2CC[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000140316741 1103032345 /nfs/dbraw/zinc/03/23/45/1103032345.db2.gz BTAAAGSIKOPPPZ-SZPZYZBQSA-N 1 0 350.510 4.067 10 0 FIAERO CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000194513516 1103070751 /nfs/dbraw/zinc/07/07/51/1103070751.db2.gz QIWGZLZLOMUFJH-OAHLLOKOSA-N 1 0 351.494 4.196 10 0 FIAERO C[C@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000194518412 1103071700 /nfs/dbraw/zinc/07/17/00/1103071700.db2.gz OQDNZOWIUFHXSK-NSHDSACASA-N 1 0 364.276 4.378 10 0 FIAERO CCc1onc(C)c1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245644741 1103301722 /nfs/dbraw/zinc/30/17/22/1103301722.db2.gz YUMAHUANZSFDFQ-MAUKXSAKSA-N 1 0 370.497 4.062 10 0 FIAERO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000328775433 1104556775 /nfs/dbraw/zinc/55/67/75/1104556775.db2.gz SJUXMKRQAWGWFD-CRAIPNDOSA-N 1 0 372.513 4.253 10 0 FIAERO O=C(Nc1cccc2c1CCCC2)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000006877174 219778684 /nfs/dbraw/zinc/77/86/84/219778684.db2.gz WYSPAIUEVCCWQJ-UHFFFAOYSA-N 1 0 355.526 4.295 10 0 FIAERO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000334162004 223132704 /nfs/dbraw/zinc/13/27/04/223132704.db2.gz MHQXBXQDXLYZAM-VGOFRKELSA-N 1 0 365.521 4.041 10 0 FIAERO CCOc1ccc(Br)cc1C[NH2+]CCc1ccccc1OC ZINC000013718973 220089559 /nfs/dbraw/zinc/08/95/59/220089559.db2.gz PUOHQAMZQZZNHE-UHFFFAOYSA-N 1 0 364.283 4.189 10 0 FIAERO CCCC[NH+](CCCC)CCCNCc1ccc(OCC)c(OC)c1 ZINC000013733681 220090506 /nfs/dbraw/zinc/09/05/06/220090506.db2.gz KYMZMNAAFXDUGJ-UHFFFAOYSA-N 1 0 350.547 4.476 10 0 FIAERO COc1cc(Cl)cc(C[NH2+]CCCCCO)c1OCc1ccccc1 ZINC000013727312 220090866 /nfs/dbraw/zinc/09/08/66/220090866.db2.gz CUGZENFPDPFEBF-UHFFFAOYSA-N 1 0 363.885 4.180 10 0 FIAERO CC[NH+](CC)CCCNCc1cccc(OC)c1OCc1ccccc1F ZINC000013734180 220091262 /nfs/dbraw/zinc/09/12/62/220091262.db2.gz LBSIMSVMLMMFFZ-UHFFFAOYSA-N 1 0 374.500 4.235 10 0 FIAERO COc1cccc(Nc2nc([C@H]3CCC[NH2+]C3)c3sc(C)c(C)n23)c1 ZINC000019561751 220272977 /nfs/dbraw/zinc/27/29/77/220272977.db2.gz WZRPIGLRFFEJJK-AWEZNQCLSA-N 1 0 356.495 4.232 10 0 FIAERO C[NH2+][C@H](C)c1ccccc1Oc1ccccc1I ZINC000035454477 220784852 /nfs/dbraw/zinc/78/48/52/220784852.db2.gz IGPXIRQHJZIFGX-LLVKDONJSA-N 1 0 353.203 4.364 10 0 FIAERO CC[NH+]1CCC([C@H](C)Nc2ccc(C)c(I)c2)CC1 ZINC000037055723 220833004 /nfs/dbraw/zinc/83/30/04/220833004.db2.gz IVUFRFJLBPQDBG-ZDUSSCGKSA-N 1 0 372.294 4.132 10 0 FIAERO CC[C@@H]([NH3+])[C@@H](Sc1cc(C)nn1C)c1ccc(Br)s1 ZINC000052309169 221038296 /nfs/dbraw/zinc/03/82/96/221038296.db2.gz QSZYVLBZIJMZIX-NOZJJQNGSA-N 1 0 360.346 4.123 10 0 FIAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1c(Cl)cc(Br)cc1Cl ZINC000054627865 221054372 /nfs/dbraw/zinc/05/43/72/221054372.db2.gz USKVTOUSBWSJHP-FGWVZKOKSA-N 1 0 364.114 4.475 10 0 FIAERO CC[NH2+][C@H](C)CC(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000061269375 221133537 /nfs/dbraw/zinc/13/35/37/221133537.db2.gz PJTWYJZORSFMEJ-SSDOTTSWSA-N 1 0 354.075 4.083 10 0 FIAERO CC(C)c1nccc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)n1 ZINC000065385784 221209117 /nfs/dbraw/zinc/20/91/17/221209117.db2.gz HBPAUNFOFUOSPW-LJQANCHMSA-N 1 0 359.477 4.047 10 0 FIAERO [NH3+]C1CCC(Nc2nc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000095077192 221844783 /nfs/dbraw/zinc/84/47/83/221844783.db2.gz RUJDHWVTBIVXMV-UHFFFAOYSA-N 1 0 354.885 4.420 10 0 FIAERO CC1(C)Cc2c(ccn2-c2ccccc2I)[C@@H]([NH3+])C1 ZINC000103988312 222347061 /nfs/dbraw/zinc/34/70/61/222347061.db2.gz SQRUVCXDXMTVTB-ZDUSSCGKSA-N 1 0 366.246 4.054 10 0 FIAERO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000038012583 263399308 /nfs/dbraw/zinc/39/93/08/263399308.db2.gz ATHLREBBOYHLNA-NSHDSACASA-N 1 0 367.674 4.392 10 0 FIAERO CC[NH+](CC)CCn1cc(N[C@H](C)c2ccc(Br)s2)cn1 ZINC000038003496 263399559 /nfs/dbraw/zinc/39/95/59/263399559.db2.gz SAOWEUIISCDVKL-GFCCVEGCSA-N 1 0 371.348 4.222 10 0 FIAERO CCOCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874323 519897213 /nfs/dbraw/zinc/89/72/13/519897213.db2.gz QXYVILJWBDWHPL-UHFFFAOYSA-N 1 0 357.494 4.489 10 0 FIAERO CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1Br ZINC000020476776 521001526 /nfs/dbraw/zinc/00/15/26/521001526.db2.gz XIDKATCTWWOKLR-UHFFFAOYSA-N 1 0 352.247 4.319 10 0 FIAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2nc(C(C)C)cs2)C1 ZINC000020600985 521423916 /nfs/dbraw/zinc/42/39/16/521423916.db2.gz ITYUARFLRFFEKQ-SFHVURJKSA-N 1 0 358.555 4.148 10 0 FIAERO C[N@H+](Cc1ccsc1)Cc1ccccc1-c1nc(C(C)(C)C)cc(=O)[nH]1 ZINC000020600778 523483126 /nfs/dbraw/zinc/48/31/26/523483126.db2.gz MAUVYFTWGCREBN-UHFFFAOYSA-N 1 0 367.518 4.428 10 0 FIAERO Fc1cccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)c1 ZINC000073684766 526381302 /nfs/dbraw/zinc/38/13/02/526381302.db2.gz FUGYJMYPCDTRKO-MRXNPFEDSA-N 1 0 362.452 4.361 10 0 FIAERO Clc1cccc(N2CCN([C@H]3CCC[N@H+](CC4CCCC4)C3)CC2)c1 ZINC000020598307 526980666 /nfs/dbraw/zinc/98/06/66/526980666.db2.gz ICQGCQVOSJJVTL-NRFANRHFSA-N 1 0 361.961 4.117 10 0 FIAERO CSc1ccc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1F ZINC000162524604 568027552 /nfs/dbraw/zinc/02/75/52/568027552.db2.gz DNUPAOQBSSCBTE-KPZWWZAWSA-N 1 0 356.470 4.414 10 0 FIAERO Cc1nnc([C@@H](N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c2ccccc2)[nH]1 ZINC000162555955 568038955 /nfs/dbraw/zinc/03/89/55/568038955.db2.gz CQWSOQXFVIZPBY-BTYIYWSLSA-N 1 0 372.476 4.047 10 0 FIAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000228488493 568080254 /nfs/dbraw/zinc/08/02/54/568080254.db2.gz STEQMCYABPKINX-HYVNUMGLSA-N 1 0 356.279 4.104 10 0 FIAERO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000216093472 568105205 /nfs/dbraw/zinc/10/52/05/568105205.db2.gz BVTKAKUBBDISOM-NHCUHLMSSA-N 1 0 366.505 4.427 10 0 FIAERO Clc1ccccc1COc1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000010313984 570699796 /nfs/dbraw/zinc/69/97/96/570699796.db2.gz DTHBTVSZDIPHKJ-UHFFFAOYSA-N 1 0 355.869 4.295 10 0 FIAERO Cc1cc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)ccc1Br ZINC000675055431 571271234 /nfs/dbraw/zinc/27/12/34/571271234.db2.gz SHNDNEBZTWPRTH-UKRRQHHQSA-N 1 0 369.303 4.075 10 0 FIAERO CN(C(=O)OCc1ccccc1)[C@@](C)(Cc1ccc(O)cc1)[NH+]1CCCC1 ZINC000498043566 571272462 /nfs/dbraw/zinc/27/24/62/571272462.db2.gz WRQYNQUDPNVJHU-JOCHJYFZSA-N 1 0 368.477 4.015 10 0 FIAERO NC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328603564 571323815 /nfs/dbraw/zinc/32/38/15/571323815.db2.gz GOIVKYIEFFYSEN-SFHVURJKSA-N 1 0 360.461 4.135 10 0 FIAERO Clc1ncc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000328606292 571323932 /nfs/dbraw/zinc/32/39/32/571323932.db2.gz QZFBVUHUQUTXFG-AWEZNQCLSA-N 1 0 353.944 4.002 10 0 FIAERO CC(C)c1noc([C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C2CCOCC2)n1 ZINC000328643822 571325926 /nfs/dbraw/zinc/32/59/26/571325926.db2.gz YYTVIQVFGGPTTD-NKELODKYSA-N 1 0 373.472 4.336 10 0 FIAERO Cc1oc(C(C)C)cc1C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000286871392 1081070213 /nfs/dbraw/zinc/07/02/13/1081070213.db2.gz VVNRYVUXSCPVNO-MRXNPFEDSA-N 1 0 355.482 4.182 10 0 FIAERO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000152277762 1084720433 /nfs/dbraw/zinc/72/04/33/1084720433.db2.gz PUYVZEGCGUOWNB-MRXNPFEDSA-N 1 0 350.466 4.091 10 0 FIAERO O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000107245814 1090251497 /nfs/dbraw/zinc/25/14/97/1090251497.db2.gz XTNVOPHUSZBQQJ-SJORKVTESA-N 1 0 367.320 4.184 10 0 FIAERO Cc1cccc([C@@H]2CCCN2CC[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000246570143 1099368196 /nfs/dbraw/zinc/36/81/96/1099368196.db2.gz BTAAAGSIKOPPPZ-VXKWHMMOSA-N 1 0 350.510 4.067 10 0 FIAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248740667 1099409095 /nfs/dbraw/zinc/40/90/95/1099409095.db2.gz QZVGSQWIOINRRO-PWUKJLEFSA-N 1 0 355.507 4.122 10 0 FIAERO O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000173473671 1101369178 /nfs/dbraw/zinc/36/91/78/1101369178.db2.gz OLTSLNMHPSNEEQ-MSOLQXFVSA-N 1 0 367.320 4.184 10 0 FIAERO O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000173473696 1101369503 /nfs/dbraw/zinc/36/95/03/1101369503.db2.gz OLTSLNMHPSNEEQ-QZTJIDSGSA-N 1 0 367.320 4.184 10 0 FIAERO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178053689 1101515509 /nfs/dbraw/zinc/51/55/09/1101515509.db2.gz VLBLGLIAXQYQIT-HNNXBMFYSA-N 1 0 353.495 4.014 10 0 FIAERO Cc1ccc(C)c([C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc2)c1 ZINC000180121809 1101563928 /nfs/dbraw/zinc/56/39/28/1101563928.db2.gz XEKARGTYWUMYAG-QFIPXVFZSA-N 1 0 369.472 4.158 10 0 FIAERO COc1cc([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)ccc1SC ZINC000180397986 1101572493 /nfs/dbraw/zinc/57/24/93/1101572493.db2.gz LWGMZRFBWGUWNF-XJKSGUPXSA-N 1 0 356.491 4.194 10 0 FIAERO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1F ZINC000184514926 1101657782 /nfs/dbraw/zinc/65/77/82/1101657782.db2.gz KPXCUELICCDVLB-RTWAWAEBSA-N 1 0 358.432 4.499 10 0 FIAERO CC(C)Oc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000187255144 1101803399 /nfs/dbraw/zinc/80/33/99/1101803399.db2.gz GDPNBDLOGAWFER-UHFFFAOYSA-N 1 0 365.905 4.219 10 0 FIAERO CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387305 1102571305 /nfs/dbraw/zinc/57/13/05/1102571305.db2.gz VRELJSUJSWLYNE-FQEVSTJZSA-N 1 0 374.488 4.415 10 0 FIAERO c1csc(Cn2cccc2C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000093842006 1102594405 /nfs/dbraw/zinc/59/44/05/1102594405.db2.gz FYZHXWXCSIKDPK-FQEVSTJZSA-N 1 0 374.550 4.148 10 0 FIAERO C[C@@H]1CC([NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H](C)O1 ZINC000127307158 1102725182 /nfs/dbraw/zinc/72/51/82/1102725182.db2.gz PLJMWOWRNTZOJT-PITQQHRWSA-N 1 0 354.897 4.018 10 0 FIAERO Cc1ccccc1C[NH+]1CCC(N[C@@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000194988140 1103078055 /nfs/dbraw/zinc/07/80/55/1103078055.db2.gz VSZBYICLGHYBFT-FQEVSTJZSA-N 1 0 366.534 4.123 10 0 FIAERO Cc1ccccc1C[NH+]1CCC(N[C@H](c2cccs2)c2ncc[nH]2)CC1 ZINC000194988153 1103078183 /nfs/dbraw/zinc/07/81/83/1103078183.db2.gz VSZBYICLGHYBFT-HXUWFJFHSA-N 1 0 366.534 4.123 10 0 FIAERO C[C@@H]1C[C@H](N[C@@H](c2cccs2)c2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000195055123 1103079747 /nfs/dbraw/zinc/07/97/47/1103079747.db2.gz MZXONRPNZXZGBB-POAQFYNOSA-N 1 0 366.534 4.203 10 0 FIAERO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000245579705 1103226695 /nfs/dbraw/zinc/22/66/95/1103226695.db2.gz AVZBLRRSMZCLPD-WDYCEAGBSA-N 1 0 360.523 4.211 10 0 FIAERO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328740457 1104547738 /nfs/dbraw/zinc/54/77/38/1104547738.db2.gz NDUFSLKBBOXSRB-YXMSTPNBSA-N 1 0 361.511 4.121 10 0 FIAERO CC[C@@](COCc1cc(OC)c(OC)c(OC)c1)(c1ccccc1)[NH+](C)C ZINC000004213236 219555327 /nfs/dbraw/zinc/55/53/27/219555327.db2.gz MVKIWCDXKCUDEH-JOCHJYFZSA-N 1 0 373.493 4.096 10 0 in-man FIAERO COc1cc2c(cc1O)C(=O)[C@@H](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000013449412 220068475 /nfs/dbraw/zinc/06/84/75/220068475.db2.gz DJRBBQJREIMIEU-IBGZPJMESA-N 1 0 365.473 4.058 10 0 endogenous,world FIAERO C[NH+]1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3cc(F)ccc32)CC1 ZINC000019802229 220298743 /nfs/dbraw/zinc/29/87/43/220298743.db2.gz GLHFLADPKLAAEW-QGZVFWFLSA-N 1 0 362.901 4.475 10 0 FIAERO COC[C@H](C)[NH2+][C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000021820002 220367217 /nfs/dbraw/zinc/36/72/17/220367217.db2.gz RVPLOALLZSDVHN-SUMWQHHRSA-N 1 0 366.383 4.010 10 0 FIAERO Cc1ccccc1[C@@H](Oc1cccc(I)c1)[C@H](C)[NH3+] ZINC000043040106 220944979 /nfs/dbraw/zinc/94/49/79/220944979.db2.gz DBOFBZSUKSGXRH-LRDDRELGSA-N 1 0 367.230 4.067 10 0 FIAERO C[N@H+](Cc1ccco1)Cc1cccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)c1 ZINC000048308303 221006598 /nfs/dbraw/zinc/00/65/98/221006598.db2.gz DFKMASQGOJLFPX-UHFFFAOYSA-N 1 0 372.428 4.136 10 0 FIAERO CN(Cc1cc(Br)cs1)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905633 221040635 /nfs/dbraw/zinc/04/06/35/221040635.db2.gz JWWPSXLZCBRSMS-UHFFFAOYSA-N 1 0 358.692 4.084 10 0 FIAERO CCCc1cc(N2CCC([NH3+])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073663215 132376725 /nfs/dbraw/zinc/37/67/25/132376725.db2.gz VXBBJALDGUQNPO-UHFFFAOYSA-N 1 0 364.415 4.042 10 0 FIAERO Cc1ccc(-c2nc(-c3ccccc3)cc(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000073684510 132377081 /nfs/dbraw/zinc/37/70/81/132377081.db2.gz WXJZADNCRASSOP-UHFFFAOYSA-N 1 0 358.489 4.294 10 0 FIAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000038012582 263399432 /nfs/dbraw/zinc/39/94/32/263399432.db2.gz UPZXSPKDDJTLIV-LLVKDONJSA-N 1 0 367.674 4.392 10 0 FIAERO Cc1ccc2oc(N3CCN(Cc4ncc(-c5ccccc5)o4)CC3)nc2c1 ZINC000106095674 568108251 /nfs/dbraw/zinc/10/82/51/568108251.db2.gz WAPSCOZHQKUSBS-UHFFFAOYSA-N 1 0 374.444 4.113 10 0 FIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000022935857 570953807 /nfs/dbraw/zinc/95/38/07/570953807.db2.gz WDUBWKXFTWYXBN-OAQYLSRUSA-N 1 0 368.521 4.157 10 0 FIAERO CN(C)CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428328 571026449 /nfs/dbraw/zinc/02/64/49/571026449.db2.gz IGGFXXAIWQLBFD-UHFFFAOYSA-N 1 0 353.293 4.224 10 0 FIAERO Cc1cc([C@@H]2C[C@@H]([NH3+])CCN2C(=O)OC(C)(C)C)ccc1Br ZINC000675052545 571121092 /nfs/dbraw/zinc/12/10/92/571121092.db2.gz AXQXNLBCDVHLSX-ZFWWWQNUSA-N 1 0 369.303 4.157 10 0 FIAERO CC[NH2+]Cc1cc(Br)cc(Br)c1OC(C)C ZINC000040729986 571236781 /nfs/dbraw/zinc/23/67/81/571236781.db2.gz MHVIPTAUXQGEGM-UHFFFAOYSA-N 1 0 351.082 4.108 10 0 FIAERO CCOC(=O)[C@@H]1CCC[N@H+](CC2c3ccccc3CCc3ccccc32)C1 ZINC000048545054 571308789 /nfs/dbraw/zinc/30/87/89/571308789.db2.gz ULSGITODFCMBKQ-HXUWFJFHSA-N 1 0 363.501 4.192 10 0 FIAERO