smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(Cc1cc(F)cc2cccnc21)C1CC[NH2+]CC1 ZINC000261705669 283292739 /nfs/dbraw/zinc/29/27/39/283292739.db2.gz OSXLOIINRGKBCU-UHFFFAOYSA-N 1 3 301.409 3.338 10 0 DGAEHO CCC[N@H+](Cc1cc(F)cc2cccnc21)C1CCNCC1 ZINC000261705669 283292741 /nfs/dbraw/zinc/29/27/41/283292741.db2.gz OSXLOIINRGKBCU-UHFFFAOYSA-N 1 3 301.409 3.338 10 0 DGAEHO CCC[N@@H+](Cc1cc(F)cc2cccnc21)C1CCNCC1 ZINC000261705669 283292743 /nfs/dbraw/zinc/29/27/43/283292743.db2.gz OSXLOIINRGKBCU-UHFFFAOYSA-N 1 3 301.409 3.338 10 0 DGAEHO C[C@H]1C[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000179454944 199038518 /nfs/dbraw/zinc/03/85/18/199038518.db2.gz NOVYGLISCXYFGQ-BBRMVZONSA-N 1 3 317.408 3.096 10 0 DGAEHO C[C@H]1C[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000179454944 199038520 /nfs/dbraw/zinc/03/85/20/199038520.db2.gz NOVYGLISCXYFGQ-BBRMVZONSA-N 1 3 317.408 3.096 10 0 DGAEHO c1ccc([C@@H]2CCCC[C@H](NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000415046203 237030029 /nfs/dbraw/zinc/03/00/29/237030029.db2.gz UNDSGBMGDRZTLX-QYZOEREBSA-N 1 3 302.462 3.071 10 0 DGAEHO Cc1cc(Br)c(CNCCCC[NH+](C)C)s1 ZINC000453595157 241831821 /nfs/dbraw/zinc/83/18/21/241831821.db2.gz VHUIBQBZILSZBD-UHFFFAOYSA-N 1 3 305.285 3.250 10 0 DGAEHO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(N(C)C)CC1 ZINC000127831444 284353287 /nfs/dbraw/zinc/35/32/87/284353287.db2.gz WLWPSYLTYVJGBG-UHFFFAOYSA-N 1 3 317.477 3.048 10 0 DGAEHO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000249129891 285058551 /nfs/dbraw/zinc/05/85/51/285058551.db2.gz USPIEEITWOSUPT-KVSKMBFKSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@@H](O)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249129891 285058554 /nfs/dbraw/zinc/05/85/54/285058554.db2.gz USPIEEITWOSUPT-KVSKMBFKSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@@H](O)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000249129891 285058558 /nfs/dbraw/zinc/05/85/58/285058558.db2.gz USPIEEITWOSUPT-KVSKMBFKSA-N 1 3 308.510 3.170 10 0 DGAEHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000119620679 431712373 /nfs/dbraw/zinc/71/23/73/431712373.db2.gz SKHFOIHCNXAWPE-IPMKNSEASA-N 1 3 309.542 3.064 10 0 DGAEHO CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(Br)cc1 ZINC000261589537 432432810 /nfs/dbraw/zinc/43/28/10/432432810.db2.gz WIOGTRGYIVJQIO-CQDKDKBSSA-N 1 3 311.267 3.488 10 0 DGAEHO Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2cnn(C)c2)c1 ZINC000261796144 432450358 /nfs/dbraw/zinc/45/03/58/432450358.db2.gz GPVDPIDOPTZZQR-DFNIBXOVSA-N 1 3 324.472 3.110 10 0 DGAEHO CCCN(C[C@]1(C)CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000262044480 432471258 /nfs/dbraw/zinc/47/12/58/432471258.db2.gz PNDNQEJFBCUYAO-VQIMIIECSA-N 1 3 317.477 3.115 10 0 DGAEHO Cc1nccn1C[C@H](C)C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000175991305 432484137 /nfs/dbraw/zinc/48/41/37/432484137.db2.gz LBCXYPZLBWJWNQ-CQSZACIVSA-N 1 3 309.417 3.008 10 0 DGAEHO CC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000162900958 432837633 /nfs/dbraw/zinc/83/76/33/432837633.db2.gz HHXRNAVNFOKGPY-IBGZPJMESA-N 1 3 312.461 3.257 10 0 DGAEHO c1ccc([C@H]([NH2+]CCCN2CCCCC2)[C@@H]2CCOC2)cc1 ZINC000372898486 433057080 /nfs/dbraw/zinc/05/70/80/433057080.db2.gz VISSPGISNXVKOE-MOPGFXCFSA-N 1 3 302.462 3.230 10 0 DGAEHO c1ccc([C@H](NCCC[NH+]2CCCCC2)[C@@H]2CCOC2)cc1 ZINC000372898486 433057092 /nfs/dbraw/zinc/05/70/92/433057092.db2.gz VISSPGISNXVKOE-MOPGFXCFSA-N 1 3 302.462 3.230 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000423120848 434231591 /nfs/dbraw/zinc/23/15/91/434231591.db2.gz HOIGKFUJGRUTOD-WAPOTWQKSA-N 1 3 314.473 3.417 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000423120844 434232809 /nfs/dbraw/zinc/23/28/09/434232809.db2.gz HOIGKFUJGRUTOD-LCWAXJCOSA-N 1 3 314.473 3.417 10 0 DGAEHO Brc1ccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423207045 434285803 /nfs/dbraw/zinc/28/58/03/434285803.db2.gz GKXBAEHIXXEQKJ-WBMJQRKESA-N 1 3 323.278 3.489 10 0 DGAEHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)[C@H]1CC12CCSCC2 ZINC000423546890 434484849 /nfs/dbraw/zinc/48/48/49/434484849.db2.gz KUJBWKCKDUMGOX-YYIAUSFCSA-N 1 3 308.535 3.420 10 0 DGAEHO c1ccc(OCCCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000526123412 295059776 /nfs/dbraw/zinc/05/97/76/295059776.db2.gz DTBGPQUMMCDDRN-SFHVURJKSA-N 1 3 302.462 3.263 10 0 DGAEHO c1ccc(OCCCC[N@@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000526123412 295059780 /nfs/dbraw/zinc/05/97/80/295059780.db2.gz DTBGPQUMMCDDRN-SFHVURJKSA-N 1 3 302.462 3.263 10 0 DGAEHO c1ccc(OCCCC[N@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000526123412 295059783 /nfs/dbraw/zinc/05/97/83/295059783.db2.gz DTBGPQUMMCDDRN-SFHVURJKSA-N 1 3 302.462 3.263 10 0 DGAEHO CCN(CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360928773 434734357 /nfs/dbraw/zinc/73/43/57/434734357.db2.gz CBPVZUCBRQMHGT-AZUAARDMSA-N 1 3 317.521 3.217 10 0 DGAEHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCOCC2(CC2)C1 ZINC000411502662 434790708 /nfs/dbraw/zinc/79/07/08/434790708.db2.gz JHBKSDUIJCMNHM-UHFFFAOYSA-N 1 3 314.473 3.285 10 0 DGAEHO c1cc2c(cc1CN1CCC(OC3CCCC3)CC1)C[NH2+]CC2 ZINC000516975536 435567272 /nfs/dbraw/zinc/56/72/72/435567272.db2.gz VNWCMJYFQWLFDQ-UHFFFAOYSA-N 1 3 314.473 3.256 10 0 DGAEHO CCOC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623075 661225098 /nfs/dbraw/zinc/22/50/98/661225098.db2.gz XKKXVSOUAXARSA-OTWHNJEPSA-N 1 3 316.489 3.444 10 0 DGAEHO CCC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619107 661225221 /nfs/dbraw/zinc/22/52/21/661225221.db2.gz BLCUQUJOKAMRNE-HAGHYFMRSA-N 1 3 316.489 3.180 10 0 DGAEHO CC(C)OCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716673809 661226518 /nfs/dbraw/zinc/22/65/18/661226518.db2.gz QIFQOSPMJXDFLU-OTWHNJEPSA-N 1 3 302.462 3.054 10 0 DGAEHO CC(C)OCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716673809 661226519 /nfs/dbraw/zinc/22/65/19/661226519.db2.gz QIFQOSPMJXDFLU-OTWHNJEPSA-N 1 3 302.462 3.054 10 0 DGAEHO CC(C)OCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716673809 661226522 /nfs/dbraw/zinc/22/65/22/661226522.db2.gz QIFQOSPMJXDFLU-OTWHNJEPSA-N 1 3 302.462 3.054 10 0 DGAEHO COC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716681421 661227497 /nfs/dbraw/zinc/22/74/97/661227497.db2.gz WWJLWSLKQWKDTC-FRYIKTPZSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)[C@@H](C)O1 ZINC000716688850 661227775 /nfs/dbraw/zinc/22/77/75/661227775.db2.gz BXTUFQLLWBQDIS-VTPPTGSRSA-N 1 3 314.473 3.195 10 0 DGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000353521759 659995615 /nfs/dbraw/zinc/99/56/15/659995615.db2.gz SLCLPJRTEHGBNW-MNEFBYGVSA-N 1 3 324.472 3.287 10 0 DGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000353521759 659995618 /nfs/dbraw/zinc/99/56/18/659995618.db2.gz SLCLPJRTEHGBNW-MNEFBYGVSA-N 1 3 324.472 3.287 10 0 DGAEHO CCN(CC)CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000191519403 662070396 /nfs/dbraw/zinc/07/03/96/662070396.db2.gz KKHFECIJHMYULH-OALUTQOASA-N 1 3 304.478 3.306 10 0 DGAEHO CCN(CC)CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000191519403 662070399 /nfs/dbraw/zinc/07/03/99/662070399.db2.gz KKHFECIJHMYULH-OALUTQOASA-N 1 3 304.478 3.306 10 0 DGAEHO c1[nH]nc2c1cccc2CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000083998807 1176342589 /nfs/dbraw/zinc/34/25/89/1176342589.db2.gz XSVJCSSIDPKMGC-UHFFFAOYSA-N 1 3 320.440 3.449 10 0 DGAEHO C[C@H](CC[NH2+]Cc1cnn2ccccc12)N(C)Cc1ccccc1 ZINC000080234665 1197050366 /nfs/dbraw/zinc/05/03/66/1197050366.db2.gz IRDAGIOIHASBCD-QGZVFWFLSA-N 1 3 322.456 3.335 10 0 DGAEHO c1[nH]nc2cc(CNCCC[N@@H+]3CCc4ccccc4C3)ccc12 ZINC000236723109 1202622248 /nfs/dbraw/zinc/62/22/48/1202622248.db2.gz IPODDTOCBBKAHJ-UHFFFAOYSA-N 1 3 320.440 3.101 10 0 DGAEHO c1[nH]nc2cc(CNCCC[N@H+]3CCc4ccccc4C3)ccc12 ZINC000236723109 1202622249 /nfs/dbraw/zinc/62/22/49/1202622249.db2.gz IPODDTOCBBKAHJ-UHFFFAOYSA-N 1 3 320.440 3.101 10 0 DGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638955 284013869 /nfs/dbraw/zinc/01/38/69/284013869.db2.gz RWNVLTVTBLEVBF-SJLPKXTDSA-N 1 3 304.478 3.474 10 0 DGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638955 284013872 /nfs/dbraw/zinc/01/38/72/284013872.db2.gz RWNVLTVTBLEVBF-SJLPKXTDSA-N 1 3 304.478 3.474 10 0 DGAEHO c1ccc(COC2CC(NCCC[NH+]3CCCCC3)C2)cc1 ZINC000493889634 246093868 /nfs/dbraw/zinc/09/38/68/246093868.db2.gz WZWOIXGOCSVGMD-UHFFFAOYSA-N 1 3 302.462 3.200 10 0 DGAEHO CC1(C)[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181626197 432139865 /nfs/dbraw/zinc/13/98/65/432139865.db2.gz DALZMFZPYFBLNA-QRVBRYPASA-N 1 3 320.521 3.434 10 0 DGAEHO CC1(C)[C@H](NC2CC[NH+](CC3CCCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181626197 432139869 /nfs/dbraw/zinc/13/98/69/432139869.db2.gz DALZMFZPYFBLNA-QRVBRYPASA-N 1 3 320.521 3.434 10 0 DGAEHO CC1(C)[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000248657314 285015112 /nfs/dbraw/zinc/01/51/12/285015112.db2.gz XFOGXVGGXVRGBT-CEXWTWQISA-N 1 3 316.489 3.005 10 0 DGAEHO c1ccc2c(c1)CO[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000629511755 400951061 /nfs/dbraw/zinc/95/10/61/400951061.db2.gz AIVBAVGOAOLUBO-VNTMZGSJSA-N 1 3 314.473 3.028 10 0 DGAEHO c1cc(CNCCCCC[NH+]2CCCC2)n(CC2CCC2)n1 ZINC000631142975 401406965 /nfs/dbraw/zinc/40/69/65/401406965.db2.gz BPIMDXDUWSTODN-UHFFFAOYSA-N 1 3 304.482 3.039 10 0 DGAEHO CCC[NH+]1CCC(CNCc2nccn2-c2ccccc2)CC1 ZINC000190955055 165222197 /nfs/dbraw/zinc/22/21/97/165222197.db2.gz LIDDTYUZGAAKQJ-UHFFFAOYSA-N 1 3 312.461 3.084 10 0 DGAEHO Cc1cc(-n2ccnc2)ccc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000192056058 165281430 /nfs/dbraw/zinc/28/14/30/165281430.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 1 3 312.461 3.095 10 0 DGAEHO Cc1cc(-n2ccnc2)ccc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000192056058 165281433 /nfs/dbraw/zinc/28/14/33/165281433.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 1 3 312.461 3.095 10 0 DGAEHO CC(C)N(C)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cn1 ZINC000191222064 432236261 /nfs/dbraw/zinc/23/62/61/432236261.db2.gz PYNQCZBBUIARQC-AYHJJNSGSA-N 1 3 316.493 3.031 10 0 DGAEHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000093147518 431913298 /nfs/dbraw/zinc/91/32/98/431913298.db2.gz PURKIRZPGNDJKI-LJQANCHMSA-N 1 3 321.553 3.305 10 0 DGAEHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000093147518 431913300 /nfs/dbraw/zinc/91/33/00/431913300.db2.gz PURKIRZPGNDJKI-LJQANCHMSA-N 1 3 321.553 3.305 10 0 DGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NCC2=CCCOC2)C3)cc1 ZINC000127201769 431967114 /nfs/dbraw/zinc/96/71/14/431967114.db2.gz KDQWDTXQQWCJQT-IHWFROFDSA-N 1 3 312.457 3.118 10 0 DGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NCC2=CCCOC2)C3)cc1 ZINC000127201769 431967117 /nfs/dbraw/zinc/96/71/17/431967117.db2.gz KDQWDTXQQWCJQT-IHWFROFDSA-N 1 3 312.457 3.118 10 0 DGAEHO Cc1cc(-n2ccnc2)ccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248828495 432321576 /nfs/dbraw/zinc/32/15/76/432321576.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 1 3 312.461 3.095 10 0 DGAEHO Cc1cc(-n2ccnc2)ccc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248828495 432321579 /nfs/dbraw/zinc/32/15/79/432321579.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 1 3 312.461 3.095 10 0 DGAEHO Cc1nccn1C[C@@H](C)C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000175991286 432483410 /nfs/dbraw/zinc/48/34/10/432483410.db2.gz LBCXYPZLBWJWNQ-AWEZNQCLSA-N 1 3 309.417 3.008 10 0 DGAEHO COC[C@H](C)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000187840523 432688670 /nfs/dbraw/zinc/68/86/70/432688670.db2.gz MNPLSOCTUCJYJX-OAHLLOKOSA-N 1 3 324.896 3.424 10 0 DGAEHO c1cc(C[NH+]2CCCCC2)ccc1CN1CC[C@]12CCOC2 ZINC000421026821 433395672 /nfs/dbraw/zinc/39/56/72/433395672.db2.gz UABBWBLFOYRHLI-LJQANCHMSA-N 1 3 300.446 3.037 10 0 DGAEHO Cc1cc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000376058393 433656739 /nfs/dbraw/zinc/65/67/39/433656739.db2.gz PPZNUXSRBJYHRB-BEFAXECRSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000376058393 433656746 /nfs/dbraw/zinc/65/67/46/433656746.db2.gz PPZNUXSRBJYHRB-BEFAXECRSA-N 1 3 313.445 3.026 10 0 DGAEHO C[C@@H](NCCc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000400433799 293864216 /nfs/dbraw/zinc/86/42/16/293864216.db2.gz CNLLVFHQGQPFRW-YLJYHZDGSA-N 1 3 324.468 3.396 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CS1 ZINC000309772486 434099029 /nfs/dbraw/zinc/09/90/29/434099029.db2.gz HXTAFPXZNZGROP-QFACEVIFSA-N 1 3 316.514 3.381 10 0 DGAEHO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000310020185 434106952 /nfs/dbraw/zinc/10/69/52/434106952.db2.gz RCGMBUOICCCLGN-RBUKOAKNSA-N 1 3 318.505 3.285 10 0 DGAEHO CC(C)(C)[C@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310020185 434106961 /nfs/dbraw/zinc/10/69/61/434106961.db2.gz RCGMBUOICCCLGN-RBUKOAKNSA-N 1 3 318.505 3.285 10 0 DGAEHO CC(C)(C)[C@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310020185 434106969 /nfs/dbraw/zinc/10/69/69/434106969.db2.gz RCGMBUOICCCLGN-RBUKOAKNSA-N 1 3 318.505 3.285 10 0 DGAEHO COC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(C)C ZINC000381766182 434275785 /nfs/dbraw/zinc/27/57/85/434275785.db2.gz NVIYPYAGKDHRCS-NMLBUPMWSA-N 1 3 316.489 3.158 10 0 DGAEHO CCC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)OC ZINC000386509012 434312698 /nfs/dbraw/zinc/31/26/98/434312698.db2.gz WWVJKZVIXQRHEP-UAFMIMERSA-N 1 3 316.489 3.302 10 0 DGAEHO CCC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000386509012 434312709 /nfs/dbraw/zinc/31/27/09/434312709.db2.gz WWVJKZVIXQRHEP-UAFMIMERSA-N 1 3 316.489 3.302 10 0 DGAEHO CCC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000386509012 434312722 /nfs/dbraw/zinc/31/27/22/434312722.db2.gz WWVJKZVIXQRHEP-UAFMIMERSA-N 1 3 316.489 3.302 10 0 DGAEHO C(C[NH2+]C1CCCCCC1)N[C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423274126 434330568 /nfs/dbraw/zinc/33/05/68/434330568.db2.gz JYSAGENPYNTVQE-YTQUADARSA-N 1 3 308.510 3.484 10 0 DGAEHO C[C@@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000390690435 434365521 /nfs/dbraw/zinc/36/55/21/434365521.db2.gz PJHHWVHGDFEGAB-PANBIXPWSA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000390690435 434365528 /nfs/dbraw/zinc/36/55/28/434365528.db2.gz PJHHWVHGDFEGAB-PANBIXPWSA-N 1 3 314.473 3.339 10 0 DGAEHO C[NH+]1CCC(C)(CNCc2ccsc2Br)CC1 ZINC000388844318 434341955 /nfs/dbraw/zinc/34/19/55/434341955.db2.gz XVKHCMPKIZSXEE-UHFFFAOYSA-N 1 3 317.296 3.332 10 0 DGAEHO CCN1CCC([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000397875416 434447680 /nfs/dbraw/zinc/44/76/80/434447680.db2.gz AAOSIIFZQUWKQW-FQEVSTJZSA-N 1 3 315.505 3.115 10 0 DGAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000397558013 434441019 /nfs/dbraw/zinc/44/10/19/434441019.db2.gz QEYSHHDOLZWVLC-NEWSRXKRSA-N 1 3 316.489 3.038 10 0 DGAEHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CC12CCSCC2 ZINC000423546888 434486259 /nfs/dbraw/zinc/48/62/59/434486259.db2.gz KUJBWKCKDUMGOX-NXOAAHMSSA-N 1 3 308.535 3.420 10 0 DGAEHO COc1ccc([C@H](C)CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245948733 295234691 /nfs/dbraw/zinc/23/46/91/295234691.db2.gz WMFWGWAIPMDFSD-SJORKVTESA-N 1 3 302.462 3.216 10 0 DGAEHO COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000245948733 295234694 /nfs/dbraw/zinc/23/46/94/295234694.db2.gz WMFWGWAIPMDFSD-SJORKVTESA-N 1 3 302.462 3.216 10 0 DGAEHO COc1ccc([C@H](C)C[N@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000245948733 295234697 /nfs/dbraw/zinc/23/46/97/295234697.db2.gz WMFWGWAIPMDFSD-SJORKVTESA-N 1 3 302.462 3.216 10 0 DGAEHO c1c2c(cc3c1OCCC[C@H]3NCC1=CC[NH2+]CC1)CCCC2 ZINC000423344065 304850524 /nfs/dbraw/zinc/85/05/24/304850524.db2.gz MOVDFBMTXVEBSD-LJQANCHMSA-N 1 3 312.457 3.288 10 0 DGAEHO c1ccc([C@@H](NCc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCOC2)cc1 ZINC000563269331 315097036 /nfs/dbraw/zinc/09/70/36/315097036.db2.gz NAWNYVZGXUQXLS-TZIWHRDSSA-N 1 3 322.452 3.200 10 0 DGAEHO CCCN1CC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493916435 534955707 /nfs/dbraw/zinc/95/57/07/534955707.db2.gz JTWFIYOABQTLQM-LMDPOFIKSA-N 1 3 302.462 3.056 10 0 DGAEHO CCC[N@@H+]1CC[C@H](CNC2CC(OCc3ccccc3)C2)C1 ZINC000493916435 534955716 /nfs/dbraw/zinc/95/57/16/534955716.db2.gz JTWFIYOABQTLQM-LMDPOFIKSA-N 1 3 302.462 3.056 10 0 DGAEHO CCC[N@H+]1CC[C@H](CNC2CC(OCc3ccccc3)C2)C1 ZINC000493916435 534955719 /nfs/dbraw/zinc/95/57/19/534955719.db2.gz JTWFIYOABQTLQM-LMDPOFIKSA-N 1 3 302.462 3.056 10 0 DGAEHO CN1CCCN(CCC[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000127075723 545927345 /nfs/dbraw/zinc/92/73/45/545927345.db2.gz NQTYRYPSEKYELO-UHFFFAOYSA-N 1 3 323.550 3.163 10 0 DGAEHO C[C@]1(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068677 655768876 /nfs/dbraw/zinc/76/88/76/655768876.db2.gz RVDLTCVMNDIZHN-JZXOWHBKSA-N 1 3 322.518 3.416 10 0 DGAEHO CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619033 661224866 /nfs/dbraw/zinc/22/48/66/661224866.db2.gz AOWOVLOYMVETKX-ZGXWSNOMSA-N 1 3 316.489 3.036 10 0 DGAEHO C[C@@H](CO)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623040 661225282 /nfs/dbraw/zinc/22/52/82/661225282.db2.gz XEHWDJXCGABGQY-MDNKFWRPSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@]1(CN2CCCCC[C@H]2C[C@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068675 657305906 /nfs/dbraw/zinc/30/59/06/657305906.db2.gz RVDLTCVMNDIZHN-BQFCYCMXSA-N 1 3 322.518 3.416 10 0 DGAEHO Cc1ccc(CNC2CC[NH+](C)CC2)c(C)c1Br ZINC000719561026 662292636 /nfs/dbraw/zinc/29/26/36/662292636.db2.gz FSCZPYCEUBHOCG-UHFFFAOYSA-N 1 3 311.267 3.250 10 0 DGAEHO COC(C)(C)[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000720148536 662302785 /nfs/dbraw/zinc/30/27/85/662302785.db2.gz KXDJYOMFZCXSQV-BVBHFADKSA-N 1 3 316.489 3.443 10 0 DGAEHO CCN1CCC([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000379638569 685149316 /nfs/dbraw/zinc/14/93/16/685149316.db2.gz ACEVPQWQWMHUKS-FQEVSTJZSA-N 1 3 315.505 3.115 10 0 DGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCSC4)[C@@H]3C2)cc1 ZINC000278745179 214370896 /nfs/dbraw/zinc/37/08/96/214370896.db2.gz MTDWWWCRMSPKJA-OKYOBFRVSA-N 1 3 316.514 3.240 10 0 DGAEHO c1sc(CNCC[C@@H]2CCC[NH2+]C2)nc1-c1ccccc1 ZINC000414854649 236912419 /nfs/dbraw/zinc/91/24/19/236912419.db2.gz UOAAYMYVJXJNHV-AWEZNQCLSA-N 1 3 301.459 3.289 10 0 DGAEHO CC[NH+]1CCC(CCNCc2ccnn2C2CCCC2)CC1 ZINC000449169882 240050542 /nfs/dbraw/zinc/05/05/42/240050542.db2.gz PVRCQWJDUMJWBC-UHFFFAOYSA-N 1 3 304.482 3.210 10 0 DGAEHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000193139246 287219299 /nfs/dbraw/zinc/21/92/99/287219299.db2.gz DJJQWAJQWXXPDE-QZTJIDSGSA-N 1 3 321.553 3.351 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CCN1C ZINC000246935535 432183525 /nfs/dbraw/zinc/18/35/25/432183525.db2.gz HHNWLPMQHRKSDS-MISYRCLQSA-N 1 3 315.505 3.113 10 0 DGAEHO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)c1 ZINC000247129025 432205345 /nfs/dbraw/zinc/20/53/45/432205345.db2.gz NLKCIBOTSLRUMP-QAPCUYQASA-N 1 3 318.461 3.325 10 0 DGAEHO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC[C@H]2CCCN2C)c1 ZINC000247129025 432205347 /nfs/dbraw/zinc/20/53/47/432205347.db2.gz NLKCIBOTSLRUMP-QAPCUYQASA-N 1 3 318.461 3.325 10 0 DGAEHO C[C@@H](CC[NH2+][C@@H]1CCCc2n[nH]cc21)N(C)Cc1ccccc1 ZINC000367601923 271048582 /nfs/dbraw/zinc/04/85/82/271048582.db2.gz QKJQMCHTWPWHCC-MAUKXSAKSA-N 1 3 312.461 3.287 10 0 DGAEHO CC[C@@H]1CCC[C@H](CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000183052921 432253649 /nfs/dbraw/zinc/25/36/49/432253649.db2.gz NQNMQRKODDXUOH-AABGKKOBSA-N 1 3 321.553 3.305 10 0 DGAEHO CC[C@@H]1CCC[C@H](CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000183052921 432253652 /nfs/dbraw/zinc/25/36/52/432253652.db2.gz NQNMQRKODDXUOH-AABGKKOBSA-N 1 3 321.553 3.305 10 0 DGAEHO c1cnn(-c2ccc(CN3CCC(C[NH+]4CCCC4)CC3)cc2)c1 ZINC000047969178 431917564 /nfs/dbraw/zinc/91/75/64/431917564.db2.gz XLZXPMDIWAQLCU-UHFFFAOYSA-N 1 3 324.472 3.180 10 0 DGAEHO CC[C@@H]1CCC[C@H](CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000248490863 432295962 /nfs/dbraw/zinc/29/59/62/432295962.db2.gz NQNMQRKODDXUOH-HSALFYBXSA-N 1 3 321.553 3.305 10 0 DGAEHO CC[C@@H]1CCC[C@H](CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000248490863 432295968 /nfs/dbraw/zinc/29/59/68/432295968.db2.gz NQNMQRKODDXUOH-HSALFYBXSA-N 1 3 321.553 3.305 10 0 DGAEHO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000248963725 432330419 /nfs/dbraw/zinc/33/04/19/432330419.db2.gz BMNHCRNGTATUNU-IEZWGBDMSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@@H](O)CC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248963725 432330423 /nfs/dbraw/zinc/33/04/23/432330423.db2.gz BMNHCRNGTATUNU-IEZWGBDMSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@@H](O)CC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248963725 432330428 /nfs/dbraw/zinc/33/04/28/432330428.db2.gz BMNHCRNGTATUNU-IEZWGBDMSA-N 1 3 308.510 3.170 10 0 DGAEHO CC1(C)[C@H](NC[C@H](O)C[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000184554510 432405239 /nfs/dbraw/zinc/40/52/39/432405239.db2.gz XFOGXVGGXVRGBT-IPMKNSEASA-N 1 3 316.489 3.005 10 0 DGAEHO COc1ccc(CCC2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261713058 432444220 /nfs/dbraw/zinc/44/42/20/432444220.db2.gz DZCUMUULAVZJGG-FQEVSTJZSA-N 1 3 316.489 3.339 10 0 DGAEHO COc1cccc([C@H](C)[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)c1 ZINC000261773838 432449486 /nfs/dbraw/zinc/44/94/86/432449486.db2.gz OZDGNMHFLUJPJV-CVAIRZPRSA-N 1 3 310.441 3.431 10 0 DGAEHO COc1cccc([C@H](C)[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)c1 ZINC000261773838 432449490 /nfs/dbraw/zinc/44/94/90/432449490.db2.gz OZDGNMHFLUJPJV-CVAIRZPRSA-N 1 3 310.441 3.431 10 0 DGAEHO COc1cccc([C@H](C)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261773838 432449494 /nfs/dbraw/zinc/44/94/94/432449494.db2.gz OZDGNMHFLUJPJV-CVAIRZPRSA-N 1 3 310.441 3.431 10 0 DGAEHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000234740636 432740992 /nfs/dbraw/zinc/74/09/92/432740992.db2.gz DKSLSHHDYBUZGZ-CMPLNLGQSA-N 1 3 305.249 3.398 10 0 DGAEHO CN1CCC[C@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000162026876 432809488 /nfs/dbraw/zinc/80/94/88/432809488.db2.gz HWJHLTYOOKSWLK-INIZCTEOSA-N 1 3 305.441 3.186 10 0 DGAEHO CCOC1CC(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000367205886 293037905 /nfs/dbraw/zinc/03/79/05/293037905.db2.gz LXXSDJRCRUMEMJ-VIQWUECVSA-N 1 3 308.510 3.390 10 0 DGAEHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309750629 434098844 /nfs/dbraw/zinc/09/88/44/434098844.db2.gz ZFBYRHJFBYQJAV-FTWQHDNSSA-N 1 3 316.514 3.238 10 0 DGAEHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510671365 294389523 /nfs/dbraw/zinc/38/95/23/294389523.db2.gz ZOADVOHHTMXPHH-VQTJNVASSA-N 1 3 316.489 3.338 10 0 DGAEHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379653432 434257169 /nfs/dbraw/zinc/25/71/69/434257169.db2.gz ZPQVNEMKINFZRY-SLFFLAALSA-N 1 3 315.505 3.148 10 0 DGAEHO c1cncc(C[NH2+]CCCN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000423187143 434273642 /nfs/dbraw/zinc/27/36/42/434273642.db2.gz LYCNGBFMTYXFOR-LJQANCHMSA-N 1 3 310.445 3.087 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000423120842 434233068 /nfs/dbraw/zinc/23/30/68/434233068.db2.gz HOIGKFUJGRUTOD-IVDHNXQLSA-N 1 3 314.473 3.417 10 0 DGAEHO CC(C)C[C@@H](C)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397665231 434440536 /nfs/dbraw/zinc/44/05/36/434440536.db2.gz FQEKWALPCKZYPX-GOSISDBHSA-N 1 3 318.505 3.285 10 0 DGAEHO C[C@@H](CC(C)(C)C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397599464 434441497 /nfs/dbraw/zinc/44/14/97/434441497.db2.gz SFWQCAJOLWLHKN-KRWDZBQOSA-N 1 3 318.505 3.428 10 0 DGAEHO C[C@@H](NCCc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000521423780 434883969 /nfs/dbraw/zinc/88/39/69/434883969.db2.gz RALVWIFXABOGOO-GHMZBOCLSA-N 1 3 317.296 3.031 10 0 DGAEHO C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCCNC1 ZINC000521423780 434883974 /nfs/dbraw/zinc/88/39/74/434883974.db2.gz RALVWIFXABOGOO-GHMZBOCLSA-N 1 3 317.296 3.031 10 0 DGAEHO CCOc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134179488 312685505 /nfs/dbraw/zinc/68/55/05/312685505.db2.gz FXPJKKSZPDHSHK-UHFFFAOYSA-N 1 3 302.462 3.393 10 0 DGAEHO C[C@@H](NCCOC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381305399 546738889 /nfs/dbraw/zinc/73/88/89/546738889.db2.gz JSFJQWXHQWNWNY-AEFFLSMTSA-N 1 3 304.478 3.302 10 0 DGAEHO C[C@@H](NCCOC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381305399 546738894 /nfs/dbraw/zinc/73/88/94/546738894.db2.gz JSFJQWXHQWNWNY-AEFFLSMTSA-N 1 3 304.478 3.302 10 0 DGAEHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1sccc1Br ZINC000713115673 661190133 /nfs/dbraw/zinc/19/01/33/661190133.db2.gz IIKMYACQCIVKMP-CMPLNLGQSA-N 1 3 317.296 3.160 10 0 DGAEHO CCOC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623074 661224913 /nfs/dbraw/zinc/22/49/13/661224913.db2.gz XKKXVSOUAXARSA-FHWLQOOXSA-N 1 3 316.489 3.444 10 0 DGAEHO CSCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623598 661224923 /nfs/dbraw/zinc/22/49/23/661224923.db2.gz BKOXGWFMNZWENL-KSZLIROESA-N 1 3 304.503 3.382 10 0 DGAEHO CCC(O)(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716622141 661225045 /nfs/dbraw/zinc/22/50/45/661225045.db2.gz TVLDFPOLFSXQMH-FHWLQOOXSA-N 1 3 316.489 3.180 10 0 DGAEHO COCC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716678664 661226457 /nfs/dbraw/zinc/22/64/57/661226457.db2.gz ABSWBJUAIHVRLM-KANFNMMFSA-N 1 3 302.462 3.054 10 0 DGAEHO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716712042 661227567 /nfs/dbraw/zinc/22/75/67/661227567.db2.gz KJEABTJIXPIWLS-RDGPPVDQSA-N 1 3 316.489 3.036 10 0 DGAEHO CC1(C)OCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716730479 661228017 /nfs/dbraw/zinc/22/80/17/661228017.db2.gz WYZPWWIRBSIEAQ-ZSYWTGECSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCO1 ZINC000716731338 661228034 /nfs/dbraw/zinc/22/80/34/661228034.db2.gz CVERRNVYMWJFNT-LWYYNNOASA-N 1 3 314.473 3.198 10 0 DGAEHO Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccnn2C)c1 ZINC000262025034 657291909 /nfs/dbraw/zinc/29/19/09/657291909.db2.gz WNOSXHVJFMJDIQ-JWTNVVGKSA-N 1 3 324.472 3.110 10 0 DGAEHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2(O)CCCCC2)C1 ZINC000246283828 662252720 /nfs/dbraw/zinc/25/27/20/662252720.db2.gz CKSJZVRHJCNTGJ-MSOLQXFVSA-N 1 3 308.510 3.268 10 0 DGAEHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2(O)CCCCC2)C1 ZINC000246283828 662252722 /nfs/dbraw/zinc/25/27/22/662252722.db2.gz CKSJZVRHJCNTGJ-MSOLQXFVSA-N 1 3 308.510 3.268 10 0 DGAEHO C[C@]1(CN[C@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000401661405 1093963429 /nfs/dbraw/zinc/96/34/29/1093963429.db2.gz VDUDAYBHIFDMBW-AZUAARDMSA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@]1(CN[C@H]2CCCc3n[nH]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000401661405 1093963431 /nfs/dbraw/zinc/96/34/31/1093963431.db2.gz VDUDAYBHIFDMBW-AZUAARDMSA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCN(Cc2ccccc2)C1 ZINC000401661405 1093963433 /nfs/dbraw/zinc/96/34/33/1093963433.db2.gz VDUDAYBHIFDMBW-AZUAARDMSA-N 1 3 324.472 3.289 10 0 DGAEHO c1[nH]nc2cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc12 ZINC000246099969 432094670 /nfs/dbraw/zinc/09/46/70/432094670.db2.gz JDZSUNSPLGPOBE-LPHOPBHVSA-N 1 3 310.445 3.012 10 0 DGAEHO c1[nH]nc2cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc12 ZINC000246099969 432094672 /nfs/dbraw/zinc/09/46/72/432094672.db2.gz JDZSUNSPLGPOBE-LPHOPBHVSA-N 1 3 310.445 3.012 10 0 DGAEHO C[NH+](C)CC1CCC(NCc2cnc(C(F)(F)F)s2)CC1 ZINC000443987118 239246141 /nfs/dbraw/zinc/24/61/41/239246141.db2.gz ITHLSXPMSBCCET-UHFFFAOYSA-N 1 3 321.412 3.372 10 0 DGAEHO COC[C@@H]1C[N@H+](C)C[C@]12CCN(Cc1cccc3ccccc31)C2 ZINC000248138083 257107743 /nfs/dbraw/zinc/10/77/43/257107743.db2.gz PKLRBZHMOFZTRV-FPOVZHCZSA-N 1 3 324.468 3.240 10 0 DGAEHO COC[C@@H]1C[N@@H+](C)C[C@]12CCN(Cc1cccc3ccccc31)C2 ZINC000248138083 257107744 /nfs/dbraw/zinc/10/77/44/257107744.db2.gz PKLRBZHMOFZTRV-FPOVZHCZSA-N 1 3 324.468 3.240 10 0 DGAEHO c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000635009862 401402124 /nfs/dbraw/zinc/40/21/24/401402124.db2.gz WWWLWPFMIFGRGX-JQERWDHBSA-N 1 3 313.489 3.486 10 0 DGAEHO c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)COCC2 ZINC000635013999 401404330 /nfs/dbraw/zinc/40/43/30/401404330.db2.gz XLACLKFYTWEBJU-HSALFYBXSA-N 1 3 314.473 3.160 10 0 DGAEHO C[C@H](N[C@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019566 401405297 /nfs/dbraw/zinc/40/52/97/401405297.db2.gz IACUKVVVLVAFIN-IHPCNDPISA-N 1 3 315.505 3.019 10 0 DGAEHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246876957 432176753 /nfs/dbraw/zinc/17/67/53/432176753.db2.gz DESHCZBFOIABPK-DEICHXMPSA-N 1 3 321.896 3.237 10 0 DGAEHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246876957 432176755 /nfs/dbraw/zinc/17/67/55/432176755.db2.gz DESHCZBFOIABPK-DEICHXMPSA-N 1 3 321.896 3.237 10 0 DGAEHO COc1c(C)cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1C ZINC000247277542 432218819 /nfs/dbraw/zinc/21/88/19/432218819.db2.gz YKEQOSKHQQRXRW-ROUUACIJSA-N 1 3 302.462 3.228 10 0 DGAEHO COc1c(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1C ZINC000247277542 432218822 /nfs/dbraw/zinc/21/88/22/432218822.db2.gz YKEQOSKHQQRXRW-ROUUACIJSA-N 1 3 302.462 3.228 10 0 DGAEHO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000191092112 432219465 /nfs/dbraw/zinc/21/94/65/432219465.db2.gz USPIEEITWOSUPT-WDYCEAGBSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@H](O)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191092112 432219470 /nfs/dbraw/zinc/21/94/70/432219470.db2.gz USPIEEITWOSUPT-WDYCEAGBSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@H](O)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191092112 432219474 /nfs/dbraw/zinc/21/94/74/432219474.db2.gz USPIEEITWOSUPT-WDYCEAGBSA-N 1 3 308.510 3.170 10 0 DGAEHO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)c1 ZINC000124738307 431903246 /nfs/dbraw/zinc/90/32/46/431903246.db2.gz NLKCIBOTSLRUMP-CRAIPNDOSA-N 1 3 318.461 3.325 10 0 DGAEHO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC[C@H]2CCCN2C)c1 ZINC000124738307 431903247 /nfs/dbraw/zinc/90/32/47/431903247.db2.gz NLKCIBOTSLRUMP-CRAIPNDOSA-N 1 3 318.461 3.325 10 0 DGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H]1CCCO1 ZINC000248416525 432288993 /nfs/dbraw/zinc/28/89/93/432288993.db2.gz PSSAQIHKJIJKSL-ABHMUUKNSA-N 1 3 314.473 3.054 10 0 DGAEHO C[NH2+]CCC1CCN(Cc2ccc3nc(C)sc3c2)CC1 ZINC000261774050 432449185 /nfs/dbraw/zinc/44/91/85/432449185.db2.gz DYHQELKUZFBDEK-UHFFFAOYSA-N 1 3 303.475 3.426 10 0 DGAEHO CC(C)CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261961774 432465737 /nfs/dbraw/zinc/46/57/37/432465737.db2.gz HJRUEQRFEFXMGV-PKOBYXMFSA-N 1 3 301.478 3.417 10 0 DGAEHO Cn1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000272503167 432514388 /nfs/dbraw/zinc/51/43/88/432514388.db2.gz FBJMVMXNXSFMAM-SLFFLAALSA-N 1 3 309.457 3.025 10 0 DGAEHO Cn1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000272503167 432514392 /nfs/dbraw/zinc/51/43/92/432514392.db2.gz FBJMVMXNXSFMAM-SLFFLAALSA-N 1 3 309.457 3.025 10 0 DGAEHO Cn1ccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000272503167 432514396 /nfs/dbraw/zinc/51/43/96/432514396.db2.gz FBJMVMXNXSFMAM-SLFFLAALSA-N 1 3 309.457 3.025 10 0 DGAEHO Cn1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000272503170 432514771 /nfs/dbraw/zinc/51/47/71/432514771.db2.gz FBJMVMXNXSFMAM-VAMGGRTRSA-N 1 3 309.457 3.025 10 0 DGAEHO Cn1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000272503170 432514775 /nfs/dbraw/zinc/51/47/75/432514775.db2.gz FBJMVMXNXSFMAM-VAMGGRTRSA-N 1 3 309.457 3.025 10 0 DGAEHO Cn1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 ZINC000272503170 432514780 /nfs/dbraw/zinc/51/47/80/432514780.db2.gz FBJMVMXNXSFMAM-VAMGGRTRSA-N 1 3 309.457 3.025 10 0 DGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CCCCC1 ZINC000177381248 432619306 /nfs/dbraw/zinc/61/93/06/432619306.db2.gz XPAOZDRXQPPBPI-SFHVURJKSA-N 1 3 321.553 3.495 10 0 DGAEHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000234802257 432740722 /nfs/dbraw/zinc/74/07/22/432740722.db2.gz ZGUGWNSRPLWSIN-JQWIXIFHSA-N 1 3 305.249 3.398 10 0 DGAEHO COC[C@@H](CCC[NH3+])N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000234745769 432740779 /nfs/dbraw/zinc/74/07/79/432740779.db2.gz OSFGVOGMOKFIHA-TZMCWYRMSA-N 1 3 314.882 3.220 10 0 DGAEHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430388 432829543 /nfs/dbraw/zinc/82/95/43/432829543.db2.gz NOVWRILMTWODKX-ZFWWWQNUSA-N 1 3 312.404 3.450 10 0 DGAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430388 432829544 /nfs/dbraw/zinc/82/95/44/432829544.db2.gz NOVWRILMTWODKX-ZFWWWQNUSA-N 1 3 312.404 3.450 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)C1 ZINC000163305915 432849643 /nfs/dbraw/zinc/84/96/43/432849643.db2.gz KFFAMFTZHVYXPA-WMZOPIPTSA-N 1 3 304.478 3.194 10 0 DGAEHO c1ccc(CN(CCCN[C@@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000307139263 434086313 /nfs/dbraw/zinc/08/63/13/434086313.db2.gz CLEAKRONQFEGIU-OAQYLSRUSA-N 1 3 323.484 3.030 10 0 DGAEHO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000310020186 434110059 /nfs/dbraw/zinc/11/00/59/434110059.db2.gz RCGMBUOICCCLGN-RTBURBONSA-N 1 3 318.505 3.285 10 0 DGAEHO CC(C)(C)[C@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310020186 434110065 /nfs/dbraw/zinc/11/00/65/434110065.db2.gz RCGMBUOICCCLGN-RTBURBONSA-N 1 3 318.505 3.285 10 0 DGAEHO CC(C)(C)[C@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310020186 434110072 /nfs/dbraw/zinc/11/00/72/434110072.db2.gz RCGMBUOICCCLGN-RTBURBONSA-N 1 3 318.505 3.285 10 0 DGAEHO CC1(C)COC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000313157479 434124233 /nfs/dbraw/zinc/12/42/33/434124233.db2.gz YICIPBJLNVWMSF-XVLXNVKGSA-N 1 3 314.473 3.197 10 0 DGAEHO CC1(C)COC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000313157479 434124235 /nfs/dbraw/zinc/12/42/35/434124235.db2.gz YICIPBJLNVWMSF-XVLXNVKGSA-N 1 3 314.473 3.197 10 0 DGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379653435 434260552 /nfs/dbraw/zinc/26/05/52/434260552.db2.gz ZPQVNEMKINFZRY-ZCNNSNEGSA-N 1 3 315.505 3.148 10 0 DGAEHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379653434 434260791 /nfs/dbraw/zinc/26/07/91/434260791.db2.gz ZPQVNEMKINFZRY-XUVXKRRUSA-N 1 3 315.505 3.148 10 0 DGAEHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532647366 435182162 /nfs/dbraw/zinc/18/21/62/435182162.db2.gz HUELUFJINOIEOM-IAGOWNOFSA-N 1 3 324.509 3.305 10 0 DGAEHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532647366 435182168 /nfs/dbraw/zinc/18/21/68/435182168.db2.gz HUELUFJINOIEOM-IAGOWNOFSA-N 1 3 324.509 3.305 10 0 DGAEHO c1ccc([C@H]2C[C@H](Nc3ccc4c(c3)OCCNC4)CC[NH2+]2)cc1 ZINC000530246249 313347745 /nfs/dbraw/zinc/34/77/45/313347745.db2.gz DABNRQJYIDGJNK-RTBURBONSA-N 1 3 323.440 3.074 10 0 DGAEHO CC[NH+](CC)CC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125689 528094388 /nfs/dbraw/zinc/09/43/88/528094388.db2.gz GIXDWVQNXGFVSG-UHFFFAOYSA-N 1 3 316.449 3.224 10 0 DGAEHO CCCN1CC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493916436 534947252 /nfs/dbraw/zinc/94/72/52/534947252.db2.gz JTWFIYOABQTLQM-VIQWUECVSA-N 1 3 302.462 3.056 10 0 DGAEHO CCC[N@@H+]1CC[C@@H](CNC2CC(OCc3ccccc3)C2)C1 ZINC000493916436 534947258 /nfs/dbraw/zinc/94/72/58/534947258.db2.gz JTWFIYOABQTLQM-VIQWUECVSA-N 1 3 302.462 3.056 10 0 DGAEHO CCC[N@H+]1CC[C@@H](CNC2CC(OCc3ccccc3)C2)C1 ZINC000493916436 534947262 /nfs/dbraw/zinc/94/72/62/534947262.db2.gz JTWFIYOABQTLQM-VIQWUECVSA-N 1 3 302.462 3.056 10 0 DGAEHO c1ccc(COCCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166405186 546094326 /nfs/dbraw/zinc/09/43/26/546094326.db2.gz QVMQYZCYOPJPGH-RTBURBONSA-N 1 3 302.462 3.200 10 0 DGAEHO c1ccc(COCCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166405186 546094330 /nfs/dbraw/zinc/09/43/30/546094330.db2.gz QVMQYZCYOPJPGH-RTBURBONSA-N 1 3 302.462 3.200 10 0 DGAEHO c1ccc(COCCCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)cc1 ZINC000166405186 546094333 /nfs/dbraw/zinc/09/43/33/546094333.db2.gz QVMQYZCYOPJPGH-RTBURBONSA-N 1 3 302.462 3.200 10 0 DGAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000248894861 546322867 /nfs/dbraw/zinc/32/28/67/546322867.db2.gz IDGICVLNOKJDKM-NEWSRXKRSA-N 1 3 309.542 3.063 10 0 DGAEHO C[C@]1(CNC(=[NH2+])NC2CCCC2)CCCN1Cc1ccccc1 ZINC000153558444 620579500 /nfs/dbraw/zinc/57/95/00/620579500.db2.gz AMOWAJYGIAQUMS-LJQANCHMSA-N 1 3 314.477 3.098 10 0 DGAEHO COC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716681425 661227329 /nfs/dbraw/zinc/22/73/29/661227329.db2.gz WWJLWSLKQWKDTC-OJAHFUOMSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOC1 ZINC000716682203 661227486 /nfs/dbraw/zinc/22/74/86/661227486.db2.gz NXUNVYDNFNBCAA-MUGJNUQGSA-N 1 3 314.473 3.056 10 0 DGAEHO CC[C@H](O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681582 661227576 /nfs/dbraw/zinc/22/75/76/661227576.db2.gz MFECBEKTEBGYSH-YRPNKDGESA-N 1 3 316.489 3.180 10 0 DGAEHO C[C@H](CCCCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681552 661227653 /nfs/dbraw/zinc/22/76/53/661227653.db2.gz LNPURGNLYZXAMO-MDNKFWRPSA-N 1 3 316.489 3.180 10 0 DGAEHO C[C@H]1C[C@H](NCCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000719847137 662298126 /nfs/dbraw/zinc/29/81/26/662298126.db2.gz AWVFGFULLHRREQ-DOTOQJQBSA-N 1 3 315.486 3.328 10 0 DGAEHO C[C@H]1C[C@H](NCCc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000719847137 662298129 /nfs/dbraw/zinc/29/81/29/662298129.db2.gz AWVFGFULLHRREQ-DOTOQJQBSA-N 1 3 315.486 3.328 10 0 DGAEHO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309905303 231107003 /nfs/dbraw/zinc/10/70/03/231107003.db2.gz JWULKHHLDRANEC-UJMXGEILSA-N 1 3 314.473 3.054 10 0 DGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCOc2ccc(C)cc21 ZINC000165998662 432057637 /nfs/dbraw/zinc/05/76/37/432057637.db2.gz XUAOEQTZSFZPDE-WMZOPIPTSA-N 1 3 320.477 3.155 10 0 DGAEHO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000237076011 202144227 /nfs/dbraw/zinc/14/42/27/202144227.db2.gz JZWZHGXZFYIEMN-RDTXWAMCSA-N 1 3 311.429 3.071 10 0 DGAEHO c1ccc(CSCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038134 237027526 /nfs/dbraw/zinc/02/75/26/237027526.db2.gz HKUYGLSANFNDEH-QZTJIDSGSA-N 1 3 304.503 3.384 10 0 DGAEHO COc1ccccc1C[C@@H]1CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000246578821 432146198 /nfs/dbraw/zinc/14/61/98/432146198.db2.gz CMZMLLFRUTXASK-ROUUACIJSA-N 1 3 302.462 3.186 10 0 DGAEHO COc1ccccc1C[C@@H]1CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000246578821 432146200 /nfs/dbraw/zinc/14/62/00/432146200.db2.gz CMZMLLFRUTXASK-ROUUACIJSA-N 1 3 302.462 3.186 10 0 DGAEHO COCC[N@H+](C)CCCN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000181943599 432150287 /nfs/dbraw/zinc/15/02/87/432150287.db2.gz FKPOHXKBDDBCKF-KRWDZBQOSA-N 1 3 314.420 3.220 10 0 DGAEHO COCC[N@@H+](C)CCCN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000181943599 432150291 /nfs/dbraw/zinc/15/02/91/432150291.db2.gz FKPOHXKBDDBCKF-KRWDZBQOSA-N 1 3 314.420 3.220 10 0 DGAEHO c1ccc2c(c1)CO[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000629511754 400950592 /nfs/dbraw/zinc/95/05/92/400950592.db2.gz AIVBAVGOAOLUBO-MTQWCTHYSA-N 1 3 314.473 3.028 10 0 DGAEHO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c2c(c1)CNCC2 ZINC000635010838 401403020 /nfs/dbraw/zinc/40/30/20/401403020.db2.gz NIZVSFWQGTWWCP-DFQSSKMNSA-N 1 3 314.473 3.017 10 0 DGAEHO c1ccc(COC2CC(NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000359080800 286232181 /nfs/dbraw/zinc/23/21/81/286232181.db2.gz JZRRHLUGXUTYIT-UHFFFAOYSA-N 1 3 314.473 3.341 10 0 DGAEHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246876938 432177047 /nfs/dbraw/zinc/17/70/47/432177047.db2.gz DESHCZBFOIABPK-AHEZYBDSSA-N 1 3 321.896 3.237 10 0 DGAEHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246876938 432177049 /nfs/dbraw/zinc/17/70/49/432177049.db2.gz DESHCZBFOIABPK-AHEZYBDSSA-N 1 3 321.896 3.237 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000247228569 432213553 /nfs/dbraw/zinc/21/35/53/432213553.db2.gz YDFUQLNVNSFJFO-AEFFLSMTSA-N 1 3 302.462 3.449 10 0 DGAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966548 432256398 /nfs/dbraw/zinc/25/63/98/432256398.db2.gz DTZOSDSFEDEBGP-HOTGVXAUSA-N 1 3 302.418 3.037 10 0 DGAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966548 432256402 /nfs/dbraw/zinc/25/64/02/432256402.db2.gz DTZOSDSFEDEBGP-HOTGVXAUSA-N 1 3 302.418 3.037 10 0 DGAEHO CC[N@@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071570 276221656 /nfs/dbraw/zinc/22/16/56/276221656.db2.gz FZXBCFSDRTUJGA-KDOFPFPSSA-N 1 3 302.462 3.349 10 0 DGAEHO CC[N@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071570 276221657 /nfs/dbraw/zinc/22/16/57/276221657.db2.gz FZXBCFSDRTUJGA-KDOFPFPSSA-N 1 3 302.462 3.349 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071570 276221659 /nfs/dbraw/zinc/22/16/59/276221659.db2.gz FZXBCFSDRTUJGA-KDOFPFPSSA-N 1 3 302.462 3.349 10 0 DGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096663 431782204 /nfs/dbraw/zinc/78/22/04/431782204.db2.gz YUJHUFMVBWUZGB-APWZRJJASA-N 1 3 312.461 3.034 10 0 DGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096663 431782205 /nfs/dbraw/zinc/78/22/05/431782205.db2.gz YUJHUFMVBWUZGB-APWZRJJASA-N 1 3 312.461 3.034 10 0 DGAEHO C[C@@H]1CCC[C@H](CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000089126118 431860833 /nfs/dbraw/zinc/86/08/33/431860833.db2.gz JJZMNZULLRGTNZ-AQNXPRMDSA-N 1 3 321.553 3.305 10 0 DGAEHO C[C@@H]1CCC[C@H](CCN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000089126118 431860835 /nfs/dbraw/zinc/86/08/35/431860835.db2.gz JJZMNZULLRGTNZ-AQNXPRMDSA-N 1 3 321.553 3.305 10 0 DGAEHO CC(C)CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261961771 432465987 /nfs/dbraw/zinc/46/59/87/432465987.db2.gz HJRUEQRFEFXMGV-MJGOQNOKSA-N 1 3 301.478 3.417 10 0 DGAEHO Cc1ccc2c(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn(C)c2c1 ZINC000188695156 432740145 /nfs/dbraw/zinc/74/01/45/432740145.db2.gz BWYAJDOXHSTMKN-QZTJIDSGSA-N 1 3 311.473 3.246 10 0 DGAEHO Cc1ccc2c(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn(C)c2c1 ZINC000188695156 432740149 /nfs/dbraw/zinc/74/01/49/432740149.db2.gz BWYAJDOXHSTMKN-QZTJIDSGSA-N 1 3 311.473 3.246 10 0 DGAEHO c1sc(-c2ccccc2)nc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414982002 433954143 /nfs/dbraw/zinc/95/41/43/433954143.db2.gz YBRMFEPCOJLZNI-HNNXBMFYSA-N 1 3 301.459 3.432 10 0 DGAEHO c1cc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422805839 434014818 /nfs/dbraw/zinc/01/48/18/434014818.db2.gz JSDJVYUUBSAQKU-WMZOPIPTSA-N 1 3 314.454 3.136 10 0 DGAEHO c1ccc(COCCCN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000309976908 434103875 /nfs/dbraw/zinc/10/38/75/434103875.db2.gz RRVRNLWASKNQGQ-OALUTQOASA-N 1 3 302.462 3.057 10 0 DGAEHO CC[C@](C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)OC ZINC000319950270 434232787 /nfs/dbraw/zinc/23/27/87/434232787.db2.gz VDQOAVIHXRUDHI-MTQWCTHYSA-N 1 3 316.489 3.302 10 0 DGAEHO Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000385076062 434298884 /nfs/dbraw/zinc/29/88/84/434298884.db2.gz XPNYQRNWHDYALH-NJDAHSKKSA-N 1 3 321.468 3.390 10 0 DGAEHO C[C@@H](NCCc1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000521423781 434883228 /nfs/dbraw/zinc/88/32/28/434883228.db2.gz RALVWIFXABOGOO-MNOVXSKESA-N 1 3 317.296 3.031 10 0 DGAEHO C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CCCNC1 ZINC000521423781 434883232 /nfs/dbraw/zinc/88/32/32/434883232.db2.gz RALVWIFXABOGOO-MNOVXSKESA-N 1 3 317.296 3.031 10 0 DGAEHO C[C@H](NCCc1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000521423782 434883237 /nfs/dbraw/zinc/88/32/37/434883237.db2.gz RALVWIFXABOGOO-QWRGUYRKSA-N 1 3 317.296 3.031 10 0 DGAEHO C[C@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CCCNC1 ZINC000521423782 434883241 /nfs/dbraw/zinc/88/32/41/434883241.db2.gz RALVWIFXABOGOO-QWRGUYRKSA-N 1 3 317.296 3.031 10 0 DGAEHO C/C(=C\c1ccc(Cl)cc1)CNC1(CCO)CC[NH+](C)CC1 ZINC000573981081 434939595 /nfs/dbraw/zinc/93/95/95/434939595.db2.gz IQVDPNRYVBWGGX-FYWRMAATSA-N 1 3 322.880 3.180 10 0 DGAEHO C/C(=C/c1ccccc1OC(F)F)CNCCC[NH+]1CCC1 ZINC000572617290 435846344 /nfs/dbraw/zinc/84/63/44/435846344.db2.gz YTBZWQAUHIBFTQ-OWBHPGMISA-N 1 3 310.388 3.377 10 0 DGAEHO c1cc(C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)ccn1 ZINC000572888126 435878643 /nfs/dbraw/zinc/87/86/43/435878643.db2.gz JVZFHDSAXKZKIK-UHFFFAOYSA-N 1 3 307.441 3.107 10 0 DGAEHO CC1=CCN(CCNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000545864720 314271205 /nfs/dbraw/zinc/27/12/05/314271205.db2.gz JBDIOILRHBVILK-ICSRJNTNSA-N 1 3 319.537 3.271 10 0 DGAEHO Clc1ccc(C2(OCCN3CCCCC3)CC[NH2+]CC2)cc1 ZINC000584649963 337380599 /nfs/dbraw/zinc/38/05/99/337380599.db2.gz IONZMVQSRJMNKW-UHFFFAOYSA-N 1 3 322.880 3.421 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000163268082 521711386 /nfs/dbraw/zinc/71/13/86/521711386.db2.gz YDFUQLNVNSFJFO-FUHWJXTLSA-N 1 3 302.462 3.449 10 0 DGAEHO C[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000397709923 546763412 /nfs/dbraw/zinc/76/34/12/546763412.db2.gz YOYDCDRVCDSMSX-QGZVFWFLSA-N 1 3 318.505 3.285 10 0 DGAEHO C[C@H](CO)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623038 661225073 /nfs/dbraw/zinc/22/50/73/661225073.db2.gz XEHWDJXCGABGQY-LEAZDLGRSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@H](CO)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623035 661225233 /nfs/dbraw/zinc/22/52/33/661225233.db2.gz XEHWDJXCGABGQY-FFGOWVMKSA-N 1 3 316.489 3.038 10 0 DGAEHO CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620027 661225254 /nfs/dbraw/zinc/22/52/54/661225254.db2.gz KHUXOTOWHXLXQM-MUGJNUQGSA-N 1 3 316.489 3.036 10 0 DGAEHO C[C@@H](CCO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716679214 661226420 /nfs/dbraw/zinc/22/64/20/661226420.db2.gz LTRQHJBFFGMNBJ-GTAWCEEGSA-N 1 3 316.489 3.038 10 0 DGAEHO COC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674256 661226468 /nfs/dbraw/zinc/22/64/68/661226468.db2.gz WWLFLHQTRIBTIN-BZSNNMDCSA-N 1 3 302.462 3.054 10 0 DGAEHO COCC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716678669 661226658 /nfs/dbraw/zinc/22/66/58/661226658.db2.gz ABSWBJUAIHVRLM-WNHJNPCNSA-N 1 3 302.462 3.054 10 0 DGAEHO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C[C@H](C)O ZINC000716680299 661226700 /nfs/dbraw/zinc/22/67/00/661226700.db2.gz HVYHKFUKUPPXAL-JVJLKXRTSA-N 1 3 316.489 3.036 10 0 DGAEHO CC(C)(C)[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716712041 661227595 /nfs/dbraw/zinc/22/75/95/661227595.db2.gz KJEABTJIXPIWLS-CADBVGFASA-N 1 3 316.489 3.036 10 0 DGAEHO COC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716699871 661227606 /nfs/dbraw/zinc/22/76/06/661227606.db2.gz MOURXUNBNFVFNM-KNJMJIDISA-N 1 3 314.473 3.054 10 0 DGAEHO COCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716729712 661228238 /nfs/dbraw/zinc/22/82/38/661228238.db2.gz VGUFWLXTMLNLFR-OTWHNJEPSA-N 1 3 314.473 3.056 10 0 DGAEHO C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353684453 660026731 /nfs/dbraw/zinc/02/67/31/660026731.db2.gz SIUDXZMRTSPRKA-KVSKMBFKSA-N 1 3 324.472 3.287 10 0 DGAEHO c1[nH]nc2c1[C@H]([NH2+]C[C@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000401671686 1093963395 /nfs/dbraw/zinc/96/33/95/1093963395.db2.gz ZVYGQHZLDSKVIH-IEBWSBKVSA-N 1 3 324.472 3.289 10 0 DGAEHO c1[nH]nc2c1[C@H](NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000401671686 1093963397 /nfs/dbraw/zinc/96/33/97/1093963397.db2.gz ZVYGQHZLDSKVIH-IEBWSBKVSA-N 1 3 324.472 3.289 10 0 DGAEHO c1[nH]nc2c1[C@H](NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000401671686 1093963398 /nfs/dbraw/zinc/96/33/98/1093963398.db2.gz ZVYGQHZLDSKVIH-IEBWSBKVSA-N 1 3 324.472 3.289 10 0 DGAEHO C1CCC(N2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)C1 ZINC000127049063 284325710 /nfs/dbraw/zinc/32/57/10/284325710.db2.gz ZPJSSABECWXLEY-KRWDZBQOSA-N 1 3 306.494 3.475 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CCN1C ZINC000119664458 195011753 /nfs/dbraw/zinc/01/17/53/195011753.db2.gz HHNWLPMQHRKSDS-RLLQIKCJSA-N 1 3 315.505 3.113 10 0 DGAEHO CCSCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000393905886 400279778 /nfs/dbraw/zinc/27/97/78/400279778.db2.gz MJDLAJRUYWENCN-RCCFBDPRSA-N 1 3 304.503 3.240 10 0 DGAEHO c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2c(c1)COCC2 ZINC000635014002 401404288 /nfs/dbraw/zinc/40/42/88/401404288.db2.gz XLACLKFYTWEBJU-XUVXKRRUSA-N 1 3 314.473 3.160 10 0 DGAEHO COCc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246873140 432175971 /nfs/dbraw/zinc/17/59/71/432175971.db2.gz QDKIQKMNDLXVMR-AZUAARDMSA-N 1 3 314.473 3.282 10 0 DGAEHO COCc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246873140 432175975 /nfs/dbraw/zinc/17/59/75/432175975.db2.gz QDKIQKMNDLXVMR-AZUAARDMSA-N 1 3 314.473 3.282 10 0 DGAEHO CN1CCC[C@@H]2C[N@H+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576875 432303575 /nfs/dbraw/zinc/30/35/75/432303575.db2.gz NQEGDKJEBWYYJG-RTBURBONSA-N 1 3 302.462 3.009 10 0 DGAEHO CN1CCC[C@@H]2C[N@@H+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576875 432303579 /nfs/dbraw/zinc/30/35/79/432303579.db2.gz NQEGDKJEBWYYJG-RTBURBONSA-N 1 3 302.462 3.009 10 0 DGAEHO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000184018466 432345972 /nfs/dbraw/zinc/34/59/72/432345972.db2.gz DYZZAXQOQNRCHW-ROUUACIJSA-N 1 3 301.478 3.072 10 0 DGAEHO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000184018466 432345975 /nfs/dbraw/zinc/34/59/75/432345975.db2.gz DYZZAXQOQNRCHW-ROUUACIJSA-N 1 3 301.478 3.072 10 0 DGAEHO CCCC[C@@H](CC)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000183616669 432309784 /nfs/dbraw/zinc/30/97/84/432309784.db2.gz UPMVOJDANNTQIP-RTBURBONSA-N 1 3 309.542 3.305 10 0 DGAEHO CCCC[C@@H](CC)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183616669 432309790 /nfs/dbraw/zinc/30/97/90/432309790.db2.gz UPMVOJDANNTQIP-RTBURBONSA-N 1 3 309.542 3.305 10 0 DGAEHO CCCC[C@H](CC)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183616652 432309952 /nfs/dbraw/zinc/30/99/52/432309952.db2.gz UPMVOJDANNTQIP-OALUTQOASA-N 1 3 309.542 3.305 10 0 DGAEHO CCCC[C@H](CC)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183616652 432309954 /nfs/dbraw/zinc/30/99/54/432309954.db2.gz UPMVOJDANNTQIP-OALUTQOASA-N 1 3 309.542 3.305 10 0 DGAEHO Cc1nccn1-c1ccc([C@@H](C)NCC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000183678917 432315616 /nfs/dbraw/zinc/31/56/16/432315616.db2.gz IYMJLZGOHQDDRU-QAPCUYQASA-N 1 3 312.461 3.316 10 0 DGAEHO Cc1nccn1-c1ccc([C@@H](C)NCC[C@@H]2CCC[N@H+]2C)cc1 ZINC000183678917 432315620 /nfs/dbraw/zinc/31/56/20/432315620.db2.gz IYMJLZGOHQDDRU-QAPCUYQASA-N 1 3 312.461 3.316 10 0 DGAEHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000183678917 432315623 /nfs/dbraw/zinc/31/56/23/432315623.db2.gz IYMJLZGOHQDDRU-QAPCUYQASA-N 1 3 312.461 3.316 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CCN1C ZINC000152946658 432370562 /nfs/dbraw/zinc/37/05/62/432370562.db2.gz CRIIPUGUZWVNBL-RLLQIKCJSA-N 1 3 315.505 3.113 10 0 DGAEHO c1ccc2oc([C@H]3CCC[N@@H+](CCCN4CCCC4)C3)nc2c1 ZINC000162796805 432834668 /nfs/dbraw/zinc/83/46/68/432834668.db2.gz IGVDEGWFVOCPFQ-INIZCTEOSA-N 1 3 313.445 3.493 10 0 DGAEHO c1ccc2oc([C@H]3CCC[N@H+](CCCN4CCCC4)C3)nc2c1 ZINC000162796805 432834671 /nfs/dbraw/zinc/83/46/71/432834671.db2.gz IGVDEGWFVOCPFQ-INIZCTEOSA-N 1 3 313.445 3.493 10 0 DGAEHO Cc1ccc(C)c([C@@H]2CN(CC3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000178975413 432792529 /nfs/dbraw/zinc/79/25/29/432792529.db2.gz LSDJDBIVCGYMPJ-APWZRJJASA-N 1 3 302.462 3.065 10 0 DGAEHO C[C@H](c1ccccc1Cl)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178978844 432792807 /nfs/dbraw/zinc/79/28/07/432792807.db2.gz BCVXSLJNLLMUOO-OAHLLOKOSA-N 1 3 321.896 3.018 10 0 DGAEHO Cc1cccc(NC2CC[NH+](CCCN3CCCC3)CC2)c1 ZINC000162015619 432808745 /nfs/dbraw/zinc/80/87/45/432808745.db2.gz HHUKFUACBNHKNI-UHFFFAOYSA-N 1 3 301.478 3.357 10 0 DGAEHO COc1ccc([C@@H](C)CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245948728 432872091 /nfs/dbraw/zinc/87/20/91/432872091.db2.gz WMFWGWAIPMDFSD-IRXDYDNUSA-N 1 3 302.462 3.216 10 0 DGAEHO COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000245948728 432872092 /nfs/dbraw/zinc/87/20/92/432872092.db2.gz WMFWGWAIPMDFSD-IRXDYDNUSA-N 1 3 302.462 3.216 10 0 DGAEHO COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000245948728 432872094 /nfs/dbraw/zinc/87/20/94/432872094.db2.gz WMFWGWAIPMDFSD-IRXDYDNUSA-N 1 3 302.462 3.216 10 0 DGAEHO c1ccc([C@H]([NH2+]CCCN2CCCCC2)[C@H]2CCOC2)cc1 ZINC000372898487 433056327 /nfs/dbraw/zinc/05/63/27/433056327.db2.gz VISSPGISNXVKOE-OALUTQOASA-N 1 3 302.462 3.230 10 0 DGAEHO c1ccc([C@H](NCCC[NH+]2CCCCC2)[C@H]2CCOC2)cc1 ZINC000372898487 433056336 /nfs/dbraw/zinc/05/63/36/433056336.db2.gz VISSPGISNXVKOE-OALUTQOASA-N 1 3 302.462 3.230 10 0 DGAEHO C[C@H](NCCOCC[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000447597462 433238034 /nfs/dbraw/zinc/23/80/34/433238034.db2.gz GCTQYKHECSAKBP-NSHDSACASA-N 1 3 305.249 3.222 10 0 DGAEHO c1cc(C[NH+]2CCCCC2)ccc1CN1CC[C@@]12CCOC2 ZINC000421026820 433395472 /nfs/dbraw/zinc/39/54/72/433395472.db2.gz UABBWBLFOYRHLI-IBGZPJMESA-N 1 3 300.446 3.037 10 0 DGAEHO Cc1cc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)on1 ZINC000376068050 433654947 /nfs/dbraw/zinc/65/49/47/433654947.db2.gz OEGRVAJTFVUQLM-SJLPKXTDSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000376068050 433654956 /nfs/dbraw/zinc/65/49/56/433654956.db2.gz OEGRVAJTFVUQLM-SJLPKXTDSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000376068050 433654966 /nfs/dbraw/zinc/65/49/66/433654966.db2.gz OEGRVAJTFVUQLM-SJLPKXTDSA-N 1 3 313.445 3.026 10 0 DGAEHO CC1(C)COC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000313157478 434123130 /nfs/dbraw/zinc/12/31/30/434123130.db2.gz YICIPBJLNVWMSF-IPQPSQTFSA-N 1 3 314.473 3.197 10 0 DGAEHO CC1(C)COC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000313157478 434123138 /nfs/dbraw/zinc/12/31/38/434123138.db2.gz YICIPBJLNVWMSF-IPQPSQTFSA-N 1 3 314.473 3.197 10 0 DGAEHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510671366 294389102 /nfs/dbraw/zinc/38/91/02/294389102.db2.gz ZOADVOHHTMXPHH-WOJBJXKFSA-N 1 3 316.489 3.338 10 0 DGAEHO C(C[NH2+]C1CCCCCC1)N[C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423274123 434328800 /nfs/dbraw/zinc/32/88/00/434328800.db2.gz JYSAGENPYNTVQE-BHIYHBOVSA-N 1 3 308.510 3.484 10 0 DGAEHO c1cc2c(s1)CCC[C@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423194525 434278205 /nfs/dbraw/zinc/27/82/05/434278205.db2.gz YYMQHMNEZBXBKU-MRXNPFEDSA-N 1 3 301.459 3.290 10 0 DGAEHO CCN1CCC([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000397875418 434446103 /nfs/dbraw/zinc/44/61/03/434446103.db2.gz AAOSIIFZQUWKQW-HXUWFJFHSA-N 1 3 315.505 3.115 10 0 DGAEHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532647365 435183941 /nfs/dbraw/zinc/18/39/41/435183941.db2.gz HUELUFJINOIEOM-DLBZAZTESA-N 1 3 324.509 3.305 10 0 DGAEHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532647365 435183949 /nfs/dbraw/zinc/18/39/49/435183949.db2.gz HUELUFJINOIEOM-DLBZAZTESA-N 1 3 324.509 3.305 10 0 DGAEHO CCCN(CC)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000484472056 435545427 /nfs/dbraw/zinc/54/54/27/435545427.db2.gz JPMNKJMZXBTDQY-AZUAARDMSA-N 1 3 317.521 3.219 10 0 DGAEHO FC(F)(F)CCN(Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000261943000 303113134 /nfs/dbraw/zinc/11/31/34/303113134.db2.gz MZTRDLCLVAQDMI-UHFFFAOYSA-N 1 3 300.368 3.441 10 0 DGAEHO CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716621554 661225114 /nfs/dbraw/zinc/22/51/14/661225114.db2.gz RFSAKFAPZRNIRJ-ZGXWSNOMSA-N 1 3 316.489 3.036 10 0 DGAEHO C[C@H](CCO)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716679213 661226776 /nfs/dbraw/zinc/22/67/76/661226776.db2.gz LTRQHJBFFGMNBJ-FFGOWVMKSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@H](CCO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716679215 661226820 /nfs/dbraw/zinc/22/68/20/661226820.db2.gz LTRQHJBFFGMNBJ-LEAZDLGRSA-N 1 3 316.489 3.038 10 0 DGAEHO CCC[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716695830 661227438 /nfs/dbraw/zinc/22/74/38/661227438.db2.gz YJRJNFMORYOOSY-ZGXWSNOMSA-N 1 3 316.489 3.444 10 0 DGAEHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000716716215 661227743 /nfs/dbraw/zinc/22/77/43/661227743.db2.gz GGJPZBSRGDDZJB-MUGJNUQGSA-N 1 3 312.457 3.322 10 0 DGAEHO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000237076037 202144064 /nfs/dbraw/zinc/14/40/64/202144064.db2.gz JZWZHGXZFYIEMN-KDOFPFPSSA-N 1 3 311.429 3.071 10 0 DGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccs1 ZINC000124652039 299283121 /nfs/dbraw/zinc/28/31/21/299283121.db2.gz TUSGPOGDPAYDIG-INIZCTEOSA-N 1 3 321.534 3.349 10 0 DGAEHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000171138713 432105351 /nfs/dbraw/zinc/10/53/51/432105351.db2.gz IJKITBQPHKEEPY-UHFFFAOYSA-N 1 3 300.446 3.067 10 0 DGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638954 284013955 /nfs/dbraw/zinc/01/39/55/284013955.db2.gz RWNVLTVTBLEVBF-AEFFLSMTSA-N 1 3 304.478 3.474 10 0 DGAEHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638954 284013957 /nfs/dbraw/zinc/01/39/57/284013957.db2.gz RWNVLTVTBLEVBF-AEFFLSMTSA-N 1 3 304.478 3.474 10 0 DGAEHO CCCOc1c(Cl)cc(C[NH2+]CCCN(C)C)cc1OC ZINC000020968088 182257287 /nfs/dbraw/zinc/25/72/87/182257287.db2.gz SNLKUWUUQLMCQF-UHFFFAOYSA-N 1 3 314.857 3.179 10 0 DGAEHO CC1(C)[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181626231 432139744 /nfs/dbraw/zinc/13/97/44/432139744.db2.gz DALZMFZPYFBLNA-OTWHNJEPSA-N 1 3 320.521 3.434 10 0 DGAEHO CC1(C)[C@H](NC2CC[NH+](CC3CCCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181626231 432139748 /nfs/dbraw/zinc/13/97/48/432139748.db2.gz DALZMFZPYFBLNA-OTWHNJEPSA-N 1 3 320.521 3.434 10 0 DGAEHO COc1ccccc1/C=C\CN1CCC(CC[NH+](C)C)CC1 ZINC000255586458 285166831 /nfs/dbraw/zinc/16/68/31/285166831.db2.gz XNEUTQYBOXCSOR-VURMDHGXSA-N 1 3 302.462 3.372 10 0 DGAEHO c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)COCC2 ZINC000635014000 401404338 /nfs/dbraw/zinc/40/43/38/401404338.db2.gz XLACLKFYTWEBJU-SLFFLAALSA-N 1 3 314.473 3.160 10 0 DGAEHO COCCC1(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)CCCCC1 ZINC000187468704 165091048 /nfs/dbraw/zinc/09/10/48/165091048.db2.gz OLQXXOILIUYQSS-MSOLQXFVSA-N 1 3 308.510 3.390 10 0 DGAEHO COCCC1(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)CCCCC1 ZINC000187468704 165091052 /nfs/dbraw/zinc/09/10/52/165091052.db2.gz OLQXXOILIUYQSS-MSOLQXFVSA-N 1 3 308.510 3.390 10 0 DGAEHO c1[nH]nc(-c2ccccc2)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000134200488 196369908 /nfs/dbraw/zinc/36/99/08/196369908.db2.gz JLKILWVLXGUTMY-UHFFFAOYSA-N 1 3 324.472 3.385 10 0 DGAEHO c1ccc2c(c1)C=C(CN1CCC(C[NH+]3CCCC3)CC1)CO2 ZINC000134213353 196371060 /nfs/dbraw/zinc/37/10/60/196371060.db2.gz SLUYJMPANJFNJD-UHFFFAOYSA-N 1 3 312.457 3.270 10 0 DGAEHO C[N@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)C1CCCC1 ZINC000121183954 431751643 /nfs/dbraw/zinc/75/16/43/431751643.db2.gz RSYNASOXWLDXJC-HXUWFJFHSA-N 1 3 316.489 3.306 10 0 DGAEHO C[N@@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)C1CCCC1 ZINC000121183954 431751650 /nfs/dbraw/zinc/75/16/50/431751650.db2.gz RSYNASOXWLDXJC-HXUWFJFHSA-N 1 3 316.489 3.306 10 0 DGAEHO COc1ccccc1C[C@H]1CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000125039832 431911868 /nfs/dbraw/zinc/91/18/68/431911868.db2.gz CMZMLLFRUTXASK-ZWKOTPCHSA-N 1 3 302.462 3.186 10 0 DGAEHO COc1ccccc1C[C@H]1CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000125039832 431911871 /nfs/dbraw/zinc/91/18/71/431911871.db2.gz CMZMLLFRUTXASK-ZWKOTPCHSA-N 1 3 302.462 3.186 10 0 DGAEHO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000248388531 432283710 /nfs/dbraw/zinc/28/37/10/432283710.db2.gz DYZZAXQOQNRCHW-ZWKOTPCHSA-N 1 3 301.478 3.072 10 0 DGAEHO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC[C@H]1CCCN1C ZINC000248388531 432283711 /nfs/dbraw/zinc/28/37/11/432283711.db2.gz DYZZAXQOQNRCHW-ZWKOTPCHSA-N 1 3 301.478 3.072 10 0 DGAEHO COCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248411126 432287698 /nfs/dbraw/zinc/28/76/98/432287698.db2.gz YUYSEYXBLSPWLR-VAMGGRTRSA-N 1 3 316.489 3.303 10 0 DGAEHO Cc1nccn1-c1ccc([C@H](C)NCC[C@H]2CCC[N@@H+]2C)cc1 ZINC000183678972 432316498 /nfs/dbraw/zinc/31/64/98/432316498.db2.gz IYMJLZGOHQDDRU-MAUKXSAKSA-N 1 3 312.461 3.316 10 0 DGAEHO Cc1nccn1-c1ccc([C@H](C)NCC[C@H]2CCC[N@H+]2C)cc1 ZINC000183678972 432316502 /nfs/dbraw/zinc/31/65/02/432316502.db2.gz IYMJLZGOHQDDRU-MAUKXSAKSA-N 1 3 312.461 3.316 10 0 DGAEHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000183678972 432316506 /nfs/dbraw/zinc/31/65/06/432316506.db2.gz IYMJLZGOHQDDRU-MAUKXSAKSA-N 1 3 312.461 3.316 10 0 DGAEHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696293 432386098 /nfs/dbraw/zinc/38/60/98/432386098.db2.gz XQNAFDITASVHKZ-CRAIPNDOSA-N 1 3 306.425 3.011 10 0 DGAEHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696293 432386103 /nfs/dbraw/zinc/38/61/03/432386103.db2.gz XQNAFDITASVHKZ-CRAIPNDOSA-N 1 3 306.425 3.011 10 0 DGAEHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696293 432386106 /nfs/dbraw/zinc/38/61/06/432386106.db2.gz XQNAFDITASVHKZ-CRAIPNDOSA-N 1 3 306.425 3.011 10 0 DGAEHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696293 432386110 /nfs/dbraw/zinc/38/61/10/432386110.db2.gz XQNAFDITASVHKZ-CRAIPNDOSA-N 1 3 306.425 3.011 10 0 DGAEHO COc1cccc([C@@H](C)[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)c1 ZINC000261773841 432448398 /nfs/dbraw/zinc/44/83/98/432448398.db2.gz OZDGNMHFLUJPJV-ZTNFWEORSA-N 1 3 310.441 3.431 10 0 DGAEHO COc1cccc([C@@H](C)[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)c1 ZINC000261773841 432448401 /nfs/dbraw/zinc/44/84/01/432448401.db2.gz OZDGNMHFLUJPJV-ZTNFWEORSA-N 1 3 310.441 3.431 10 0 DGAEHO COc1cccc([C@@H](C)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261773841 432448404 /nfs/dbraw/zinc/44/84/04/432448404.db2.gz OZDGNMHFLUJPJV-ZTNFWEORSA-N 1 3 310.441 3.431 10 0 DGAEHO C[C@]1(CN2CCC(Cc3ccc(F)c(F)c3)CC2)CC[NH2+]C1 ZINC000261956024 432464038 /nfs/dbraw/zinc/46/40/38/432464038.db2.gz GQIQKIYVTIUNFS-SFHVURJKSA-N 1 3 308.416 3.219 10 0 DGAEHO O[C@@H](C[C@H]1CCC[N@@H+]1CCCN1CCCC1)c1cccs1 ZINC000163230809 432846413 /nfs/dbraw/zinc/84/64/13/432846413.db2.gz PRDWFIOOGYPJRX-CVEARBPZSA-N 1 3 308.491 3.122 10 0 DGAEHO O[C@@H](C[C@H]1CCC[N@H+]1CCCN1CCCC1)c1cccs1 ZINC000163230809 432846416 /nfs/dbraw/zinc/84/64/16/432846416.db2.gz PRDWFIOOGYPJRX-CVEARBPZSA-N 1 3 308.491 3.122 10 0 DGAEHO CN1CCC(C[NH2+][C@H]2CCC23CCCC3)(N2CCCCC2)CC1 ZINC000189138161 289880093 /nfs/dbraw/zinc/88/00/93/289880093.db2.gz YIRBSYPCYIYYJT-SFHVURJKSA-N 1 3 319.537 3.249 10 0 DGAEHO Cc1cc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)on1 ZINC000376068047 433654862 /nfs/dbraw/zinc/65/48/62/433654862.db2.gz OEGRVAJTFVUQLM-FUHWJXTLSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000376068047 433654870 /nfs/dbraw/zinc/65/48/70/433654870.db2.gz OEGRVAJTFVUQLM-FUHWJXTLSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000376068047 433654879 /nfs/dbraw/zinc/65/48/79/433654879.db2.gz OEGRVAJTFVUQLM-FUHWJXTLSA-N 1 3 313.445 3.026 10 0 DGAEHO c1sc(CNCC[C@H]2CCC[NH2+]C2)nc1-c1ccccc1 ZINC000414854651 433884924 /nfs/dbraw/zinc/88/49/24/433884924.db2.gz UOAAYMYVJXJNHV-CQSZACIVSA-N 1 3 301.459 3.289 10 0 DGAEHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000397581827 293846707 /nfs/dbraw/zinc/84/67/07/293846707.db2.gz GNWIMEAWUDMCEY-LJQANCHMSA-N 1 3 316.489 3.182 10 0 DGAEHO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000310020183 434107443 /nfs/dbraw/zinc/10/74/43/434107443.db2.gz RCGMBUOICCCLGN-MOPGFXCFSA-N 1 3 318.505 3.285 10 0 DGAEHO CC(C)(C)[C@@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310020183 434107455 /nfs/dbraw/zinc/10/74/55/434107455.db2.gz RCGMBUOICCCLGN-MOPGFXCFSA-N 1 3 318.505 3.285 10 0 DGAEHO CC(C)(C)[C@@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310020183 434107465 /nfs/dbraw/zinc/10/74/65/434107465.db2.gz RCGMBUOICCCLGN-MOPGFXCFSA-N 1 3 318.505 3.285 10 0 DGAEHO COCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000363810828 434155212 /nfs/dbraw/zinc/15/52/12/434155212.db2.gz CGKLHWFYWOAMSG-IJXRJRJASA-N 1 3 316.489 3.302 10 0 DGAEHO Cc1cccnc1CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295068211 434176289 /nfs/dbraw/zinc/17/62/89/434176289.db2.gz QUVMALBYGHDKTJ-QUCCMNQESA-N 1 3 323.484 3.433 10 0 DGAEHO Cc1cccnc1CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295068211 434176300 /nfs/dbraw/zinc/17/63/00/434176300.db2.gz QUVMALBYGHDKTJ-QUCCMNQESA-N 1 3 323.484 3.433 10 0 DGAEHO Brc1ccc([C@H]([NH2+]C2CCNCC2)C2CC2)cc1 ZINC000423187107 434272868 /nfs/dbraw/zinc/27/28/68/434272868.db2.gz OZAWNTPZBCKZKQ-OAHLLOKOSA-N 1 3 309.251 3.242 10 0 DGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2=CCOCC2)C3)cc1 ZINC000453284410 434849499 /nfs/dbraw/zinc/84/94/99/434849499.db2.gz INBJYKLSHODIAD-ACDBMABISA-N 1 3 312.457 3.118 10 0 DGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2=CCOCC2)C3)cc1 ZINC000453284410 434849501 /nfs/dbraw/zinc/84/95/01/434849501.db2.gz INBJYKLSHODIAD-ACDBMABISA-N 1 3 312.457 3.118 10 0 DGAEHO CC1=CCN(CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000545864722 314271301 /nfs/dbraw/zinc/27/13/01/314271301.db2.gz JBDIOILRHBVILK-UYAOXDASSA-N 1 3 319.537 3.271 10 0 DGAEHO Cc1ccc2[nH+]ccc(NCCCN3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000302174963 534523414 /nfs/dbraw/zinc/52/34/14/534523414.db2.gz WQMZQJXOJUIPGN-HOTGVXAUSA-N 1 3 313.445 3.454 10 0 DGAEHO CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716623649 661225230 /nfs/dbraw/zinc/22/52/30/661225230.db2.gz BWJXZJNBEYEDSF-VYJAJWGXSA-N 1 3 314.473 3.054 10 0 DGAEHO CS[C@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716625111 661225261 /nfs/dbraw/zinc/22/52/61/661225261.db2.gz LQKXOSOUPHKSBY-UBDQQSCGSA-N 1 3 304.503 3.381 10 0 DGAEHO CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CO1 ZINC000716672112 661226196 /nfs/dbraw/zinc/22/61/96/661226196.db2.gz SVUNJPORNQMALJ-MANSERQUSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOC1 ZINC000716682205 661227589 /nfs/dbraw/zinc/22/75/89/661227589.db2.gz NXUNVYDNFNBCAA-ZGXWSNOMSA-N 1 3 314.473 3.056 10 0 DGAEHO CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)(C)O ZINC000716703078 661227640 /nfs/dbraw/zinc/22/76/40/661227640.db2.gz WZKVZLKBSLBGQJ-VJANTYMQSA-N 1 3 316.489 3.179 10 0 DGAEHO CC(C)(C)[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716712044 661227696 /nfs/dbraw/zinc/22/76/96/661227696.db2.gz KJEABTJIXPIWLS-ZSYWTGECSA-N 1 3 316.489 3.036 10 0 DGAEHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@H]([NH2+]C[C@H]2CCC=CO2)C3)cc1 ZINC000716716221 661227748 /nfs/dbraw/zinc/22/77/48/661227748.db2.gz GGJPZBSRGDDZJB-ZGXWSNOMSA-N 1 3 312.457 3.322 10 0 DGAEHO CC(C)(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716712043 661227787 /nfs/dbraw/zinc/22/77/87/661227787.db2.gz KJEABTJIXPIWLS-VJANTYMQSA-N 1 3 316.489 3.036 10 0 DGAEHO COC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000716730490 661228213 /nfs/dbraw/zinc/22/82/13/661228213.db2.gz XEBISAJKUVSWPS-OTWHNJEPSA-N 1 3 314.473 3.198 10 0 DGAEHO C[C@@H]1C[C@@H](NCCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000719847145 662298110 /nfs/dbraw/zinc/29/81/10/662298110.db2.gz AWVFGFULLHRREQ-WBVHZDCISA-N 1 3 315.486 3.328 10 0 DGAEHO C[C@@H]1C[C@@H](NCCc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000719847145 662298112 /nfs/dbraw/zinc/29/81/12/662298112.db2.gz AWVFGFULLHRREQ-WBVHZDCISA-N 1 3 315.486 3.328 10 0 DGAEHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405234019 1094311651 /nfs/dbraw/zinc/31/16/51/1094311651.db2.gz CMOGPNKZWIKRPE-UGFHNGPFSA-N 1 3 323.278 3.240 10 0 DGAEHO Fc1ccc(SCCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199805 545705359 /nfs/dbraw/zinc/70/53/59/545705359.db2.gz LNFSWMHOOPNIHH-QGZVFWFLSA-N 1 3 308.466 3.382 10 0 DGAEHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000189912005 432104717 /nfs/dbraw/zinc/10/47/17/432104717.db2.gz BERZHEMPHXRTEM-QGZVFWFLSA-N 1 3 312.461 3.399 10 0 DGAEHO C[C@@H](NCCC[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000189912005 432104721 /nfs/dbraw/zinc/10/47/21/432104721.db2.gz BERZHEMPHXRTEM-QGZVFWFLSA-N 1 3 312.461 3.399 10 0 DGAEHO CCOc1cc(CN2CCC(C[NH+](CC)CC)CC2)ccc1O ZINC000459300435 243322783 /nfs/dbraw/zinc/32/27/83/243322783.db2.gz LPZOFSYKIMMGSU-UHFFFAOYSA-N 1 3 320.477 3.345 10 0 DGAEHO C1CCC(N2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)C1 ZINC000127048828 284325605 /nfs/dbraw/zinc/32/56/05/284325605.db2.gz ZPJSSABECWXLEY-QGZVFWFLSA-N 1 3 306.494 3.475 10 0 DGAEHO COc1ccccc1C[C@@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000246578813 432144940 /nfs/dbraw/zinc/14/49/40/432144940.db2.gz CMZMLLFRUTXASK-MSOLQXFVSA-N 1 3 302.462 3.186 10 0 DGAEHO COc1ccccc1C[C@@H]1CCCN1CC[C@H]1CCC[N@H+]1C ZINC000246578813 432144944 /nfs/dbraw/zinc/14/49/44/432144944.db2.gz CMZMLLFRUTXASK-MSOLQXFVSA-N 1 3 302.462 3.186 10 0 DGAEHO Cc1ccc2c(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn(C)c2c1 ZINC000249171803 285061611 /nfs/dbraw/zinc/06/16/11/285061611.db2.gz BWYAJDOXHSTMKN-MSOLQXFVSA-N 1 3 311.473 3.246 10 0 DGAEHO Cc1ccc2c(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cn(C)c2c1 ZINC000249171803 285061614 /nfs/dbraw/zinc/06/16/14/285061614.db2.gz BWYAJDOXHSTMKN-MSOLQXFVSA-N 1 3 311.473 3.246 10 0 DGAEHO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c2c(c1)CNCC2 ZINC000635010843 401402992 /nfs/dbraw/zinc/40/29/92/401402992.db2.gz NIZVSFWQGTWWCP-YSIASYRMSA-N 1 3 314.473 3.017 10 0 DGAEHO C[C@H](N[C@@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019568 401405575 /nfs/dbraw/zinc/40/55/75/401405575.db2.gz IACUKVVVLVAFIN-YSIASYRMSA-N 1 3 315.505 3.019 10 0 DGAEHO Cc1nc(C)c(CNCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628209271 401550549 /nfs/dbraw/zinc/55/05/49/401550549.db2.gz WWWZSUVMGZWLAQ-UHFFFAOYSA-N 1 3 313.445 3.293 10 0 DGAEHO CN(C)CCN1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000150982438 432208787 /nfs/dbraw/zinc/20/87/87/432208787.db2.gz PHXWQNWEIQKCRL-QZTJIDSGSA-N 1 3 309.542 3.207 10 0 DGAEHO Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368058311 271127139 /nfs/dbraw/zinc/12/71/39/271127139.db2.gz HKKCWHIQBTUOKM-PXNSSMCTSA-N 1 3 309.457 3.390 10 0 DGAEHO Fc1cccc(OCCN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047972654 431917350 /nfs/dbraw/zinc/91/73/50/431917350.db2.gz YXCNCNHEPHZKBF-UHFFFAOYSA-N 1 3 306.425 3.012 10 0 DGAEHO Cc1nc(C)c([C@H](C)NCc2cccc3c2CC[NH2+]C3)s1 ZINC000123932903 431878867 /nfs/dbraw/zinc/87/88/67/431878867.db2.gz NMMOUWMLQVQMGR-NSHDSACASA-N 1 3 301.459 3.256 10 0 DGAEHO CN1CCC[C@@H]2C[N@H+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144516 432271890 /nfs/dbraw/zinc/27/18/90/432271890.db2.gz QAHMGDXZTVVXFE-WOJBJXKFSA-N 1 3 316.489 3.052 10 0 DGAEHO CN1CCC[C@@H]2C[N@@H+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144516 432271891 /nfs/dbraw/zinc/27/18/91/432271891.db2.gz QAHMGDXZTVVXFE-WOJBJXKFSA-N 1 3 316.489 3.052 10 0 DGAEHO Cc1cc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc(C)c1O ZINC000191574322 432280024 /nfs/dbraw/zinc/28/00/24/432280024.db2.gz DDSLOLLDPLDRIV-UHFFFAOYSA-N 1 3 304.478 3.404 10 0 DGAEHO Cc1cc(CCNC2CC[NH+](C(C)(C)C)CC2)cc(C)c1O ZINC000191574322 432280029 /nfs/dbraw/zinc/28/00/29/432280029.db2.gz DDSLOLLDPLDRIV-UHFFFAOYSA-N 1 3 304.478 3.404 10 0 DGAEHO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(C[C@H]2CCCCN2C)CC1 ZINC000249095575 432338293 /nfs/dbraw/zinc/33/82/93/432338293.db2.gz OFGLVCMSRITILX-XUVXKRRUSA-N 1 3 319.537 3.081 10 0 DGAEHO CC1=CCC[C@H](C)[C@@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000249095575 432338295 /nfs/dbraw/zinc/33/82/95/432338295.db2.gz OFGLVCMSRITILX-XUVXKRRUSA-N 1 3 319.537 3.081 10 0 DGAEHO CC1=CCC[C@H](C)[C@@H]1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000249095575 432338300 /nfs/dbraw/zinc/33/83/00/432338300.db2.gz OFGLVCMSRITILX-XUVXKRRUSA-N 1 3 319.537 3.081 10 0 DGAEHO Cc1nccn1-c1ccc([C@@H](C)NCC[C@H]2CCC[N@@H+]2C)cc1 ZINC000183678955 432315735 /nfs/dbraw/zinc/31/57/35/432315735.db2.gz IYMJLZGOHQDDRU-CRAIPNDOSA-N 1 3 312.461 3.316 10 0 DGAEHO Cc1nccn1-c1ccc([C@@H](C)NCC[C@H]2CCC[N@H+]2C)cc1 ZINC000183678955 432315737 /nfs/dbraw/zinc/31/57/37/432315737.db2.gz IYMJLZGOHQDDRU-CRAIPNDOSA-N 1 3 312.461 3.316 10 0 DGAEHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000183678955 432315740 /nfs/dbraw/zinc/31/57/40/432315740.db2.gz IYMJLZGOHQDDRU-CRAIPNDOSA-N 1 3 312.461 3.316 10 0 DGAEHO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CCN1C ZINC000152946844 432370117 /nfs/dbraw/zinc/37/01/17/432370117.db2.gz CRIIPUGUZWVNBL-HOJAQTOUSA-N 1 3 315.505 3.113 10 0 DGAEHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccnn1C ZINC000192852055 432421993 /nfs/dbraw/zinc/42/19/93/432421993.db2.gz MJJNMVYPVNYRDG-BPIHKTFHSA-N 1 3 324.472 3.266 10 0 DGAEHO Cn1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000272503173 432514893 /nfs/dbraw/zinc/51/48/93/432514893.db2.gz FBJMVMXNXSFMAM-XUVXKRRUSA-N 1 3 309.457 3.025 10 0 DGAEHO Cn1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000272503173 432514899 /nfs/dbraw/zinc/51/48/99/432514899.db2.gz FBJMVMXNXSFMAM-XUVXKRRUSA-N 1 3 309.457 3.025 10 0 DGAEHO Cn1ccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000272503173 432514903 /nfs/dbraw/zinc/51/49/03/432514903.db2.gz FBJMVMXNXSFMAM-XUVXKRRUSA-N 1 3 309.457 3.025 10 0 DGAEHO CCC[NH+]1CCC(CNCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194292800 432538390 /nfs/dbraw/zinc/53/83/90/432538390.db2.gz SGFDTBZSHPUANY-UHFFFAOYSA-N 1 3 312.461 3.288 10 0 DGAEHO COc1ccc(C[C@H](C)C[NH+]2CCC(N(C)C)CC2)cc1F ZINC000186627527 432615127 /nfs/dbraw/zinc/61/51/27/432615127.db2.gz MKJXSXLIYOPIDX-AWEZNQCLSA-N 1 3 308.441 3.039 10 0 DGAEHO CCc1csc([C@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163007450 432840519 /nfs/dbraw/zinc/84/05/19/432840519.db2.gz DKWNPYYMFBIFFH-HOCLYGCPSA-N 1 3 307.507 3.369 10 0 DGAEHO CCc1csc([C@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163007450 432840522 /nfs/dbraw/zinc/84/05/22/432840522.db2.gz DKWNPYYMFBIFFH-HOCLYGCPSA-N 1 3 307.507 3.369 10 0 DGAEHO c1cc(-c2nc(CNCC[C@@H]3CCC[NH2+]C3)cs2)cs1 ZINC000414853238 433883207 /nfs/dbraw/zinc/88/32/07/433883207.db2.gz RJUJPDBOCGQQAH-LBPRGKRZSA-N 1 3 307.488 3.351 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CS1 ZINC000309772484 434094285 /nfs/dbraw/zinc/09/42/85/434094285.db2.gz HXTAFPXZNZGROP-GYFISPQKSA-N 1 3 316.514 3.381 10 0 DGAEHO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000378955778 434253038 /nfs/dbraw/zinc/25/30/38/434253038.db2.gz LUSQIHNHCNTKEI-XUVXKRRUSA-N 1 3 316.489 3.182 10 0 DGAEHO [NH3+]C1CCC(NCc2cccc(Br)c2Cl)CC1 ZINC000423165617 434258023 /nfs/dbraw/zinc/25/80/23/434258023.db2.gz BHDDSROYSRHUTF-UHFFFAOYSA-N 1 3 317.658 3.462 10 0 DGAEHO COC[C@@H](C)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000390769543 434365741 /nfs/dbraw/zinc/36/57/41/434365741.db2.gz KGQSMCKPVYOEEH-PKOBYXMFSA-N 1 3 304.478 3.161 10 0 DGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287499931 434376953 /nfs/dbraw/zinc/37/69/53/434376953.db2.gz YKVQUBYFYHRWHX-VNTMZGSJSA-N 1 3 314.473 3.056 10 0 DGAEHO CC[C@H](C)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397484339 434436632 /nfs/dbraw/zinc/43/66/32/434436632.db2.gz ADSAIVQOXOZBHE-IRXDYDNUSA-N 1 3 304.478 3.038 10 0 DGAEHO CCCN(CC)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000484472060 435546534 /nfs/dbraw/zinc/54/65/34/435546534.db2.gz JPMNKJMZXBTDQY-QUCCMNQESA-N 1 3 317.521 3.219 10 0 DGAEHO NCCC[NH2+]CCCCNc1ccnc2cc(Cl)ccc21 ZINC000584615011 337372798 /nfs/dbraw/zinc/37/27/98/337372798.db2.gz GCYFXSLAYPRTHW-UHFFFAOYSA-N 1 3 306.841 3.019 10 0 DGAEHO COc1ccccc1CC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000083877900 545781282 /nfs/dbraw/zinc/78/12/82/545781282.db2.gz KMIZQHYHYLHHCR-LJQANCHMSA-N 1 3 316.489 3.434 10 0 DGAEHO COc1ccccc1CC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000083877900 545781288 /nfs/dbraw/zinc/78/12/88/545781288.db2.gz KMIZQHYHYLHHCR-LJQANCHMSA-N 1 3 316.489 3.434 10 0 DGAEHO Cn1cccc1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272618538 546357310 /nfs/dbraw/zinc/35/73/10/546357310.db2.gz XQIBWNOYTLKVRN-DFQSSKMNSA-N 1 3 309.457 3.025 10 0 DGAEHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000336716399 546517369 /nfs/dbraw/zinc/51/73/69/546517369.db2.gz PFHFPKBYVDPLII-RTBURBONSA-N 1 3 302.462 3.057 10 0 DGAEHO c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H]3CCCOC3)C2)cc1 ZINC000336716399 546517374 /nfs/dbraw/zinc/51/73/74/546517374.db2.gz PFHFPKBYVDPLII-RTBURBONSA-N 1 3 302.462 3.057 10 0 DGAEHO c1ccc(C[N@@H+]2CCCC[C@H](CN[C@@H]3CCCOC3)C2)cc1 ZINC000336716399 546517380 /nfs/dbraw/zinc/51/73/80/546517380.db2.gz PFHFPKBYVDPLII-RTBURBONSA-N 1 3 302.462 3.057 10 0 DGAEHO CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716621552 661225027 /nfs/dbraw/zinc/22/50/27/661225027.db2.gz RFSAKFAPZRNIRJ-YRPNKDGESA-N 1 3 316.489 3.036 10 0 DGAEHO CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620028 661225179 /nfs/dbraw/zinc/22/51/79/661225179.db2.gz KHUXOTOWHXLXQM-YRPNKDGESA-N 1 3 316.489 3.036 10 0 DGAEHO CSCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623596 661225185 /nfs/dbraw/zinc/22/51/85/661225185.db2.gz BKOXGWFMNZWENL-BZSNNMDCSA-N 1 3 304.503 3.382 10 0 DGAEHO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716663552 661225932 /nfs/dbraw/zinc/22/59/32/661225932.db2.gz SQWVLMYXPVXJIG-PXTPFGJHSA-N 1 3 314.473 3.197 10 0 DGAEHO CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716641233 661226037 /nfs/dbraw/zinc/22/60/37/661226037.db2.gz YDVCTEKCQJJZTQ-JUSBFGHESA-N 1 3 316.489 3.179 10 0 DGAEHO CCC[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716695829 661227583 /nfs/dbraw/zinc/22/75/83/661227583.db2.gz YJRJNFMORYOOSY-YRPNKDGESA-N 1 3 316.489 3.444 10 0 DGAEHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@H]([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000716716217 661227628 /nfs/dbraw/zinc/22/76/28/661227628.db2.gz GGJPZBSRGDDZJB-YRPNKDGESA-N 1 3 312.457 3.322 10 0 DGAEHO CC[C@](C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716728275 661227918 /nfs/dbraw/zinc/22/79/18/661227918.db2.gz OEVDDOZSZCXEOY-LWYYNNOASA-N 1 3 316.489 3.444 10 0 DGAEHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H]1CCOC1 ZINC000716734800 661228064 /nfs/dbraw/zinc/22/80/64/661228064.db2.gz WLFGDTWMGMXBOG-XCZFOBESSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@H](COCc1ccccc1)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719512105 662291291 /nfs/dbraw/zinc/29/12/91/662291291.db2.gz XHPASWPKCIGXBE-UBLGTCEWSA-N 1 3 302.462 3.054 10 0 DGAEHO Cc1n[nH]c(C)c1C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000379649837 1197704260 /nfs/dbraw/zinc/70/42/60/1197704260.db2.gz PWVJISFBUDLASH-AWEZNQCLSA-N 1 3 300.450 3.027 10 0 DGAEHO C[C@@H]1C[C@H](NCCc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000179454917 432059250 /nfs/dbraw/zinc/05/92/50/432059250.db2.gz NOVYGLISCXYFGQ-CZUORRHYSA-N 1 3 317.408 3.096 10 0 DGAEHO C[C@@H]1C[C@H](NCCc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000179454917 432059251 /nfs/dbraw/zinc/05/92/51/432059251.db2.gz NOVYGLISCXYFGQ-CZUORRHYSA-N 1 3 317.408 3.096 10 0 DGAEHO c1ccc(OCCCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415039651 237026933 /nfs/dbraw/zinc/02/69/33/237026933.db2.gz JJVPGESMQNLCNU-HKUYNNGSSA-N 1 3 302.462 3.310 10 0 DGAEHO C[NH+](C)CCCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435123660 238274937 /nfs/dbraw/zinc/27/49/37/238274937.db2.gz IHCMNLKGTVIFTA-UHFFFAOYSA-N 1 3 316.449 3.224 10 0 DGAEHO CN1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000128477688 284376714 /nfs/dbraw/zinc/37/67/14/284376714.db2.gz NFWOVUFGMQESQH-QZTJIDSGSA-N 1 3 309.542 3.209 10 0 DGAEHO CN(C)CCN1CCC([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000150982340 284544641 /nfs/dbraw/zinc/54/46/41/284544641.db2.gz PHXWQNWEIQKCRL-MSOLQXFVSA-N 1 3 309.542 3.207 10 0 DGAEHO NCC[N@H+](Cc1ccc(F)c(Br)c1)C1CCCC1 ZINC000042428411 183269251 /nfs/dbraw/zinc/26/92/51/183269251.db2.gz HXNITHJVLJTWDD-UHFFFAOYSA-N 1 3 315.230 3.292 10 0 DGAEHO NCC[N@@H+](Cc1ccc(F)c(Br)c1)C1CCCC1 ZINC000042428411 183269253 /nfs/dbraw/zinc/26/92/53/183269253.db2.gz HXNITHJVLJTWDD-UHFFFAOYSA-N 1 3 315.230 3.292 10 0 DGAEHO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c2c(c1)CNCC2 ZINC000635009750 401401994 /nfs/dbraw/zinc/40/19/94/401401994.db2.gz KHOYKKCAMCZPTM-AYOQOUSVSA-N 1 3 314.473 3.017 10 0 DGAEHO C[C@H](N[C@@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019559 401405343 /nfs/dbraw/zinc/40/53/43/401405343.db2.gz IACUKVVVLVAFIN-DFQSSKMNSA-N 1 3 315.505 3.019 10 0 DGAEHO CN1CCCC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000624124056 401629736 /nfs/dbraw/zinc/62/97/36/401629736.db2.gz WBKRMBXWPREVPW-VIQWUECVSA-N 1 3 302.462 3.056 10 0 DGAEHO COc1cccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000247116499 432203309 /nfs/dbraw/zinc/20/33/09/432203309.db2.gz AHNJBQMXZAOIIB-PKOBYXMFSA-N 1 3 302.462 3.044 10 0 DGAEHO COc1cccc(CCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000247116499 432203314 /nfs/dbraw/zinc/20/33/14/432203314.db2.gz AHNJBQMXZAOIIB-PKOBYXMFSA-N 1 3 302.462 3.044 10 0 DGAEHO COc1cccc(CCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247116499 432203316 /nfs/dbraw/zinc/20/33/16/432203316.db2.gz AHNJBQMXZAOIIB-PKOBYXMFSA-N 1 3 302.462 3.044 10 0 DGAEHO COc1cccc(CCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247116499 432203319 /nfs/dbraw/zinc/20/33/19/432203319.db2.gz AHNJBQMXZAOIIB-PKOBYXMFSA-N 1 3 302.462 3.044 10 0 DGAEHO CN(c1ccccc1C[NH2+]CC1(C)CCC1)C1CCN(C)CC1 ZINC000151092303 432217606 /nfs/dbraw/zinc/21/76/06/432217606.db2.gz ZDYZQOZDNSFCCG-UHFFFAOYSA-N 1 3 315.505 3.497 10 0 DGAEHO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(C[C@@H]2CCCCN2C)CC1 ZINC000191066778 432218183 /nfs/dbraw/zinc/21/81/83/432218183.db2.gz OFGLVCMSRITILX-SLFFLAALSA-N 1 3 319.537 3.081 10 0 DGAEHO CC1=CCC[C@H](C)[C@@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000191066778 432218188 /nfs/dbraw/zinc/21/81/88/432218188.db2.gz OFGLVCMSRITILX-SLFFLAALSA-N 1 3 319.537 3.081 10 0 DGAEHO CC1=CCC[C@H](C)[C@@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000191066778 432218194 /nfs/dbraw/zinc/21/81/94/432218194.db2.gz OFGLVCMSRITILX-SLFFLAALSA-N 1 3 319.537 3.081 10 0 DGAEHO CC[C@](C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)OC ZINC000319950274 263899595 /nfs/dbraw/zinc/89/95/95/263899595.db2.gz VDQOAVIHXRUDHI-VNTMZGSJSA-N 1 3 316.489 3.302 10 0 DGAEHO O[C@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000047972401 275056602 /nfs/dbraw/zinc/05/66/02/275056602.db2.gz BKCRGZBEIGEVQO-GOSISDBHSA-N 1 3 322.880 3.181 10 0 DGAEHO CN(C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245951871 276812085 /nfs/dbraw/zinc/81/20/85/276812085.db2.gz WNTNBFGOBYPPPO-KZNAEPCWSA-N 1 3 302.462 3.041 10 0 DGAEHO CSc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248065997 432267396 /nfs/dbraw/zinc/26/73/96/432267396.db2.gz MGBAXVPAMABZCH-MAUKXSAKSA-N 1 3 320.502 3.203 10 0 DGAEHO CSc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248065997 432267400 /nfs/dbraw/zinc/26/74/00/432267400.db2.gz MGBAXVPAMABZCH-MAUKXSAKSA-N 1 3 320.502 3.203 10 0 DGAEHO C[C@@]1(CN2CCC(Cc3ccc(F)c(F)c3)CC2)CC[NH2+]C1 ZINC000261956023 432462981 /nfs/dbraw/zinc/46/29/81/432462981.db2.gz GQIQKIYVTIUNFS-GOSISDBHSA-N 1 3 308.416 3.219 10 0 DGAEHO Cn1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000272503163 432514594 /nfs/dbraw/zinc/51/45/94/432514594.db2.gz FBJMVMXNXSFMAM-HSALFYBXSA-N 1 3 309.457 3.025 10 0 DGAEHO Cn1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000272503163 432514597 /nfs/dbraw/zinc/51/45/97/432514597.db2.gz FBJMVMXNXSFMAM-HSALFYBXSA-N 1 3 309.457 3.025 10 0 DGAEHO Cn1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c1 ZINC000272503163 432514598 /nfs/dbraw/zinc/51/45/98/432514598.db2.gz FBJMVMXNXSFMAM-HSALFYBXSA-N 1 3 309.457 3.025 10 0 DGAEHO COC[C@H](CCC[NH3+])N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000234807949 432739600 /nfs/dbraw/zinc/73/96/00/432739600.db2.gz OSFGVOGMOKFIHA-GXTWGEPZSA-N 1 3 314.882 3.220 10 0 DGAEHO c1ccc2[nH]c(C3CC[NH+](CCCN4CCCC4)CC3)nc2c1 ZINC000162722586 432832075 /nfs/dbraw/zinc/83/20/75/432832075.db2.gz ZKHFQIGCBHOWSE-UHFFFAOYSA-N 1 3 312.461 3.228 10 0 DGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440370 432832404 /nfs/dbraw/zinc/83/24/04/432832404.db2.gz UMMBGKWFQUKXEG-LPHOPBHVSA-N 1 3 312.461 3.034 10 0 DGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440370 432832409 /nfs/dbraw/zinc/83/24/09/432832409.db2.gz UMMBGKWFQUKXEG-LPHOPBHVSA-N 1 3 312.461 3.034 10 0 DGAEHO c1ccc(OCC2CC2)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000446915967 433129040 /nfs/dbraw/zinc/12/90/40/433129040.db2.gz ZCLPEUFSHRQXBW-UHFFFAOYSA-N 1 3 314.473 3.439 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)O2)cc1 ZINC000377579099 433918540 /nfs/dbraw/zinc/91/85/40/433918540.db2.gz HYGCPDAWXKRZAD-FCGDIQPGSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)O2)cc1 ZINC000377579099 433918548 /nfs/dbraw/zinc/91/85/48/433918548.db2.gz HYGCPDAWXKRZAD-FCGDIQPGSA-N 1 3 300.446 3.123 10 0 DGAEHO CC(C)C1CC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397492240 293846075 /nfs/dbraw/zinc/84/60/75/293846075.db2.gz AGOFPPDSEHDLSB-UHFFFAOYSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397715509 293847621 /nfs/dbraw/zinc/84/76/21/293847621.db2.gz QLEXYDFVXLWNPI-WMZOPIPTSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@H](NCCc1cccc(OCc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400511111 293864783 /nfs/dbraw/zinc/86/47/83/293864783.db2.gz JHIJDKBZDJUPGO-PXNSSMCTSA-N 1 3 324.468 3.396 10 0 DGAEHO c1ccc(COCCC2(C[NH2+][C@@H]3CCCNCC3)CC2)cc1 ZINC000423051314 434190762 /nfs/dbraw/zinc/19/07/62/434190762.db2.gz NBOPFXKOEPXFRC-GOSISDBHSA-N 1 3 302.462 3.105 10 0 DGAEHO Brc1ccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423207044 434283818 /nfs/dbraw/zinc/28/38/18/434283818.db2.gz GKXBAEHIXXEQKJ-MLGOLLRUSA-N 1 3 323.278 3.489 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[C@H](C)O1 ZINC000384934321 434294169 /nfs/dbraw/zinc/29/41/69/434294169.db2.gz QICCZKJMAQRDNP-YSDUZXLGSA-N 1 3 314.473 3.053 10 0 DGAEHO C[C@@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000390690434 434368428 /nfs/dbraw/zinc/36/84/28/434368428.db2.gz PJHHWVHGDFEGAB-MNIJEXPFSA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000390690434 434368432 /nfs/dbraw/zinc/36/84/32/434368432.db2.gz PJHHWVHGDFEGAB-MNIJEXPFSA-N 1 3 314.473 3.339 10 0 DGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287499926 434377356 /nfs/dbraw/zinc/37/73/56/434377356.db2.gz YKVQUBYFYHRWHX-LWYYNNOASA-N 1 3 314.473 3.056 10 0 DGAEHO C[C@H](NCCc1ccc(OCc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000400433797 434484996 /nfs/dbraw/zinc/48/49/96/434484996.db2.gz CNLLVFHQGQPFRW-PXNSSMCTSA-N 1 3 324.468 3.396 10 0 DGAEHO C[C@H](NCCc1cccc(OCc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400511109 434485713 /nfs/dbraw/zinc/48/57/13/434485713.db2.gz JHIJDKBZDJUPGO-FXAWDEMLSA-N 1 3 324.468 3.396 10 0 DGAEHO CC1CCC(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000182570476 323305192 /nfs/dbraw/zinc/30/51/92/323305192.db2.gz PHEHCQWXVPDUKL-PFNPZRIDSA-N 1 3 319.537 3.056 10 0 DGAEHO CC1CCC(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000182570476 323305194 /nfs/dbraw/zinc/30/51/94/323305194.db2.gz PHEHCQWXVPDUKL-PFNPZRIDSA-N 1 3 319.537 3.056 10 0 DGAEHO c1cc2c(cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1)CNCC2 ZINC000584355561 336090682 /nfs/dbraw/zinc/09/06/82/336090682.db2.gz BMRRTLPTGVNLKO-HXUWFJFHSA-N 1 3 314.473 3.256 10 0 DGAEHO c1cc2c(cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1)CNCC2 ZINC000584355561 336090684 /nfs/dbraw/zinc/09/06/84/336090684.db2.gz BMRRTLPTGVNLKO-HXUWFJFHSA-N 1 3 314.473 3.256 10 0 DGAEHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000336716386 546517473 /nfs/dbraw/zinc/51/74/73/546517473.db2.gz PFHFPKBYVDPLII-MOPGFXCFSA-N 1 3 302.462 3.057 10 0 DGAEHO c1ccc(C[N@H+]2CCCC[C@H](CN[C@H]3CCCOC3)C2)cc1 ZINC000336716386 546517477 /nfs/dbraw/zinc/51/74/77/546517477.db2.gz PFHFPKBYVDPLII-MOPGFXCFSA-N 1 3 302.462 3.057 10 0 DGAEHO c1ccc(C[N@@H+]2CCCC[C@H](CN[C@H]3CCCOC3)C2)cc1 ZINC000336716386 546517481 /nfs/dbraw/zinc/51/74/81/546517481.db2.gz PFHFPKBYVDPLII-MOPGFXCFSA-N 1 3 302.462 3.057 10 0 DGAEHO CS[C@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716625108 661224937 /nfs/dbraw/zinc/22/49/37/661224937.db2.gz LQKXOSOUPHKSBY-SPUZQDLCSA-N 1 3 304.503 3.381 10 0 DGAEHO CSC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624076 661225199 /nfs/dbraw/zinc/22/51/99/661225199.db2.gz DBHCXYKVJLMBJT-DKIMLUQUSA-N 1 3 304.503 3.381 10 0 DGAEHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000716662776 661226158 /nfs/dbraw/zinc/22/61/58/661226158.db2.gz PZMZIWLQRBSUQK-UVBQOVKKSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716683833 661227735 /nfs/dbraw/zinc/22/77/35/661227735.db2.gz SPNYNDCGCYCRSK-MTEHYEEQSA-N 1 3 314.473 3.197 10 0 DGAEHO COCc1cccc(CNCCC[N@H+](C)Cc2ccccc2)c1 ZINC000393442993 1197719543 /nfs/dbraw/zinc/71/95/43/1197719543.db2.gz XNGIWKKILBNRKL-UHFFFAOYSA-N 1 3 312.457 3.445 10 0 DGAEHO COCc1cccc(CNCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000393442993 1197719547 /nfs/dbraw/zinc/71/95/47/1197719547.db2.gz XNGIWKKILBNRKL-UHFFFAOYSA-N 1 3 312.457 3.445 10 0 DGAEHO Cn1cc(CN2CCC(C[NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000179685408 432067364 /nfs/dbraw/zinc/06/73/64/432067364.db2.gz QNCWSSBODVMWMA-UHFFFAOYSA-N 1 3 318.509 3.025 10 0 DGAEHO C[C@@H]1CCC[C@H](CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000246203384 432107634 /nfs/dbraw/zinc/10/76/34/432107634.db2.gz JJZMNZULLRGTNZ-VAMGGRTRSA-N 1 3 321.553 3.305 10 0 DGAEHO C[C@@H]1CCC[C@H](CCN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000246203384 432107636 /nfs/dbraw/zinc/10/76/36/432107636.db2.gz JJZMNZULLRGTNZ-VAMGGRTRSA-N 1 3 321.553 3.305 10 0 DGAEHO CN1CCC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000127456209 284340453 /nfs/dbraw/zinc/34/04/53/284340453.db2.gz WYOHXLHFOGXWMC-GFCCVEGCSA-N 1 3 315.230 3.020 10 0 DGAEHO CCSCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000393905883 400280001 /nfs/dbraw/zinc/28/00/01/400280001.db2.gz MJDLAJRUYWENCN-OKZBNKHCSA-N 1 3 304.503 3.240 10 0 DGAEHO c1ccc(C[NH+]2CCCCC2)c(CNCC2=CCCOC2)c1 ZINC000126300417 400491447 /nfs/dbraw/zinc/49/14/47/400491447.db2.gz ICZKUKMCGPYNCD-UHFFFAOYSA-N 1 3 300.446 3.109 10 0 DGAEHO c1cncc([C@@H](NCc2cccc3c2CC[NH2+]C3)C2CCC2)c1 ZINC000635006173 401400404 /nfs/dbraw/zinc/40/04/04/401400404.db2.gz BBUFJDIWAPATPY-FQEVSTJZSA-N 1 3 307.441 3.358 10 0 DGAEHO C[NH+](C)CC1CCC(NCc2ccc(Br)o2)CC1 ZINC000191463175 165251995 /nfs/dbraw/zinc/25/19/95/165251995.db2.gz JRFWBZXNGHVNDV-UHFFFAOYSA-N 1 3 315.255 3.252 10 0 DGAEHO Cc1ccc(-c2nc(CCN[C@H]3CC[N@H+](C)[C@@H](C)C3)co2)cc1 ZINC000246985784 432188681 /nfs/dbraw/zinc/18/86/81/432188681.db2.gz KHLPZSZBLOVKQU-RDJZCZTQSA-N 1 3 313.445 3.265 10 0 DGAEHO Cc1ccc(-c2nc(CCN[C@H]3CC[N@@H+](C)[C@@H](C)C3)co2)cc1 ZINC000246985784 432188686 /nfs/dbraw/zinc/18/86/86/432188686.db2.gz KHLPZSZBLOVKQU-RDJZCZTQSA-N 1 3 313.445 3.265 10 0 DGAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000247055201 432197709 /nfs/dbraw/zinc/19/77/09/432197709.db2.gz PEISWXRPFUEFHD-QYZOEREBSA-N 1 3 309.542 3.064 10 0 DGAEHO COc1c(C)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1C ZINC000247277563 432218535 /nfs/dbraw/zinc/21/85/35/432218535.db2.gz YKEQOSKHQQRXRW-ZWKOTPCHSA-N 1 3 302.462 3.228 10 0 DGAEHO COc1c(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1C ZINC000247277563 432218538 /nfs/dbraw/zinc/21/85/38/432218538.db2.gz YKEQOSKHQQRXRW-ZWKOTPCHSA-N 1 3 302.462 3.228 10 0 DGAEHO CC(C)CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261937032 277380953 /nfs/dbraw/zinc/38/09/53/277380953.db2.gz MGSBXBHOGLBZRZ-SJLPKXTDSA-N 1 3 301.478 3.417 10 0 DGAEHO CC(C)C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCCc2cccnc21 ZINC000261937032 277380954 /nfs/dbraw/zinc/38/09/54/277380954.db2.gz MGSBXBHOGLBZRZ-SJLPKXTDSA-N 1 3 301.478 3.417 10 0 DGAEHO CC(C)C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCCc2cccnc21 ZINC000261937032 277380956 /nfs/dbraw/zinc/38/09/56/277380956.db2.gz MGSBXBHOGLBZRZ-SJLPKXTDSA-N 1 3 301.478 3.417 10 0 DGAEHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC2CCCCCC2)CC1 ZINC000120039585 431721563 /nfs/dbraw/zinc/72/15/63/431721563.db2.gz KSWNUNTZHSCMPB-IBGZPJMESA-N 1 3 307.526 3.059 10 0 DGAEHO C[N@H+]1CCCC[C@H]1CN1CCN(CC2CCCCCC2)CC1 ZINC000120039585 431721568 /nfs/dbraw/zinc/72/15/68/431721568.db2.gz KSWNUNTZHSCMPB-IBGZPJMESA-N 1 3 307.526 3.059 10 0 DGAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427262 431865858 /nfs/dbraw/zinc/86/58/58/431865858.db2.gz DTZOSDSFEDEBGP-HZPDHXFCSA-N 1 3 302.418 3.037 10 0 DGAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427262 431865859 /nfs/dbraw/zinc/86/58/59/431865859.db2.gz DTZOSDSFEDEBGP-HZPDHXFCSA-N 1 3 302.418 3.037 10 0 DGAEHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000191495292 432270936 /nfs/dbraw/zinc/27/09/36/432270936.db2.gz WUEKHNNLFFRPIX-HXUWFJFHSA-N 1 3 319.537 3.225 10 0 DGAEHO CC(C)N1CCN(CCC[N@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000191495292 432270941 /nfs/dbraw/zinc/27/09/41/432270941.db2.gz WUEKHNNLFFRPIX-HXUWFJFHSA-N 1 3 319.537 3.225 10 0 DGAEHO Clc1ccc2[nH]c([C@@H]3CCCN3CC3CC[NH2+]CC3)nc2c1 ZINC000261825312 432451814 /nfs/dbraw/zinc/45/18/14/432451814.db2.gz IQUUTJUEPBKFPF-INIZCTEOSA-N 1 3 318.852 3.353 10 0 DGAEHO CC(C)CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261961770 432466374 /nfs/dbraw/zinc/46/63/74/432466374.db2.gz HJRUEQRFEFXMGV-IEBWSBKVSA-N 1 3 301.478 3.417 10 0 DGAEHO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(OCCN(C)C)c1 ZINC000187863761 432689356 /nfs/dbraw/zinc/68/93/56/432689356.db2.gz OWCXIUSARNJUOS-QAPCUYQASA-N 1 3 320.477 3.235 10 0 DGAEHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000234750359 432739955 /nfs/dbraw/zinc/73/99/55/432739955.db2.gz DKSLSHHDYBUZGZ-ZYHUDNBSSA-N 1 3 305.249 3.398 10 0 DGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445329 432831708 /nfs/dbraw/zinc/83/17/08/432831708.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 1 3 312.461 3.034 10 0 DGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445329 432831711 /nfs/dbraw/zinc/83/17/11/432831711.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 1 3 312.461 3.034 10 0 DGAEHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000154292423 292676361 /nfs/dbraw/zinc/67/63/61/292676361.db2.gz DGYIQSOOGNUSFL-MSOLQXFVSA-N 1 3 309.542 3.209 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446750071 433099559 /nfs/dbraw/zinc/09/95/59/433099559.db2.gz DQLMWAQJZGDELH-OALUTQOASA-N 1 3 304.478 3.159 10 0 DGAEHO C/C(=C\c1ccc(Cl)cc1)CNCCC[NH+]1CCC(O)CC1 ZINC000338143827 433278253 /nfs/dbraw/zinc/27/82/53/433278253.db2.gz RCNCEDWZVVBSID-FYWRMAATSA-N 1 3 322.880 3.180 10 0 DGAEHO Cc1cc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)on1 ZINC000376068044 433656561 /nfs/dbraw/zinc/65/65/61/433656561.db2.gz OEGRVAJTFVUQLM-AEFFLSMTSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000376068044 433656570 /nfs/dbraw/zinc/65/65/70/433656570.db2.gz OEGRVAJTFVUQLM-AEFFLSMTSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000376068044 433656576 /nfs/dbraw/zinc/65/65/76/433656576.db2.gz OEGRVAJTFVUQLM-AEFFLSMTSA-N 1 3 313.445 3.026 10 0 DGAEHO c1ccc(CN(CCCN[C@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000307139261 434085210 /nfs/dbraw/zinc/08/52/10/434085210.db2.gz CLEAKRONQFEGIU-NRFANRHFSA-N 1 3 323.484 3.030 10 0 DGAEHO CCN(CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360928775 434733710 /nfs/dbraw/zinc/73/37/10/434733710.db2.gz CBPVZUCBRQMHGT-ICSRJNTNSA-N 1 3 317.521 3.217 10 0 DGAEHO C[C@H](NCCOCC1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573407623 434895129 /nfs/dbraw/zinc/89/51/29/434895129.db2.gz WGRPGRPLOQMUAQ-PXNSSMCTSA-N 1 3 316.489 3.303 10 0 DGAEHO C[C@H](NCCOCC1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573407623 434895134 /nfs/dbraw/zinc/89/51/34/434895134.db2.gz WGRPGRPLOQMUAQ-PXNSSMCTSA-N 1 3 316.489 3.303 10 0 DGAEHO C/C(=C/c1ccc(Cl)cc1)CNC1(CCO)CC[NH+](C)CC1 ZINC000573981082 434940539 /nfs/dbraw/zinc/94/05/39/434940539.db2.gz IQVDPNRYVBWGGX-SQFISAMPSA-N 1 3 322.880 3.180 10 0 DGAEHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000248893176 546322659 /nfs/dbraw/zinc/32/26/59/546322659.db2.gz FXQNXIBMJCFWSF-HSALFYBXSA-N 1 3 323.569 3.455 10 0 DGAEHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000248893182 546322888 /nfs/dbraw/zinc/32/28/88/546322888.db2.gz FXQNXIBMJCFWSF-SLFFLAALSA-N 1 3 323.569 3.455 10 0 DGAEHO CSC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624082 661225065 /nfs/dbraw/zinc/22/50/65/661225065.db2.gz DBHCXYKVJLMBJT-UBDQQSCGSA-N 1 3 304.503 3.381 10 0 DGAEHO COCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716622125 661225108 /nfs/dbraw/zinc/22/51/08/661225108.db2.gz TUIACNFIQWKBOX-UFYCRDLUSA-N 1 3 316.489 3.446 10 0 DGAEHO COC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620409 661225195 /nfs/dbraw/zinc/22/51/95/661225195.db2.gz MTLVQGCJTMVMRQ-OTWHNJEPSA-N 1 3 316.489 3.444 10 0 DGAEHO CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619032 661225266 /nfs/dbraw/zinc/22/52/66/661225266.db2.gz AOWOVLOYMVETKX-YRPNKDGESA-N 1 3 316.489 3.036 10 0 DGAEHO CCC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619608 661225276 /nfs/dbraw/zinc/22/52/76/661225276.db2.gz FXAUQQXZQCIIEO-ZGXWSNOMSA-N 1 3 316.489 3.180 10 0 DGAEHO C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716680300 661226709 /nfs/dbraw/zinc/22/67/09/661226709.db2.gz HVYHKFUKUPPXAL-LPBINRMYSA-N 1 3 316.489 3.036 10 0 DGAEHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]([NH2+]C[C@H]2CCC=CO2)C3)cc1 ZINC000716716212 661227424 /nfs/dbraw/zinc/22/74/24/661227424.db2.gz GGJPZBSRGDDZJB-LWYYNNOASA-N 1 3 312.457 3.322 10 0 DGAEHO COC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716681426 661227455 /nfs/dbraw/zinc/22/74/55/661227455.db2.gz WWJLWSLKQWKDTC-RNQOJCNYSA-N 1 3 314.473 3.054 10 0 DGAEHO CO[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716692393 661227666 /nfs/dbraw/zinc/22/76/66/661227666.db2.gz LQSDWIASIVWDOV-FRYIKTPZSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@](C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716728276 661228202 /nfs/dbraw/zinc/22/82/02/661228202.db2.gz OEVDDOZSZCXEOY-MUGJNUQGSA-N 1 3 316.489 3.444 10 0 DGAEHO CC1(C)OCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716730468 661228256 /nfs/dbraw/zinc/22/82/56/661228256.db2.gz WYZPWWIRBSIEAQ-RDGPPVDQSA-N 1 3 314.473 3.197 10 0 DGAEHO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)n1 ZINC000195516348 662191199 /nfs/dbraw/zinc/19/11/99/662191199.db2.gz YXEXEBKBWKWKBO-HNNXBMFYSA-N 1 3 316.836 3.372 10 0 DGAEHO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)n1 ZINC000195516348 662191201 /nfs/dbraw/zinc/19/12/01/662191201.db2.gz YXEXEBKBWKWKBO-HNNXBMFYSA-N 1 3 316.836 3.372 10 0 DGAEHO Cc1n[nH]c(C)c1C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000379649838 1197703365 /nfs/dbraw/zinc/70/33/65/1197703365.db2.gz PWVJISFBUDLASH-CQSZACIVSA-N 1 3 300.450 3.027 10 0 DGAEHO CN(C)CCC[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000234217845 1202603448 /nfs/dbraw/zinc/60/34/48/1202603448.db2.gz PFRSKWUPXGXAPI-UHFFFAOYSA-N 1 3 305.647 3.144 10 0 DGAEHO CCC[NH+]1CCC(CN[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000122657806 284223134 /nfs/dbraw/zinc/22/31/34/284223134.db2.gz AVBLDMQRSLVPDV-HNNXBMFYSA-N 1 3 320.477 3.476 10 0 DGAEHO c1ccc(OCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246487231 432135646 /nfs/dbraw/zinc/13/56/46/432135646.db2.gz GXMYRTWTMPQYNV-LPHOPBHVSA-N 1 3 300.446 3.014 10 0 DGAEHO c1ccc(OCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246487231 432135650 /nfs/dbraw/zinc/13/56/50/432135650.db2.gz GXMYRTWTMPQYNV-LPHOPBHVSA-N 1 3 300.446 3.014 10 0 DGAEHO CN(C/C=C/Cl)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915755 194168904 /nfs/dbraw/zinc/16/89/04/194168904.db2.gz ZUHCTGJIOKVNDK-DNXKIMQPSA-N 1 3 322.880 3.116 10 0 DGAEHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CCN1C ZINC000119664751 195012977 /nfs/dbraw/zinc/01/29/77/195012977.db2.gz HHNWLPMQHRKSDS-HOJAQTOUSA-N 1 3 315.505 3.113 10 0 DGAEHO COc1ccc([C@H](C)C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261821588 285193513 /nfs/dbraw/zinc/19/35/13/285193513.db2.gz XYFMGUAMLFDGQR-BSIFCXSSSA-N 1 3 324.468 3.473 10 0 DGAEHO COc1ccc([C@H](C)C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261821588 285193514 /nfs/dbraw/zinc/19/35/14/285193514.db2.gz XYFMGUAMLFDGQR-BSIFCXSSSA-N 1 3 324.468 3.473 10 0 DGAEHO c1cc(CN2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCCC2)O3)cs1 ZINC000247941850 257114544 /nfs/dbraw/zinc/11/45/44/257114544.db2.gz GNBJYPUNZQPLMQ-ROUUACIJSA-N 1 3 320.502 3.358 10 0 DGAEHO CN(C)Cc1ccc2c(c1)OC1(C2)CC[NH+](C2CCC2)CC1 ZINC000114730564 400389234 /nfs/dbraw/zinc/38/92/34/400389234.db2.gz BPJUUCHTBWIZRC-UHFFFAOYSA-N 1 3 300.446 3.070 10 0 DGAEHO c1cc(N2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)ccn1 ZINC000297575038 296605030 /nfs/dbraw/zinc/60/50/30/296605030.db2.gz IBVKEXCOGJXNAL-QGZVFWFLSA-N 1 3 315.461 3.132 10 0 DGAEHO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c2c(c1)CNCC2 ZINC000635009752 401401988 /nfs/dbraw/zinc/40/19/88/401401988.db2.gz KHOYKKCAMCZPTM-ZYSHUDEJSA-N 1 3 314.473 3.017 10 0 DGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCOc2ccc(C)cc21 ZINC000165998407 286198485 /nfs/dbraw/zinc/19/84/85/286198485.db2.gz XUAOEQTZSFZPDE-FUHWJXTLSA-N 1 3 320.477 3.155 10 0 DGAEHO C[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)N1CCCCCC1 ZINC000261955995 165771314 /nfs/dbraw/zinc/77/13/14/165771314.db2.gz GPPJXWVZUOXIMV-CYBMUJFWSA-N 1 3 300.406 3.132 10 0 DGAEHO CC[N@@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071572 276221882 /nfs/dbraw/zinc/22/18/82/276221882.db2.gz FZXBCFSDRTUJGA-RDTXWAMCSA-N 1 3 302.462 3.349 10 0 DGAEHO CC[N@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071572 276221883 /nfs/dbraw/zinc/22/18/83/276221883.db2.gz FZXBCFSDRTUJGA-RDTXWAMCSA-N 1 3 302.462 3.349 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071572 276221885 /nfs/dbraw/zinc/22/18/85/276221885.db2.gz FZXBCFSDRTUJGA-RDTXWAMCSA-N 1 3 302.462 3.349 10 0 DGAEHO COc1ccc([C@H]2C[C@@H](C)N(CCC[NH+]3CCCC3)C2)cc1 ZINC000118998408 431632951 /nfs/dbraw/zinc/63/29/51/431632951.db2.gz HUMQMTSMXOKANL-AEFFLSMTSA-N 1 3 302.462 3.359 10 0 DGAEHO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(OCCN(C)C)cc1 ZINC000187870640 432689715 /nfs/dbraw/zinc/68/97/15/432689715.db2.gz PYTLKNAPQZFDNQ-YJBOKZPZSA-N 1 3 320.477 3.235 10 0 DGAEHO CC1(C)[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@H]2CCCO[C@H]21 ZINC000245838902 432865586 /nfs/dbraw/zinc/86/55/86/432865586.db2.gz DALZMFZPYFBLNA-GUDVDZBRSA-N 1 3 320.521 3.434 10 0 DGAEHO CC1(C)[C@H](NC2CC[NH+](CC3CCCC3)CC2)[C@H]2CCCO[C@H]21 ZINC000245838902 432865589 /nfs/dbraw/zinc/86/55/89/432865589.db2.gz DALZMFZPYFBLNA-GUDVDZBRSA-N 1 3 320.521 3.434 10 0 DGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000245620153 432850393 /nfs/dbraw/zinc/85/03/93/432850393.db2.gz WKDWDGNNNDPVNN-NKGKWGDASA-N 1 3 321.896 3.158 10 0 DGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000245620153 432850397 /nfs/dbraw/zinc/85/03/97/432850397.db2.gz WKDWDGNNNDPVNN-NKGKWGDASA-N 1 3 321.896 3.158 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446750073 433100189 /nfs/dbraw/zinc/10/01/89/433100189.db2.gz DQLMWAQJZGDELH-RTBURBONSA-N 1 3 304.478 3.159 10 0 DGAEHO c1ccc(CCOCCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420381905 433193609 /nfs/dbraw/zinc/19/36/09/433193609.db2.gz CWZMYTYDTDBPQF-UXHICEINSA-N 1 3 316.489 3.100 10 0 DGAEHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532647368 435183093 /nfs/dbraw/zinc/18/30/93/435183093.db2.gz HUELUFJINOIEOM-SJORKVTESA-N 1 3 324.509 3.305 10 0 DGAEHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532647368 435183095 /nfs/dbraw/zinc/18/30/95/435183095.db2.gz HUELUFJINOIEOM-SJORKVTESA-N 1 3 324.509 3.305 10 0 DGAEHO CCCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000482954527 435488355 /nfs/dbraw/zinc/48/83/55/435488355.db2.gz DPWKBNAEOIJWMI-ICSRJNTNSA-N 1 3 317.521 3.219 10 0 DGAEHO c1ccc([C@H](NCc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCOC2)cc1 ZINC000563269324 315097145 /nfs/dbraw/zinc/09/71/45/315097145.db2.gz NAWNYVZGXUQXLS-CTNGQTDRSA-N 1 3 322.452 3.200 10 0 DGAEHO c1cc2c(cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)CNCC2 ZINC000584355560 336090760 /nfs/dbraw/zinc/09/07/60/336090760.db2.gz BMRRTLPTGVNLKO-FQEVSTJZSA-N 1 3 314.473 3.256 10 0 DGAEHO c1cc2c(cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1)CNCC2 ZINC000584355560 336090762 /nfs/dbraw/zinc/09/07/62/336090762.db2.gz BMRRTLPTGVNLKO-FQEVSTJZSA-N 1 3 314.473 3.256 10 0 DGAEHO CC[NH+]1CCC(CCNCc2cnc(C(F)(F)F)s2)CC1 ZINC000443986537 528968008 /nfs/dbraw/zinc/96/80/08/528968008.db2.gz HOXNQDWPPVTTRH-UHFFFAOYSA-N 1 3 321.412 3.374 10 0 DGAEHO COC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716620030 661225217 /nfs/dbraw/zinc/22/52/17/661225217.db2.gz KKKCLGCPCQWEMR-LWYYNNOASA-N 1 3 316.489 3.300 10 0 DGAEHO CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620036 661225244 /nfs/dbraw/zinc/22/52/44/661225244.db2.gz KPBYOVDSWOGHPT-HAGHYFMRSA-N 1 3 316.489 3.036 10 0 DGAEHO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716663571 661226086 /nfs/dbraw/zinc/22/60/86/661226086.db2.gz SQWVLMYXPVXJIG-WKWVNEEDSA-N 1 3 314.473 3.197 10 0 DGAEHO COCC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716678666 661226665 /nfs/dbraw/zinc/22/66/65/661226665.db2.gz ABSWBJUAIHVRLM-LULLPPNCSA-N 1 3 302.462 3.054 10 0 DGAEHO COCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674515 661226670 /nfs/dbraw/zinc/22/66/70/661226670.db2.gz XYAIMMDAIQXDHO-FHWLQOOXSA-N 1 3 302.462 3.056 10 0 DGAEHO CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CO1 ZINC000716672118 661226788 /nfs/dbraw/zinc/22/67/88/661226788.db2.gz SVUNJPORNQMALJ-VJANTYMQSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716683836 661227681 /nfs/dbraw/zinc/22/76/81/661227681.db2.gz SPNYNDCGCYCRSK-XZEJUNMKSA-N 1 3 314.473 3.197 10 0 DGAEHO CC[C@@H](O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681583 661227693 /nfs/dbraw/zinc/22/76/93/661227693.db2.gz MFECBEKTEBGYSH-ZGXWSNOMSA-N 1 3 316.489 3.180 10 0 DGAEHO CCC[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716695828 661227709 /nfs/dbraw/zinc/22/77/09/661227709.db2.gz YJRJNFMORYOOSY-MUGJNUQGSA-N 1 3 316.489 3.444 10 0 DGAEHO COc1c(C)cc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043263 193145173 /nfs/dbraw/zinc/14/51/73/193145173.db2.gz YKEQOSKHQQRXRW-MSOLQXFVSA-N 1 3 302.462 3.228 10 0 DGAEHO COc1c(C)cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043263 193145174 /nfs/dbraw/zinc/14/51/74/193145174.db2.gz YKEQOSKHQQRXRW-MSOLQXFVSA-N 1 3 302.462 3.228 10 0 DGAEHO Cc1ccc(C)c([C@@H]2CN(CC3CC[NH2+]CC3)[C@@H](C)CO2)c1 ZINC000246269561 432112880 /nfs/dbraw/zinc/11/28/80/432112880.db2.gz LSDJDBIVCGYMPJ-LPHOPBHVSA-N 1 3 302.462 3.065 10 0 DGAEHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000122781317 284225363 /nfs/dbraw/zinc/22/53/63/284225363.db2.gz IZQVWNFJKDNLBU-OAHLLOKOSA-N 1 3 320.477 3.476 10 0 DGAEHO CCC[NH+]1CCC(CN[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000122658005 284223153 /nfs/dbraw/zinc/22/31/53/284223153.db2.gz AVBLDMQRSLVPDV-OAHLLOKOSA-N 1 3 320.477 3.476 10 0 DGAEHO CCOc1c(Cl)cc(C[NH2+]CCCN(C)C)cc1Cl ZINC000020477813 182222532 /nfs/dbraw/zinc/22/25/32/182222532.db2.gz BIPJZXAGVBMFPA-UHFFFAOYSA-N 1 3 305.249 3.433 10 0 DGAEHO C[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)CN1CCCC1 ZINC000493847909 246083939 /nfs/dbraw/zinc/08/39/39/246083939.db2.gz RTWWDTVYIXGJSP-IPJUCJBFSA-N 1 3 302.462 3.056 10 0 DGAEHO C[C@H](CNC1CC(OCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000493847909 246083944 /nfs/dbraw/zinc/08/39/44/246083944.db2.gz RTWWDTVYIXGJSP-IPJUCJBFSA-N 1 3 302.462 3.056 10 0 DGAEHO c1cc(N2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)ccn1 ZINC000297575036 296605000 /nfs/dbraw/zinc/60/50/00/296605000.db2.gz IBVKEXCOGJXNAL-KRWDZBQOSA-N 1 3 315.461 3.132 10 0 DGAEHO c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000635009864 401401530 /nfs/dbraw/zinc/40/15/30/401401530.db2.gz WWWLWPFMIFGRGX-MFHCWRBVSA-N 1 3 313.489 3.486 10 0 DGAEHO Fc1ccc(COC2CC[NH+](CCCN3CCCC3)CC2)cc1 ZINC000132350647 196248095 /nfs/dbraw/zinc/24/80/95/196248095.db2.gz BLGUPTSATRQVBP-UHFFFAOYSA-N 1 3 320.452 3.293 10 0 DGAEHO CCCC[C@H](CC)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000183616689 432309406 /nfs/dbraw/zinc/30/94/06/432309406.db2.gz UPMVOJDANNTQIP-RBUKOAKNSA-N 1 3 309.542 3.305 10 0 DGAEHO CCCC[C@H](CC)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183616689 432309410 /nfs/dbraw/zinc/30/94/10/432309410.db2.gz UPMVOJDANNTQIP-RBUKOAKNSA-N 1 3 309.542 3.305 10 0 DGAEHO CCCC[C@@H](CC)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183616631 432310324 /nfs/dbraw/zinc/31/03/24/432310324.db2.gz UPMVOJDANNTQIP-MOPGFXCFSA-N 1 3 309.542 3.305 10 0 DGAEHO CCCC[C@@H](CC)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183616631 432310328 /nfs/dbraw/zinc/31/03/28/432310328.db2.gz UPMVOJDANNTQIP-MOPGFXCFSA-N 1 3 309.542 3.305 10 0 DGAEHO COc1ccc([C@H](C)C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000252733729 432388940 /nfs/dbraw/zinc/38/89/40/432388940.db2.gz BKUNYJQAHIZMKE-SUMDDJOVSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000252733729 432388945 /nfs/dbraw/zinc/38/89/45/432388945.db2.gz BKUNYJQAHIZMKE-SUMDDJOVSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc([C@H](C)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000252733729 432388948 /nfs/dbraw/zinc/38/89/48/432388948.db2.gz BKUNYJQAHIZMKE-SUMDDJOVSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc([C@H](C)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000252733729 432388954 /nfs/dbraw/zinc/38/89/54/432388954.db2.gz BKUNYJQAHIZMKE-SUMDDJOVSA-N 1 3 302.462 3.215 10 0 DGAEHO CCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261913199 432459302 /nfs/dbraw/zinc/45/93/02/432459302.db2.gz YVLJVAPGFHWQBO-DFQSSKMNSA-N 1 3 315.505 3.143 10 0 DGAEHO CC(C)N1CCN(CCC[NH+]2CCC(C(C)(C)C)CC2)CC1 ZINC000192741938 432409008 /nfs/dbraw/zinc/40/90/08/432409008.db2.gz GPBOQINEUHPSPQ-UHFFFAOYSA-N 1 3 309.542 3.161 10 0 DGAEHO CCc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192784954 432414222 /nfs/dbraw/zinc/41/42/22/432414222.db2.gz KNSGOMRVJXXOGT-GOSISDBHSA-N 1 3 317.521 3.316 10 0 DGAEHO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(OCCN(C)C)c1 ZINC000187863730 432690360 /nfs/dbraw/zinc/69/03/60/432690360.db2.gz OWCXIUSARNJUOS-YJBOKZPZSA-N 1 3 320.477 3.235 10 0 DGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000245620162 432850755 /nfs/dbraw/zinc/85/07/55/432850755.db2.gz WKDWDGNNNDPVNN-PILAGYSTSA-N 1 3 321.896 3.158 10 0 DGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000245620162 432850757 /nfs/dbraw/zinc/85/07/57/432850757.db2.gz WKDWDGNNNDPVNN-PILAGYSTSA-N 1 3 321.896 3.158 10 0 DGAEHO CC[NH+]1CCC(CNCc2cscc2Br)CC1 ZINC000393842841 293832601 /nfs/dbraw/zinc/83/26/01/293832601.db2.gz WABUETSCYHEHBN-UHFFFAOYSA-N 1 3 317.296 3.332 10 0 DGAEHO CC[NH+](CC)CC1CCN(Cc2ccc(C(C)=O)cc2)CC1 ZINC000450260418 434061826 /nfs/dbraw/zinc/06/18/26/434061826.db2.gz CEBSKDHEJFTAHC-UHFFFAOYSA-N 1 3 302.462 3.443 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CS1 ZINC000309772487 434096510 /nfs/dbraw/zinc/09/65/10/434096510.db2.gz HXTAFPXZNZGROP-VINWQNLFSA-N 1 3 316.514 3.381 10 0 DGAEHO c1ccc2c(c1)NCCC[C@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423191580 434275185 /nfs/dbraw/zinc/27/51/85/434275185.db2.gz SYMQFBWCWXOVLI-LJQANCHMSA-N 1 3 310.445 3.098 10 0 DGAEHO CCC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)OC ZINC000386509045 434314504 /nfs/dbraw/zinc/31/45/04/434314504.db2.gz WWVJKZVIXQRHEP-YSTOQKLRSA-N 1 3 316.489 3.302 10 0 DGAEHO CCC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)OC ZINC000386509045 434314514 /nfs/dbraw/zinc/31/45/14/434314514.db2.gz WWVJKZVIXQRHEP-YSTOQKLRSA-N 1 3 316.489 3.302 10 0 DGAEHO CCC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)OC ZINC000386509045 434314541 /nfs/dbraw/zinc/31/45/41/434314541.db2.gz WWVJKZVIXQRHEP-YSTOQKLRSA-N 1 3 316.489 3.302 10 0 DGAEHO C[C@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000390690436 434366899 /nfs/dbraw/zinc/36/68/99/434366899.db2.gz PJHHWVHGDFEGAB-QFMLELGNSA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000390690436 434366907 /nfs/dbraw/zinc/36/69/07/434366907.db2.gz PJHHWVHGDFEGAB-QFMLELGNSA-N 1 3 314.473 3.339 10 0 DGAEHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(COc2ccccn2)CC1 ZINC000372016661 434786596 /nfs/dbraw/zinc/78/65/96/434786596.db2.gz HCLVNPOIYQOUPP-GOSISDBHSA-N 1 3 317.477 3.047 10 0 DGAEHO C[N@H+]1CCCC[C@@H]1CCN1CCC(COc2ccccn2)CC1 ZINC000372016661 434786603 /nfs/dbraw/zinc/78/66/03/434786603.db2.gz HCLVNPOIYQOUPP-GOSISDBHSA-N 1 3 317.477 3.047 10 0 DGAEHO COc1ccc(OC)c(CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000536652093 435399237 /nfs/dbraw/zinc/39/92/37/435399237.db2.gz DRFSOFKCYFJOAP-UHFFFAOYSA-N 1 3 320.477 3.256 10 0 DGAEHO COc1ccc(OC)c(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000536652093 435399245 /nfs/dbraw/zinc/39/92/45/435399245.db2.gz DRFSOFKCYFJOAP-UHFFFAOYSA-N 1 3 320.477 3.256 10 0 DGAEHO c1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(C2CC2)c1 ZINC000530247951 313347545 /nfs/dbraw/zinc/34/75/45/313347545.db2.gz FCBIADHPTIAYGI-HXUWFJFHSA-N 1 3 314.473 3.155 10 0 DGAEHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000336716396 546517578 /nfs/dbraw/zinc/51/75/78/546517578.db2.gz PFHFPKBYVDPLII-OALUTQOASA-N 1 3 302.462 3.057 10 0 DGAEHO c1ccc(C[N@H+]2CCCC[C@@H](CN[C@H]3CCCOC3)C2)cc1 ZINC000336716396 546517582 /nfs/dbraw/zinc/51/75/82/546517582.db2.gz PFHFPKBYVDPLII-OALUTQOASA-N 1 3 302.462 3.057 10 0 DGAEHO c1ccc(C[N@@H+]2CCCC[C@@H](CN[C@H]3CCCOC3)C2)cc1 ZINC000336716396 546517584 /nfs/dbraw/zinc/51/75/84/546517584.db2.gz PFHFPKBYVDPLII-OALUTQOASA-N 1 3 302.462 3.057 10 0 DGAEHO C[C@@H]1CN(Cc2cc(F)ccc2Br)C[C@H]1CC[NH3+] ZINC000723892362 655729100 /nfs/dbraw/zinc/72/91/00/655729100.db2.gz XISNBWDHPCXAFM-GHMZBOCLSA-N 1 3 315.230 3.005 10 0 DGAEHO CC[C@@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620230 661225080 /nfs/dbraw/zinc/22/50/80/661225080.db2.gz MGFYMRKKQSBOBH-LEAZDLGRSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@@H](CO)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623036 661225085 /nfs/dbraw/zinc/22/50/85/661225085.db2.gz XEHWDJXCGABGQY-GTAWCEEGSA-N 1 3 316.489 3.038 10 0 DGAEHO CC(C)(CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619581 661225157 /nfs/dbraw/zinc/22/51/57/661225157.db2.gz FKTKVXKRPBMQMP-FHWLQOOXSA-N 1 3 316.489 3.038 10 0 DGAEHO CCCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623072 661225160 /nfs/dbraw/zinc/22/51/60/661225160.db2.gz XJERQLQPDWGEPW-ZCNNSNEGSA-N 1 3 316.489 3.446 10 0 DGAEHO CCCCOCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623072 661225162 /nfs/dbraw/zinc/22/51/62/661225162.db2.gz XJERQLQPDWGEPW-ZCNNSNEGSA-N 1 3 316.489 3.446 10 0 DGAEHO CCCCOCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623072 661225163 /nfs/dbraw/zinc/22/51/63/661225163.db2.gz XJERQLQPDWGEPW-ZCNNSNEGSA-N 1 3 316.489 3.446 10 0 DGAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000716726630 661227938 /nfs/dbraw/zinc/22/79/38/661227938.db2.gz DUMGULSFFDVYID-ZKIDJSGLSA-N 1 3 314.473 3.197 10 0 DGAEHO COC(C)(C)[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000720148544 662302838 /nfs/dbraw/zinc/30/28/38/662302838.db2.gz KXDJYOMFZCXSQV-LULLPPNCSA-N 1 3 316.489 3.443 10 0 DGAEHO c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000401671689 1093963125 /nfs/dbraw/zinc/96/31/25/1093963125.db2.gz ZVYGQHZLDSKVIH-MJGOQNOKSA-N 1 3 324.472 3.289 10 0 DGAEHO c1[nH]nc2c1[C@@H](NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000401671689 1093963129 /nfs/dbraw/zinc/96/31/29/1093963129.db2.gz ZVYGQHZLDSKVIH-MJGOQNOKSA-N 1 3 324.472 3.289 10 0 DGAEHO c1[nH]nc2c1[C@@H](NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000401671689 1093963131 /nfs/dbraw/zinc/96/31/31/1093963131.db2.gz ZVYGQHZLDSKVIH-MJGOQNOKSA-N 1 3 324.472 3.289 10 0 DGAEHO c1ccc(CSCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038135 237027776 /nfs/dbraw/zinc/02/77/76/237027776.db2.gz HKUYGLSANFNDEH-ROUUACIJSA-N 1 3 304.503 3.384 10 0 DGAEHO CC1(C)[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000248657317 285015046 /nfs/dbraw/zinc/01/50/46/285015046.db2.gz XFOGXVGGXVRGBT-GUDVDZBRSA-N 1 3 316.489 3.005 10 0 DGAEHO CC(C)[N@H+](C)CC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000590787074 400434417 /nfs/dbraw/zinc/43/44/17/400434417.db2.gz WKEJZJNVIULWFL-UHFFFAOYSA-N 1 3 308.441 3.257 10 0 DGAEHO CC(C)[N@@H+](C)CC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000590787074 400434421 /nfs/dbraw/zinc/43/44/21/400434421.db2.gz WKEJZJNVIULWFL-UHFFFAOYSA-N 1 3 308.441 3.257 10 0 DGAEHO CC1(C)Oc2cccc(CN3CCC4(CC[NH2+]CC4)CC3)c2O1 ZINC000168403602 400757044 /nfs/dbraw/zinc/75/70/44/400757044.db2.gz BACZBKZDXRTCKB-UHFFFAOYSA-N 1 3 316.445 3.160 10 0 DGAEHO c1ccc2c(c1)CCSC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635009613 401401859 /nfs/dbraw/zinc/40/18/59/401401859.db2.gz JAHKNDAZRRENLE-FQEVSTJZSA-N 1 3 324.493 3.453 10 0 DGAEHO COCCC1(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CCCCC1 ZINC000187353550 165087596 /nfs/dbraw/zinc/08/75/96/165087596.db2.gz PIJCWRLFXPQKQU-SFHVURJKSA-N 1 3 308.510 3.391 10 0 DGAEHO COCCC1(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CCCCC1 ZINC000187353550 165087599 /nfs/dbraw/zinc/08/75/99/165087599.db2.gz PIJCWRLFXPQKQU-SFHVURJKSA-N 1 3 308.510 3.391 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000246809499 432166179 /nfs/dbraw/zinc/16/61/79/432166179.db2.gz ANDNTVRQKLMBSN-BBRMVZONSA-N 1 3 308.853 3.485 10 0 DGAEHO COc1ccc(OC)c([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC000131831713 196203206 /nfs/dbraw/zinc/20/32/06/196203206.db2.gz CTEQPQIOQRXBPI-WZYMTQMTSA-N 1 3 318.461 3.370 10 0 DGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CCCC1 ZINC000124763937 431903617 /nfs/dbraw/zinc/90/36/17/431903617.db2.gz HPZQJMHALWSATH-KRWDZBQOSA-N 1 3 307.526 3.105 10 0 DGAEHO Cc1ncsc1CN(C)C[C@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000192822969 432419345 /nfs/dbraw/zinc/41/93/45/432419345.db2.gz UAVXMAJUQDLWCK-OAHLLOKOSA-N 1 3 316.474 3.113 10 0 DGAEHO COc1cc(CN2CCC(C[NH+]3CCCC3)CC2)ccc1C ZINC000193694311 432492195 /nfs/dbraw/zinc/49/21/95/432492195.db2.gz CULDUQBJDWHRIK-UHFFFAOYSA-N 1 3 302.462 3.311 10 0 DGAEHO Cc1cc(Br)cc2c1CN(CC1CC[NH2+]CC1)CC2 ZINC000261938076 432462143 /nfs/dbraw/zinc/46/21/43/432462143.db2.gz MIZZXRCKDLMXKK-UHFFFAOYSA-N 1 3 323.278 3.115 10 0 DGAEHO CCOc1ccc(OCCN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245444832 432831856 /nfs/dbraw/zinc/83/18/56/432831856.db2.gz YKAYGJNABXNCDF-LPHOPBHVSA-N 1 3 320.477 3.126 10 0 DGAEHO CCOc1ccc(OCCN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000245444832 432831858 /nfs/dbraw/zinc/83/18/58/432831858.db2.gz YKAYGJNABXNCDF-LPHOPBHVSA-N 1 3 320.477 3.126 10 0 DGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771538 432862108 /nfs/dbraw/zinc/86/21/08/432862108.db2.gz RWNVLTVTBLEVBF-WMZOPIPTSA-N 1 3 304.478 3.474 10 0 DGAEHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771538 432862110 /nfs/dbraw/zinc/86/21/10/432862110.db2.gz RWNVLTVTBLEVBF-WMZOPIPTSA-N 1 3 304.478 3.474 10 0 DGAEHO c1ccc([C@@H]([NH2+]CCCN2CCCCC2)[C@@H]2CCOC2)cc1 ZINC000372898489 433056017 /nfs/dbraw/zinc/05/60/17/433056017.db2.gz VISSPGISNXVKOE-RTBURBONSA-N 1 3 302.462 3.230 10 0 DGAEHO c1ccc([C@@H](NCCC[NH+]2CCCCC2)[C@@H]2CCOC2)cc1 ZINC000372898489 433056025 /nfs/dbraw/zinc/05/60/25/433056025.db2.gz VISSPGISNXVKOE-RTBURBONSA-N 1 3 302.462 3.230 10 0 DGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000290508220 433070221 /nfs/dbraw/zinc/07/02/21/433070221.db2.gz YKVQUBYFYHRWHX-MTQWCTHYSA-N 1 3 314.473 3.056 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446750072 433098810 /nfs/dbraw/zinc/09/88/10/433098810.db2.gz DQLMWAQJZGDELH-RBUKOAKNSA-N 1 3 304.478 3.159 10 0 DGAEHO c1cc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422805836 434016436 /nfs/dbraw/zinc/01/64/36/434016436.db2.gz JSDJVYUUBSAQKU-AEFFLSMTSA-N 1 3 314.454 3.136 10 0 DGAEHO Cc1cccnc1CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295068207 434179807 /nfs/dbraw/zinc/17/98/07/434179807.db2.gz QUVMALBYGHDKTJ-ICSRJNTNSA-N 1 3 323.484 3.433 10 0 DGAEHO Cc1cccnc1CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295068207 434179818 /nfs/dbraw/zinc/17/98/18/434179818.db2.gz QUVMALBYGHDKTJ-ICSRJNTNSA-N 1 3 323.484 3.433 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[C@@H](C)O1 ZINC000384934319 434295632 /nfs/dbraw/zinc/29/56/32/434295632.db2.gz QICCZKJMAQRDNP-MSPXFKQSSA-N 1 3 314.473 3.053 10 0 DGAEHO c1ccc2c(c1)OCC[C@@H]2CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388773704 434334594 /nfs/dbraw/zinc/33/45/94/434334594.db2.gz GOXLIEUSUUYCMX-NUJGCVRESA-N 1 3 300.446 3.017 10 0 DGAEHO CC[NH+]1CCC(CNCc2ccsc2Br)CC1 ZINC000388809883 434335952 /nfs/dbraw/zinc/33/59/52/434335952.db2.gz CLGRJIWESYJHLJ-UHFFFAOYSA-N 1 3 317.296 3.332 10 0 DGAEHO c1ccc2c(c1)OCC[C@@H]2CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000388773703 434337713 /nfs/dbraw/zinc/33/77/13/434337713.db2.gz GOXLIEUSUUYCMX-JFIYKMOQSA-N 1 3 300.446 3.017 10 0 DGAEHO C[C@H](CC(C)(C)C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397599466 434440988 /nfs/dbraw/zinc/44/09/88/434440988.db2.gz SFWQCAJOLWLHKN-QGZVFWFLSA-N 1 3 318.505 3.428 10 0 DGAEHO CCN(CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360928776 434733044 /nfs/dbraw/zinc/73/30/44/434733044.db2.gz CBPVZUCBRQMHGT-QUCCMNQESA-N 1 3 317.521 3.217 10 0 DGAEHO c1cc(C[NH+]2CCCCC2)ccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000411819434 434832871 /nfs/dbraw/zinc/83/28/71/434832871.db2.gz NAOHRQGVFWIHBD-ROUUACIJSA-N 1 3 302.487 3.362 10 0 DGAEHO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000537205789 435429921 /nfs/dbraw/zinc/42/99/21/435429921.db2.gz SVOCYIFWMGURHN-UHFFFAOYSA-N 1 3 320.525 3.271 10 0 DGAEHO c1ccc(OCC2CC2)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000516570750 435539927 /nfs/dbraw/zinc/53/99/27/435539927.db2.gz YRHZQGHLWVQZGO-SFHVURJKSA-N 1 3 314.473 3.297 10 0 DGAEHO c1ccc([C@H](NC2CC[NH+](CC3CC3)CC2)[C@H]2CCOC2)cc1 ZINC000540410902 435599075 /nfs/dbraw/zinc/59/90/75/435599075.db2.gz FAUWREJEGSIWKN-ICSRJNTNSA-N 1 3 314.473 3.228 10 0 DGAEHO Cc1cc(C)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000180940814 323241397 /nfs/dbraw/zinc/24/13/97/323241397.db2.gz KAGWNMVYWFTGGV-UHFFFAOYSA-N 1 3 317.521 3.070 10 0 DGAEHO Cc1cc(C)c(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000180940814 323241400 /nfs/dbraw/zinc/24/14/00/323241400.db2.gz KAGWNMVYWFTGGV-UHFFFAOYSA-N 1 3 317.521 3.070 10 0 DGAEHO Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000310497458 534421266 /nfs/dbraw/zinc/42/12/66/534421266.db2.gz IONSKDFULSSZNS-CEWLAPEOSA-N 1 3 321.468 3.390 10 0 DGAEHO Cn1cccc1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000272618546 546357501 /nfs/dbraw/zinc/35/75/01/546357501.db2.gz XQIBWNOYTLKVRN-YZGWKJHDSA-N 1 3 309.457 3.025 10 0 DGAEHO C[C@@]1(CNC(=[NH2+])NC2CCCC2)CCCN1Cc1ccccc1 ZINC000153558582 620579384 /nfs/dbraw/zinc/57/93/84/620579384.db2.gz AMOWAJYGIAQUMS-IBGZPJMESA-N 1 3 314.477 3.098 10 0 DGAEHO CC(C)[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619031 661225172 /nfs/dbraw/zinc/22/51/72/661225172.db2.gz AOWOVLOYMVETKX-MUGJNUQGSA-N 1 3 316.489 3.036 10 0 DGAEHO CC(C)(CO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716697564 661227336 /nfs/dbraw/zinc/22/73/36/661227336.db2.gz HLCCOOZYXBVBKG-FHWLQOOXSA-N 1 3 316.489 3.038 10 0 DGAEHO CO[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716692399 661227612 /nfs/dbraw/zinc/22/76/12/661227612.db2.gz LQSDWIASIVWDOV-OJAHFUOMSA-N 1 3 314.473 3.054 10 0 DGAEHO CO[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716692396 661227657 /nfs/dbraw/zinc/22/76/57/661227657.db2.gz LQSDWIASIVWDOV-LEAZDLGRSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716688844 661227688 /nfs/dbraw/zinc/22/76/88/661227688.db2.gz BXDMVSDVRWJXIA-LULLPPNCSA-N 1 3 316.489 3.179 10 0 DGAEHO FC(F)OCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685869 661227740 /nfs/dbraw/zinc/22/77/40/661227740.db2.gz XPIFWNFKUCLNRF-ULQDDVLXSA-N 1 3 324.415 3.258 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000716726628 661228101 /nfs/dbraw/zinc/22/81/01/661228101.db2.gz DUMGULSFFDVYID-JUSBFGHESA-N 1 3 314.473 3.197 10 0 DGAEHO COc1ccc(/C=C\CN2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC000096840063 657559208 /nfs/dbraw/zinc/55/92/08/657559208.db2.gz IEVVJYMDNBRLFO-ARJAWSKDSA-N 1 3 300.446 3.126 10 0 DGAEHO COc1ccc(/C=C\CN2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC000096840063 657559211 /nfs/dbraw/zinc/55/92/11/657559211.db2.gz IEVVJYMDNBRLFO-ARJAWSKDSA-N 1 3 300.446 3.126 10 0 DGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000353521757 659995560 /nfs/dbraw/zinc/99/55/60/659995560.db2.gz SLCLPJRTEHGBNW-LZQZEXGQSA-N 1 3 324.472 3.287 10 0 DGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000353521757 659995561 /nfs/dbraw/zinc/99/55/61/659995561.db2.gz SLCLPJRTEHGBNW-LZQZEXGQSA-N 1 3 324.472 3.287 10 0 DGAEHO C[C@]1(C[NH2+]Cc2ccns2)CCN(Cc2ccccc2)C1 ZINC000404428187 1094257629 /nfs/dbraw/zinc/25/76/29/1094257629.db2.gz JYEOTSSSMJDSGU-QGZVFWFLSA-N 1 3 301.459 3.145 10 0 DGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000179494251 432060376 /nfs/dbraw/zinc/06/03/76/432060376.db2.gz WKDWDGNNNDPVNN-BNEJOLLZSA-N 1 3 321.896 3.158 10 0 DGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000179494251 432060378 /nfs/dbraw/zinc/06/03/78/432060378.db2.gz WKDWDGNNNDPVNN-BNEJOLLZSA-N 1 3 321.896 3.158 10 0 DGAEHO c1ccc(OCCCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415039654 237026659 /nfs/dbraw/zinc/02/66/59/237026659.db2.gz JJVPGESMQNLCNU-IEBWSBKVSA-N 1 3 302.462 3.310 10 0 DGAEHO Cc1ccc(C(=O)CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171138717 432106228 /nfs/dbraw/zinc/10/62/28/432106228.db2.gz NUOUHKMDVLACRW-UHFFFAOYSA-N 1 3 314.473 3.376 10 0 DGAEHO COc1cc(CCC2CC[NH+](CC(C)(C)N)CC2)cc(OC)c1 ZINC000261819423 285193439 /nfs/dbraw/zinc/19/34/39/285193439.db2.gz IGVQSIMQWJGEQU-UHFFFAOYSA-N 1 3 320.477 3.086 10 0 DGAEHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](CNc4ccncc4)[C@@H]3C2)nc1 ZINC000248117217 257107849 /nfs/dbraw/zinc/10/78/49/257107849.db2.gz SZJGANUOXDUVMU-UWVAXJGDSA-N 1 3 322.456 3.437 10 0 DGAEHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](CNc4ccncc4)[C@@H]3C2)nc1 ZINC000248117217 257107850 /nfs/dbraw/zinc/10/78/50/257107850.db2.gz SZJGANUOXDUVMU-UWVAXJGDSA-N 1 3 322.456 3.437 10 0 DGAEHO CC[NH+](CC)[C@@H]1CCO[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000503716195 257209772 /nfs/dbraw/zinc/20/97/72/257209772.db2.gz DWEYLOLCPVYPDA-MOPGFXCFSA-N 1 3 320.452 3.291 10 0 DGAEHO c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000635009865 401401578 /nfs/dbraw/zinc/40/15/78/401401578.db2.gz WWWLWPFMIFGRGX-SMMRIJLZSA-N 1 3 313.489 3.486 10 0 DGAEHO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c2c(c1)CNCC2 ZINC000635010840 401402139 /nfs/dbraw/zinc/40/21/39/401402139.db2.gz NIZVSFWQGTWWCP-MISYRCLQSA-N 1 3 314.473 3.017 10 0 DGAEHO Cc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccn1 ZINC000631194440 401422825 /nfs/dbraw/zinc/42/28/25/401422825.db2.gz LAMDUNWEKMEKQS-UZLBHIALSA-N 1 3 309.457 3.248 10 0 DGAEHO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284087 286275429 /nfs/dbraw/zinc/27/54/29/286275429.db2.gz YWTDOGVECTZGHF-GUYCJALGSA-N 1 3 317.433 3.162 10 0 DGAEHO CC[N@H+]1CC[C@@H](CN[C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284087 286275430 /nfs/dbraw/zinc/27/54/30/286275430.db2.gz YWTDOGVECTZGHF-GUYCJALGSA-N 1 3 317.433 3.162 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284087 286275431 /nfs/dbraw/zinc/27/54/31/286275431.db2.gz YWTDOGVECTZGHF-GUYCJALGSA-N 1 3 317.433 3.162 10 0 DGAEHO C[C@@H]1CC[C@@H](C)N(CC2(C[N@@H+]3C[C@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205057 432166830 /nfs/dbraw/zinc/16/68/30/432166830.db2.gz MBJOXRCLNJZDCV-TVFCKZIOSA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@@H](C)N(CC2(C[N@H+]3C[C@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205057 432166834 /nfs/dbraw/zinc/16/68/34/432166834.db2.gz MBJOXRCLNJZDCV-TVFCKZIOSA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)N(CC2(C[N@@H+]3C[C@H](C)CC[C@H]3C)COC2)C1 ZINC000182205057 432166838 /nfs/dbraw/zinc/16/68/38/432166838.db2.gz MBJOXRCLNJZDCV-TVFCKZIOSA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)N(CC2(C[N@H+]3C[C@H](C)CC[C@H]3C)COC2)C1 ZINC000182205057 432166840 /nfs/dbraw/zinc/16/68/40/432166840.db2.gz MBJOXRCLNJZDCV-TVFCKZIOSA-N 1 3 308.510 3.244 10 0 DGAEHO COc1cccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000247116485 432203901 /nfs/dbraw/zinc/20/39/01/432203901.db2.gz AHNJBQMXZAOIIB-IEBWSBKVSA-N 1 3 302.462 3.044 10 0 DGAEHO COc1cccc(CCC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000247116485 432203906 /nfs/dbraw/zinc/20/39/06/432203906.db2.gz AHNJBQMXZAOIIB-IEBWSBKVSA-N 1 3 302.462 3.044 10 0 DGAEHO COc1cccc(CCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000247116485 432203909 /nfs/dbraw/zinc/20/39/09/432203909.db2.gz AHNJBQMXZAOIIB-IEBWSBKVSA-N 1 3 302.462 3.044 10 0 DGAEHO COc1cccc(CCCN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000247116485 432203913 /nfs/dbraw/zinc/20/39/13/432203913.db2.gz AHNJBQMXZAOIIB-IEBWSBKVSA-N 1 3 302.462 3.044 10 0 DGAEHO CCCn1nc(C)c(CN2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000134186583 196369478 /nfs/dbraw/zinc/36/94/78/196369478.db2.gz MXGVGWHXNPCFQW-UHFFFAOYSA-N 1 3 318.509 3.218 10 0 DGAEHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000183760684 432323765 /nfs/dbraw/zinc/32/37/65/432323765.db2.gz CQFVVVIXEIACFA-OAHLLOKOSA-N 1 3 324.509 3.351 10 0 DGAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000249062172 432335833 /nfs/dbraw/zinc/33/58/33/432335833.db2.gz PVWAQNKLQVPIDH-AZUAARDMSA-N 1 3 315.505 3.096 10 0 DGAEHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000249062172 432335835 /nfs/dbraw/zinc/33/58/35/432335835.db2.gz PVWAQNKLQVPIDH-AZUAARDMSA-N 1 3 315.505 3.096 10 0 DGAEHO CCN(CC)CCC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000191823717 432305721 /nfs/dbraw/zinc/30/57/21/432305721.db2.gz GKHOAMZGDXPNGQ-MRXNPFEDSA-N 1 3 300.450 3.255 10 0 DGAEHO COc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1C ZINC000261730818 432444643 /nfs/dbraw/zinc/44/46/43/432444643.db2.gz OJHNVJSSYDUCDJ-MOPGFXCFSA-N 1 3 310.441 3.178 10 0 DGAEHO COc1ccc(C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1C ZINC000261730818 432444646 /nfs/dbraw/zinc/44/46/46/432444646.db2.gz OJHNVJSSYDUCDJ-MOPGFXCFSA-N 1 3 310.441 3.178 10 0 DGAEHO COc1ccc(C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1C ZINC000261730818 432444649 /nfs/dbraw/zinc/44/46/49/432444649.db2.gz OJHNVJSSYDUCDJ-MOPGFXCFSA-N 1 3 310.441 3.178 10 0 DGAEHO COC[C@@H](CCC[NH3+])N[C@H]1CCSc2ccc(Cl)cc21 ZINC000234755342 432739715 /nfs/dbraw/zinc/73/97/15/432739715.db2.gz OSFGVOGMOKFIHA-OCCSQVGLSA-N 1 3 314.882 3.220 10 0 DGAEHO COC[C@H](CCC[NH3+])N[C@H]1CCSc2ccc(Cl)cc21 ZINC000234702767 432740980 /nfs/dbraw/zinc/74/09/80/432740980.db2.gz OSFGVOGMOKFIHA-JSGCOSHPSA-N 1 3 314.882 3.220 10 0 DGAEHO O[C@H](c1ccc(F)cc1)C1CC[NH+](CCCN2CCCC2)CC1 ZINC000163112508 432844162 /nfs/dbraw/zinc/84/41/62/432844162.db2.gz UEFCPNUICKLXLO-LJQANCHMSA-N 1 3 320.452 3.057 10 0 DGAEHO O[C@H](C[C@H]1CCC[N@@H+]1CCCN1CCCC1)c1cccs1 ZINC000163230700 432846515 /nfs/dbraw/zinc/84/65/15/432846515.db2.gz PRDWFIOOGYPJRX-HZPDHXFCSA-N 1 3 308.491 3.122 10 0 DGAEHO O[C@H](C[C@H]1CCC[N@H+]1CCCN1CCCC1)c1cccs1 ZINC000163230700 432846519 /nfs/dbraw/zinc/84/65/19/432846519.db2.gz PRDWFIOOGYPJRX-HZPDHXFCSA-N 1 3 308.491 3.122 10 0 DGAEHO C[C@@H](NCCOCC[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000447597461 433239805 /nfs/dbraw/zinc/23/98/05/433239805.db2.gz GCTQYKHECSAKBP-LLVKDONJSA-N 1 3 305.249 3.222 10 0 DGAEHO CCC[C@@H](C)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397491126 293846114 /nfs/dbraw/zinc/84/61/14/293846114.db2.gz JDROTTONIZQZAF-QGZVFWFLSA-N 1 3 304.478 3.039 10 0 DGAEHO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000378955777 434252811 /nfs/dbraw/zinc/25/28/11/434252811.db2.gz LUSQIHNHCNTKEI-VAMGGRTRSA-N 1 3 316.489 3.182 10 0 DGAEHO c1cncc(C[NH2+]CCCN[C@H](c2cccnc2)C2CCC2)c1 ZINC000423187142 434269676 /nfs/dbraw/zinc/26/96/76/434269676.db2.gz LYCNGBFMTYXFOR-IBGZPJMESA-N 1 3 310.445 3.087 10 0 DGAEHO c1ccc(OCCCCCN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000579711720 435177378 /nfs/dbraw/zinc/17/73/78/435177378.db2.gz GGTVZRWXYDTOHV-LJQANCHMSA-N 1 3 302.462 3.311 10 0 DGAEHO c1ccc(OCCCCC[N@@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC000579711720 435177383 /nfs/dbraw/zinc/17/73/83/435177383.db2.gz GGTVZRWXYDTOHV-LJQANCHMSA-N 1 3 302.462 3.311 10 0 DGAEHO c1ccc(OCCCCC[N@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC000579711720 435177387 /nfs/dbraw/zinc/17/73/87/435177387.db2.gz GGTVZRWXYDTOHV-LJQANCHMSA-N 1 3 302.462 3.311 10 0 DGAEHO c1ccc([C@@H]2C[C@H](Nc3ccc4c(c3)OCCNC4)CC[NH2+]2)cc1 ZINC000530246246 313347514 /nfs/dbraw/zinc/34/75/14/313347514.db2.gz DABNRQJYIDGJNK-MOPGFXCFSA-N 1 3 323.440 3.074 10 0 DGAEHO CC1=CCN(CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000545161007 314229136 /nfs/dbraw/zinc/22/91/36/314229136.db2.gz JRUVZNYXUMBLLG-QUCCMNQESA-N 1 3 319.537 3.271 10 0 DGAEHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@H]1CC12CCSCC2 ZINC000423546889 527491948 /nfs/dbraw/zinc/49/19/48/527491948.db2.gz KUJBWKCKDUMGOX-TWMKSMIVSA-N 1 3 308.535 3.420 10 0 DGAEHO CSC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624078 661224930 /nfs/dbraw/zinc/22/49/30/661224930.db2.gz DBHCXYKVJLMBJT-OWLYRPNTSA-N 1 3 304.503 3.381 10 0 DGAEHO COCC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620183 661224950 /nfs/dbraw/zinc/22/49/50/661224950.db2.gz LOHRISSLAYNKFG-OTWHNJEPSA-N 1 3 316.489 3.302 10 0 DGAEHO CC(C)C[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620026 661225175 /nfs/dbraw/zinc/22/51/75/661225175.db2.gz KHUXOTOWHXLXQM-LWYYNNOASA-N 1 3 316.489 3.036 10 0 DGAEHO CCC[C@@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619109 661225214 /nfs/dbraw/zinc/22/52/14/661225214.db2.gz BLCUQUJOKAMRNE-MUGJNUQGSA-N 1 3 316.489 3.180 10 0 DGAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716623645 661225224 /nfs/dbraw/zinc/22/52/24/661225224.db2.gz BWJXZJNBEYEDSF-UHZRXMQZSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716671655 661226220 /nfs/dbraw/zinc/22/62/20/661226220.db2.gz HKWINKYCTZXHBE-RFZNHBKKSA-N 1 3 316.514 3.381 10 0 DGAEHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716660626 661226238 /nfs/dbraw/zinc/22/62/38/661226238.db2.gz HHRKRZCZZMMXCB-HTDHLNIYSA-N 1 3 314.473 3.054 10 0 DGAEHO CCC[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716695827 661227538 /nfs/dbraw/zinc/22/75/38/661227538.db2.gz YJRJNFMORYOOSY-LWYYNNOASA-N 1 3 316.489 3.444 10 0 DGAEHO C[C@@H]1CN(Cc2cc(F)cc(Br)c2)C[C@H]1CC[NH3+] ZINC000723890133 656503801 /nfs/dbraw/zinc/50/38/01/656503801.db2.gz CABBQJGCGVWVIT-ZYHUDNBSSA-N 1 3 315.230 3.005 10 0 DGAEHO CCN(CC)CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000249022366 662363055 /nfs/dbraw/zinc/36/30/55/662363055.db2.gz KKHFECIJHMYULH-RBUKOAKNSA-N 1 3 304.478 3.306 10 0 DGAEHO CCN(CC)CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000249022366 662363057 /nfs/dbraw/zinc/36/30/57/662363057.db2.gz KKHFECIJHMYULH-RBUKOAKNSA-N 1 3 304.478 3.306 10 0 DGAEHO c1cc(CCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033397 237021519 /nfs/dbraw/zinc/02/15/19/237021519.db2.gz BRYJPBIDJOPVCN-RBUKOAKNSA-N 1 3 314.473 3.018 10 0 DGAEHO c1ccc(OCCCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415039657 237027678 /nfs/dbraw/zinc/02/76/78/237027678.db2.gz JJVPGESMQNLCNU-MJGOQNOKSA-N 1 3 302.462 3.310 10 0 DGAEHO Cc1nc2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261819325 285192758 /nfs/dbraw/zinc/19/27/58/285192758.db2.gz IGAGUFPDNWEVQC-KKUMJFAQSA-N 1 3 301.459 3.164 10 0 DGAEHO c1cncc([C@H](NCc2cccc3c2CC[NH2+]C3)C2CCC2)c1 ZINC000635006186 401400451 /nfs/dbraw/zinc/40/04/51/401400451.db2.gz BBUFJDIWAPATPY-HXUWFJFHSA-N 1 3 307.441 3.358 10 0 DGAEHO Fc1ccc2nc(CN3CCC4(C3)CC[NH2+]CC4)sc2c1 ZINC000262079726 165785363 /nfs/dbraw/zinc/78/53/63/165785363.db2.gz SZLLVVYZCHLDJA-UHFFFAOYSA-N 1 3 305.422 3.011 10 0 DGAEHO c1ccc([C@@H]([NH2+]CCCN2CCCCC2)[C@H]2CCOC2)cc1 ZINC000372898488 271579383 /nfs/dbraw/zinc/57/93/83/271579383.db2.gz VISSPGISNXVKOE-RBUKOAKNSA-N 1 3 302.462 3.230 10 0 DGAEHO c1ccc([C@@H](NCCC[NH+]2CCCCC2)[C@H]2CCOC2)cc1 ZINC000372898488 271579388 /nfs/dbraw/zinc/57/93/88/271579388.db2.gz VISSPGISNXVKOE-RBUKOAKNSA-N 1 3 302.462 3.230 10 0 DGAEHO C[N@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)C1CCCC1 ZINC000121183820 431749868 /nfs/dbraw/zinc/74/98/68/431749868.db2.gz RSYNASOXWLDXJC-FQEVSTJZSA-N 1 3 316.489 3.306 10 0 DGAEHO C[N@@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)C1CCCC1 ZINC000121183820 431749877 /nfs/dbraw/zinc/74/98/77/431749877.db2.gz RSYNASOXWLDXJC-FQEVSTJZSA-N 1 3 316.489 3.306 10 0 DGAEHO CN(C)c1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000173533977 432285434 /nfs/dbraw/zinc/28/54/34/432285434.db2.gz WNZRDSMAHVDKIQ-UHFFFAOYSA-N 1 3 301.478 3.060 10 0 DGAEHO Cc1cc(-n2ccnc2)ccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248828502 432321844 /nfs/dbraw/zinc/32/18/44/432321844.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 1 3 312.461 3.095 10 0 DGAEHO Cc1cc(-n2ccnc2)ccc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248828502 432321848 /nfs/dbraw/zinc/32/18/48/432321848.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 1 3 312.461 3.095 10 0 DGAEHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(Br)cc1 ZINC000261589538 432432648 /nfs/dbraw/zinc/43/26/48/432432648.db2.gz WIOGTRGYIVJQIO-TUKIKUTGSA-N 1 3 311.267 3.488 10 0 DGAEHO COc1ccc(CCC2CC[NH+](C[C@H]3CCCNC3)CC2)cc1 ZINC000261644340 432436325 /nfs/dbraw/zinc/43/63/25/432436325.db2.gz ANYYQPAINLDLBV-IBGZPJMESA-N 1 3 316.489 3.339 10 0 DGAEHO COc1ccc(CCC2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000261644340 432436329 /nfs/dbraw/zinc/43/63/29/432436329.db2.gz ANYYQPAINLDLBV-IBGZPJMESA-N 1 3 316.489 3.339 10 0 DGAEHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccnn1C ZINC000192852044 432422940 /nfs/dbraw/zinc/42/29/40/432422940.db2.gz MJJNMVYPVNYRDG-UXDRXVOSSA-N 1 3 324.472 3.266 10 0 DGAEHO COCC[NH+]1CCC(Nc2c(C)cnc3c(C)cccc32)CC1 ZINC000185279814 432486682 /nfs/dbraw/zinc/48/66/82/432486682.db2.gz HRNIFCKGLPZEBS-UHFFFAOYSA-N 1 3 313.445 3.374 10 0 DGAEHO c1ccc2oc([C@@H]3CCC[N@@H+](CCCN4CCCC4)C3)nc2c1 ZINC000162796687 432834890 /nfs/dbraw/zinc/83/48/90/432834890.db2.gz IGVDEGWFVOCPFQ-MRXNPFEDSA-N 1 3 313.445 3.493 10 0 DGAEHO c1ccc2oc([C@@H]3CCC[N@H+](CCCN4CCCC4)C3)nc2c1 ZINC000162796687 432834892 /nfs/dbraw/zinc/83/48/92/432834892.db2.gz IGVDEGWFVOCPFQ-MRXNPFEDSA-N 1 3 313.445 3.493 10 0 DGAEHO c1[nH]c(-c2ccccc2)nc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446886013 433122770 /nfs/dbraw/zinc/12/27/70/433122770.db2.gz DBQMIEDDWWLFNV-UHFFFAOYSA-N 1 3 310.445 3.041 10 0 DGAEHO c1ccc(CCOCCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420381908 433192396 /nfs/dbraw/zinc/19/23/96/433192396.db2.gz CWZMYTYDTDBPQF-WOJBJXKFSA-N 1 3 316.489 3.100 10 0 DGAEHO c1cc(N2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)ccn1 ZINC000421384025 433527161 /nfs/dbraw/zinc/52/71/61/433527161.db2.gz OONXWISHFMPVSG-HNNXBMFYSA-N 1 3 317.502 3.173 10 0 DGAEHO c1c(CNCCCCC[NH+]2CCCC2)[nH]nc1-c1ccccc1 ZINC000339500181 433621554 /nfs/dbraw/zinc/62/15/54/433621554.db2.gz YBZXSDHXTLQJSZ-UHFFFAOYSA-N 1 3 312.461 3.432 10 0 DGAEHO O=C1CCC(C[N@@H+]2CCC[C@H](CN3CCCCCC3)C2)CC1 ZINC000450345878 434117410 /nfs/dbraw/zinc/11/74/10/434117410.db2.gz CAVBUNVKMNNZDJ-GOSISDBHSA-N 1 3 306.494 3.334 10 0 DGAEHO O=C1CCC(C[N@H+]2CCC[C@H](CN3CCCCCC3)C2)CC1 ZINC000450345878 434117417 /nfs/dbraw/zinc/11/74/17/434117417.db2.gz CAVBUNVKMNNZDJ-GOSISDBHSA-N 1 3 306.494 3.334 10 0 DGAEHO CC[C@](C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)OC ZINC000319950272 434234705 /nfs/dbraw/zinc/23/47/05/434234705.db2.gz VDQOAVIHXRUDHI-UAFMIMERSA-N 1 3 316.489 3.302 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[C@H](C)O1 ZINC000384934320 434296605 /nfs/dbraw/zinc/29/66/05/434296605.db2.gz QICCZKJMAQRDNP-NPYRMBCDSA-N 1 3 314.473 3.053 10 0 DGAEHO c1ccc2c(c1)OCC[C@@H]2CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000388774497 434336513 /nfs/dbraw/zinc/33/65/13/434336513.db2.gz GOXLIEUSUUYCMX-SOLBZPMBSA-N 1 3 300.446 3.017 10 0 DGAEHO c1ccc2c(c1)OCC[C@@H]2CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388773705 434336764 /nfs/dbraw/zinc/33/67/64/434336764.db2.gz GOXLIEUSUUYCMX-RYRKJORJSA-N 1 3 300.446 3.017 10 0 DGAEHO CC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397512988 434435824 /nfs/dbraw/zinc/43/58/24/434435824.db2.gz QCHFMTFJLFVWFQ-OALUTQOASA-N 1 3 316.489 3.182 10 0 DGAEHO c1cc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)sn1 ZINC000404429478 434514662 /nfs/dbraw/zinc/51/46/62/434514662.db2.gz LCZTYSPCWXYXEQ-INIZCTEOSA-N 1 3 301.459 3.145 10 0 DGAEHO c1cc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)sn1 ZINC000404429480 434517591 /nfs/dbraw/zinc/51/75/91/434517591.db2.gz LCZTYSPCWXYXEQ-MRXNPFEDSA-N 1 3 301.459 3.145 10 0 DGAEHO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)c1 ZINC000247129044 295179690 /nfs/dbraw/zinc/17/96/90/295179690.db2.gz NLKCIBOTSLRUMP-YJBOKZPZSA-N 1 3 318.461 3.325 10 0 DGAEHO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)c1 ZINC000247129044 295179692 /nfs/dbraw/zinc/17/96/92/295179692.db2.gz NLKCIBOTSLRUMP-YJBOKZPZSA-N 1 3 318.461 3.325 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000360433899 434604667 /nfs/dbraw/zinc/60/46/67/434604667.db2.gz PQJVQSLXBCCMRE-KGLIPLIRSA-N 1 3 308.491 3.410 10 0 DGAEHO c1ncn2cc(CNC3CC[NH+](C4CCCCC4)CC3)ccc12 ZINC000459657300 434651501 /nfs/dbraw/zinc/65/15/01/434651501.db2.gz HQBXPWZCDMNJOW-UHFFFAOYSA-N 1 3 312.461 3.221 10 0 DGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CO1 ZINC000657433730 436200982 /nfs/dbraw/zinc/20/09/82/436200982.db2.gz ZZGXJUYUPUODHP-USYVTKNRSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC000657433730 436200986 /nfs/dbraw/zinc/20/09/86/436200986.db2.gz ZZGXJUYUPUODHP-USYVTKNRSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC000657433730 436200989 /nfs/dbraw/zinc/20/09/89/436200989.db2.gz ZZGXJUYUPUODHP-USYVTKNRSA-N 1 3 314.473 3.054 10 0 DGAEHO c1c2cccnc2oc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000569780362 315603031 /nfs/dbraw/zinc/60/30/31/315603031.db2.gz WRVDPCLXTSNLBC-UHFFFAOYSA-N 1 3 322.412 3.229 10 0 DGAEHO COc1ccccc1CC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000083877901 545780795 /nfs/dbraw/zinc/78/07/95/545780795.db2.gz KMIZQHYHYLHHCR-IBGZPJMESA-N 1 3 316.489 3.434 10 0 DGAEHO COc1ccccc1CC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000083877901 545780802 /nfs/dbraw/zinc/78/08/02/545780802.db2.gz KMIZQHYHYLHHCR-IBGZPJMESA-N 1 3 316.489 3.434 10 0 DGAEHO C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716660628 661226223 /nfs/dbraw/zinc/22/62/23/661226223.db2.gz HHRKRZCZZMMXCB-QDGKJQRMSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716660629 661226258 /nfs/dbraw/zinc/22/62/58/661226258.db2.gz HHRKRZCZZMMXCB-XZEJUNMKSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@H](CCCCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681550 661227491 /nfs/dbraw/zinc/22/74/91/661227491.db2.gz LNPURGNLYZXAMO-GTAWCEEGSA-N 1 3 316.489 3.180 10 0 DGAEHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H]1CCOC1 ZINC000716734792 661228169 /nfs/dbraw/zinc/22/81/69/661228169.db2.gz WLFGDTWMGMXBOG-FLNBYBTLSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@]1(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927914 657199642 /nfs/dbraw/zinc/19/96/42/657199642.db2.gz CJQXIKYLLDZBPO-GOEBONIOSA-N 1 3 312.379 3.494 10 0 DGAEHO C[C@@H](COCc1ccccc1)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719512107 662291310 /nfs/dbraw/zinc/29/13/10/662291310.db2.gz XHPASWPKCIGXBE-YJJAZYOBSA-N 1 3 302.462 3.054 10 0 DGAEHO C[C@H]([NH2+]CCc1ccns1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000719821707 662297161 /nfs/dbraw/zinc/29/71/61/662297161.db2.gz YADNWABNMIULIH-DOTOQJQBSA-N 1 3 315.486 3.186 10 0 DGAEHO COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000720148539 662302796 /nfs/dbraw/zinc/30/27/96/662302796.db2.gz KXDJYOMFZCXSQV-KANFNMMFSA-N 1 3 316.489 3.443 10 0 DGAEHO C[NH+]1CCC(CCNCc2sccc2Br)CC1 ZINC000158656555 1202603955 /nfs/dbraw/zinc/60/39/55/1202603955.db2.gz FWCDZACDNXHEKZ-UHFFFAOYSA-N 1 3 317.296 3.332 10 0 DGAEHO CN(C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245951875 282148987 /nfs/dbraw/zinc/14/89/87/282148987.db2.gz WNTNBFGOBYPPPO-RCCFBDPRSA-N 1 3 302.462 3.041 10 0 DGAEHO C[NH+](C)CCC1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000092381391 185314804 /nfs/dbraw/zinc/31/48/04/185314804.db2.gz OEPRSIGCGBYXKB-UHFFFAOYSA-N 1 3 312.461 3.240 10 0 DGAEHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCOc2ccc(C)cc21 ZINC000165998531 432057607 /nfs/dbraw/zinc/05/76/07/432057607.db2.gz XUAOEQTZSFZPDE-SJLPKXTDSA-N 1 3 320.477 3.155 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000247228582 432213411 /nfs/dbraw/zinc/21/34/11/432213411.db2.gz YDFUQLNVNSFJFO-WMZOPIPTSA-N 1 3 302.462 3.449 10 0 DGAEHO C[C@@H]1c2cccc(Br)c2CCN1CC1CC[NH2+]CC1 ZINC000262018929 279132232 /nfs/dbraw/zinc/13/22/32/279132232.db2.gz VZKMEUBPBRZYJL-GFCCVEGCSA-N 1 3 323.278 3.368 10 0 DGAEHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095968 431781211 /nfs/dbraw/zinc/78/12/11/431781211.db2.gz NOVWRILMTWODKX-UKRRQHHQSA-N 1 3 312.404 3.450 10 0 DGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095968 431781218 /nfs/dbraw/zinc/78/12/18/431781218.db2.gz NOVWRILMTWODKX-UKRRQHHQSA-N 1 3 312.404 3.450 10 0 DGAEHO CCOc1ccc(OCCN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000174781941 432370072 /nfs/dbraw/zinc/37/00/72/432370072.db2.gz YKAYGJNABXNCDF-VQIMIIECSA-N 1 3 320.477 3.126 10 0 DGAEHO CCOc1ccc(OCCN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000174781941 432370076 /nfs/dbraw/zinc/37/00/76/432370076.db2.gz YKAYGJNABXNCDF-VQIMIIECSA-N 1 3 320.477 3.126 10 0 DGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CCCCC1 ZINC000177381263 432618443 /nfs/dbraw/zinc/61/84/43/432618443.db2.gz XPAOZDRXQPPBPI-GOSISDBHSA-N 1 3 321.553 3.495 10 0 DGAEHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000234802181 432739695 /nfs/dbraw/zinc/73/96/95/432739695.db2.gz DKSLSHHDYBUZGZ-JQWIXIFHSA-N 1 3 305.249 3.398 10 0 DGAEHO O[C@@H](C[C@@H]1CCCN1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388665 432850476 /nfs/dbraw/zinc/85/04/76/432850476.db2.gz DRBWETZGFKIZIF-OALUTQOASA-N 1 3 320.452 3.200 10 0 DGAEHO c1c(CNCC2CC[NH+](C3CC3)CC2)[nH]nc1-c1ccccc1 ZINC000446887589 433124442 /nfs/dbraw/zinc/12/44/42/433124442.db2.gz WAPODMMUAHTXPF-UHFFFAOYSA-N 1 3 310.445 3.041 10 0 DGAEHO CC[NH+](CC)CC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000506880330 294277787 /nfs/dbraw/zinc/27/77/87/294277787.db2.gz HWOTYWFRWGFYOL-UHFFFAOYSA-N 1 3 306.498 3.261 10 0 DGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C[C@H](C)O1 ZINC000507464646 294299485 /nfs/dbraw/zinc/29/94/85/294299485.db2.gz XZOJPDTWUFZTGD-UKBAYJJMSA-N 1 3 308.510 3.434 10 0 DGAEHO c1ccc(COCCC2(C[NH2+][C@H]3CCCNCC3)CC2)cc1 ZINC000423051315 434192925 /nfs/dbraw/zinc/19/29/25/434192925.db2.gz NBOPFXKOEPXFRC-SFHVURJKSA-N 1 3 302.462 3.105 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000423120845 434235035 /nfs/dbraw/zinc/23/50/35/434235035.db2.gz HOIGKFUJGRUTOD-OBKDMQGPSA-N 1 3 314.473 3.417 10 0 DGAEHO CC1(C)C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000396970889 434425306 /nfs/dbraw/zinc/42/53/06/434425306.db2.gz LTXMKKCFCSSLIR-MSRNWOCLSA-N 1 3 314.473 3.339 10 0 DGAEHO CC1(C)C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000396970889 434425314 /nfs/dbraw/zinc/42/53/14/434425314.db2.gz LTXMKKCFCSSLIR-MSRNWOCLSA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@H](NCCc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000521423783 434883378 /nfs/dbraw/zinc/88/33/78/434883378.db2.gz RALVWIFXABOGOO-WDEREUQCSA-N 1 3 317.296 3.031 10 0 DGAEHO C[C@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCCNC1 ZINC000521423783 434883381 /nfs/dbraw/zinc/88/33/81/434883381.db2.gz RALVWIFXABOGOO-WDEREUQCSA-N 1 3 317.296 3.031 10 0 DGAEHO c1ccc([C@@H](NC2CC[NH+](CC3CC3)CC2)[C@H]2CCOC2)cc1 ZINC000540410901 435599992 /nfs/dbraw/zinc/59/99/92/435599992.db2.gz FAUWREJEGSIWKN-AZUAARDMSA-N 1 3 314.473 3.228 10 0 DGAEHO CN1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000545199525 314232319 /nfs/dbraw/zinc/23/23/19/314232319.db2.gz SFZNBSAEGYFQDA-MRXNPFEDSA-N 1 3 318.461 3.073 10 0 DGAEHO c1cc2c(cc1CN1CCS[C@@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000581553620 324129772 /nfs/dbraw/zinc/12/97/72/324129772.db2.gz YBFKAUHYECNHDT-ZWKOTPCHSA-N 1 3 302.487 3.192 10 0 DGAEHO CSC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624080 661225237 /nfs/dbraw/zinc/22/52/37/661225237.db2.gz DBHCXYKVJLMBJT-SPUZQDLCSA-N 1 3 304.503 3.381 10 0 DGAEHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716671663 661226268 /nfs/dbraw/zinc/22/62/68/661226268.db2.gz HKWINKYCTZXHBE-XXQMMXQMSA-N 1 3 316.514 3.381 10 0 DGAEHO CC[C@H](COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674221 661226726 /nfs/dbraw/zinc/22/67/26/661226726.db2.gz VVUQRZOZJNCFHG-RDGPPVDQSA-N 1 3 302.462 3.054 10 0 DGAEHO CC(C)(CO)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716697569 661227462 /nfs/dbraw/zinc/22/74/62/661227462.db2.gz HLCCOOZYXBVBKG-OTWHNJEPSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@@H](CCCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716695886 661227674 /nfs/dbraw/zinc/22/76/74/661227674.db2.gz ZITNLFSUUHLJDZ-LEAZDLGRSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@H](CCCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716695887 661227705 /nfs/dbraw/zinc/22/77/05/661227705.db2.gz ZITNLFSUUHLJDZ-MDNKFWRPSA-N 1 3 316.489 3.038 10 0 DGAEHO CC[C@](C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716728278 661227927 /nfs/dbraw/zinc/22/79/27/661227927.db2.gz OEVDDOZSZCXEOY-ZGXWSNOMSA-N 1 3 316.489 3.444 10 0 DGAEHO COCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716729710 661228219 /nfs/dbraw/zinc/22/82/19/661228219.db2.gz VGUFWLXTMLNLFR-FHWLQOOXSA-N 1 3 314.473 3.056 10 0 DGAEHO C=CCOc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000066972320 1195579917 /nfs/dbraw/zinc/57/99/17/1195579917.db2.gz QXTZULRKLQVMOM-HNNXBMFYSA-N 1 3 320.864 3.479 10 0 DGAEHO Cc1ncsc1C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000080234675 1197050020 /nfs/dbraw/zinc/05/00/20/1197050020.db2.gz INBGGHQLKWFYFB-AWEZNQCLSA-N 1 3 303.475 3.452 10 0 DGAEHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493923364 246096401 /nfs/dbraw/zinc/09/64/01/246096401.db2.gz BCFBYJLGOPBHSO-BKVYNOPKSA-N 1 3 302.462 3.197 10 0 DGAEHO C[NH+](C)[C@@H]1CCC[C@H](NC2CC(OCc3ccccc3)C2)C1 ZINC000493923364 246096407 /nfs/dbraw/zinc/09/64/07/246096407.db2.gz BCFBYJLGOPBHSO-BKVYNOPKSA-N 1 3 302.462 3.197 10 0 DGAEHO CC[NH+](CC)CCCn1c(CNC)nc2cc(Cl)ccc21 ZINC000040403911 183061558 /nfs/dbraw/zinc/06/15/58/183061558.db2.gz VGTRQUFEFJUPOV-UHFFFAOYSA-N 1 3 308.857 3.141 10 0 DGAEHO c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2c(c1)COCC2 ZINC000635014001 401404286 /nfs/dbraw/zinc/40/42/86/401404286.db2.gz XLACLKFYTWEBJU-VAMGGRTRSA-N 1 3 314.473 3.160 10 0 DGAEHO CN1CCCC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000624124055 401629489 /nfs/dbraw/zinc/62/94/89/401629489.db2.gz WBKRMBXWPREVPW-LMDPOFIKSA-N 1 3 302.462 3.056 10 0 DGAEHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000193139230 299718558 /nfs/dbraw/zinc/71/85/58/299718558.db2.gz DJJQWAJQWXXPDE-ROUUACIJSA-N 1 3 321.553 3.351 10 0 DGAEHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000347423704 264218434 /nfs/dbraw/zinc/21/84/34/264218434.db2.gz HPBMZYXTFYRAAQ-RAFMOHDBSA-N 1 3 316.489 3.443 10 0 DGAEHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000347423704 264218436 /nfs/dbraw/zinc/21/84/36/264218436.db2.gz HPBMZYXTFYRAAQ-RAFMOHDBSA-N 1 3 316.489 3.443 10 0 DGAEHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000347423699 264218577 /nfs/dbraw/zinc/21/85/77/264218577.db2.gz HPBMZYXTFYRAAQ-NXEWRWPSSA-N 1 3 316.489 3.443 10 0 DGAEHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000347423699 264218579 /nfs/dbraw/zinc/21/85/79/264218579.db2.gz HPBMZYXTFYRAAQ-NXEWRWPSSA-N 1 3 316.489 3.443 10 0 DGAEHO C[C@H](CC[NH2+][C@@H]1CCCc2n[nH]cc21)N(C)Cc1ccccc1 ZINC000367601922 271049122 /nfs/dbraw/zinc/04/91/22/271049122.db2.gz QKJQMCHTWPWHCC-CRAIPNDOSA-N 1 3 312.461 3.287 10 0 DGAEHO c1c2c(cc3c1OCCC[C@@H]3NCC1=CC[NH2+]CC1)CCCC2 ZINC000423344064 275063146 /nfs/dbraw/zinc/06/31/46/275063146.db2.gz MOVDFBMTXVEBSD-IBGZPJMESA-N 1 3 312.457 3.288 10 0 DGAEHO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000248388529 432283146 /nfs/dbraw/zinc/28/31/46/432283146.db2.gz DYZZAXQOQNRCHW-QZTJIDSGSA-N 1 3 301.478 3.072 10 0 DGAEHO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC[C@H]1CCCN1C ZINC000248388529 432283148 /nfs/dbraw/zinc/28/31/48/432283148.db2.gz DYZZAXQOQNRCHW-QZTJIDSGSA-N 1 3 301.478 3.072 10 0 DGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H]1CCCO1 ZINC000248416528 432288968 /nfs/dbraw/zinc/28/89/68/432288968.db2.gz PSSAQIHKJIJKSL-ZMHJYQQXSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000183760668 432323375 /nfs/dbraw/zinc/32/33/75/432323375.db2.gz CQFVVVIXEIACFA-HNNXBMFYSA-N 1 3 324.509 3.351 10 0 DGAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000249062175 432336914 /nfs/dbraw/zinc/33/69/14/432336914.db2.gz PVWAQNKLQVPIDH-UYAOXDASSA-N 1 3 315.505 3.096 10 0 DGAEHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000249062175 432336921 /nfs/dbraw/zinc/33/69/21/432336921.db2.gz PVWAQNKLQVPIDH-UYAOXDASSA-N 1 3 315.505 3.096 10 0 DGAEHO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000184018448 432345816 /nfs/dbraw/zinc/34/58/16/432345816.db2.gz DYZZAXQOQNRCHW-MSOLQXFVSA-N 1 3 301.478 3.072 10 0 DGAEHO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000184018448 432345820 /nfs/dbraw/zinc/34/58/20/432345820.db2.gz DYZZAXQOQNRCHW-MSOLQXFVSA-N 1 3 301.478 3.072 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CCN1C ZINC000249778983 432358354 /nfs/dbraw/zinc/35/83/54/432358354.db2.gz CRIIPUGUZWVNBL-MISYRCLQSA-N 1 3 315.505 3.113 10 0 DGAEHO Clc1ccc2[nH]c([C@H]3CCCN3CC3CC[NH2+]CC3)nc2c1 ZINC000261825318 432453384 /nfs/dbraw/zinc/45/33/84/432453384.db2.gz IQUUTJUEPBKFPF-MRXNPFEDSA-N 1 3 318.852 3.353 10 0 DGAEHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000192784942 432415613 /nfs/dbraw/zinc/41/56/13/432415613.db2.gz QKSPJNFILKFUFP-MRXNPFEDSA-N 1 3 323.912 3.407 10 0 DGAEHO O[C@H](C[C@@H]1CCCN1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163181775 432845141 /nfs/dbraw/zinc/84/51/41/432845141.db2.gz CHZJHBVMIZFTCH-RBUKOAKNSA-N 1 3 302.462 3.060 10 0 DGAEHO O[C@@H](C[C@@H]1CCCN1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163181881 432845605 /nfs/dbraw/zinc/84/56/05/432845605.db2.gz CHZJHBVMIZFTCH-OALUTQOASA-N 1 3 302.462 3.060 10 0 DGAEHO c1ccc(CCOCCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420381903 433192545 /nfs/dbraw/zinc/19/25/45/433192545.db2.gz CWZMYTYDTDBPQF-PMACEKPBSA-N 1 3 316.489 3.100 10 0 DGAEHO CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397484337 293846237 /nfs/dbraw/zinc/84/62/37/293846237.db2.gz ADSAIVQOXOZBHE-IAGOWNOFSA-N 1 3 304.478 3.038 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000423120846 434232768 /nfs/dbraw/zinc/23/27/68/434232768.db2.gz HOIGKFUJGRUTOD-OUUBHVDSSA-N 1 3 314.473 3.417 10 0 DGAEHO c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459598592 434623989 /nfs/dbraw/zinc/62/39/89/434623989.db2.gz XCPYAEGPHSBRNP-PXNSSMCTSA-N 1 3 307.441 3.444 10 0 DGAEHO c1ccc2c(c1)O[C@@H](C[NH2+]C1CCN(CC3CC3)CC1)CS2 ZINC000583934229 435258652 /nfs/dbraw/zinc/25/86/52/435258652.db2.gz VAGFEMSULTXFMS-INIZCTEOSA-N 1 3 318.486 3.004 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CNC3CC[NH+](CC4CC4)CC3)O2)cc1 ZINC000516999583 435566821 /nfs/dbraw/zinc/56/68/21/435566821.db2.gz UXNYORKINPNRRB-UXHICEINSA-N 1 3 314.473 3.371 10 0 DGAEHO c1cnn(-c2cccc(CN3CCC(C[NH+]4CCCC4)CC3)c2)c1 ZINC000134186337 312685195 /nfs/dbraw/zinc/68/51/95/312685195.db2.gz JTIOKUJUNHMRKI-UHFFFAOYSA-N 1 3 324.472 3.180 10 0 DGAEHO CC1=CCN(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000545161006 314229171 /nfs/dbraw/zinc/22/91/71/314229171.db2.gz JRUVZNYXUMBLLG-ICSRJNTNSA-N 1 3 319.537 3.271 10 0 DGAEHO CN1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000545199524 314232295 /nfs/dbraw/zinc/23/22/95/314232295.db2.gz SFZNBSAEGYFQDA-INIZCTEOSA-N 1 3 318.461 3.073 10 0 DGAEHO c1ccc(N[C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000563267948 315096312 /nfs/dbraw/zinc/09/63/12/315096312.db2.gz FKUIGXRVZVGJNG-OAQYLSRUSA-N 1 3 321.468 3.409 10 0 DGAEHO c1ccc(N2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000565095877 315229596 /nfs/dbraw/zinc/22/95/96/315229596.db2.gz YCXOTIMDDMUEML-UHFFFAOYSA-N 1 3 321.468 3.045 10 0 DGAEHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000248902116 546322691 /nfs/dbraw/zinc/32/26/91/546322691.db2.gz SKHFOIHCNXAWPE-GBESFXJTSA-N 1 3 309.542 3.064 10 0 DGAEHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000482511989 546911364 /nfs/dbraw/zinc/91/13/64/546911364.db2.gz QFHCLROTVYYDBN-CMKODMSKSA-N 1 3 317.521 3.217 10 0 DGAEHO OCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619572 661225021 /nfs/dbraw/zinc/22/50/21/661225021.db2.gz FHZOZBJHXZUDLO-UFYCRDLUSA-N 1 3 316.489 3.182 10 0 DGAEHO CC[C@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620229 661225033 /nfs/dbraw/zinc/22/50/33/661225033.db2.gz MGFYMRKKQSBOBH-GTAWCEEGSA-N 1 3 316.489 3.038 10 0 DGAEHO CC[C@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620231 661225150 /nfs/dbraw/zinc/22/51/50/661225150.db2.gz MGFYMRKKQSBOBH-MDNKFWRPSA-N 1 3 316.489 3.038 10 0 DGAEHO CC(C)(C)OCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716648975 661226009 /nfs/dbraw/zinc/22/60/09/661226009.db2.gz GUKLNKBUGMREGR-OTWHNJEPSA-N 1 3 316.489 3.444 10 0 DGAEHO CC(C)(C)OCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716648975 661226011 /nfs/dbraw/zinc/22/60/11/661226011.db2.gz GUKLNKBUGMREGR-OTWHNJEPSA-N 1 3 316.489 3.444 10 0 DGAEHO CC(C)(C)OCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716648975 661226014 /nfs/dbraw/zinc/22/60/14/661226014.db2.gz GUKLNKBUGMREGR-OTWHNJEPSA-N 1 3 316.489 3.444 10 0 DGAEHO CC[C@@H](COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674222 661226626 /nfs/dbraw/zinc/22/66/26/661226626.db2.gz VVUQRZOZJNCFHG-VJANTYMQSA-N 1 3 302.462 3.054 10 0 DGAEHO FC1(F)CC(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716710152 661227669 /nfs/dbraw/zinc/22/76/69/661227669.db2.gz WSHSZRZXAQMFAF-UXLLHSPISA-N 1 3 306.400 3.427 10 0 DGAEHO FC1(F)CC(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716710152 661227671 /nfs/dbraw/zinc/22/76/71/661227671.db2.gz WSHSZRZXAQMFAF-UXLLHSPISA-N 1 3 306.400 3.427 10 0 DGAEHO Cc1cc(C)cc([C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000173533613 659390484 /nfs/dbraw/zinc/39/04/84/659390484.db2.gz RWISYORZPNWYIP-HXUWFJFHSA-N 1 3 316.489 3.145 10 0 DGAEHO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353684456 660026848 /nfs/dbraw/zinc/02/68/48/660026848.db2.gz SIUDXZMRTSPRKA-WDYCEAGBSA-N 1 3 324.472 3.287 10 0 DGAEHO C(CCNCc1nc2c(s1)CCC2)CC[NH+]1CCCCC1 ZINC000093075143 1198650055 /nfs/dbraw/zinc/65/00/55/1198650055.db2.gz QBOZZDOHIYSRKF-UHFFFAOYSA-N 1 3 307.507 3.378 10 0 DGAEHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000192752369 1201258387 /nfs/dbraw/zinc/25/83/87/1201258387.db2.gz FPXFQPATYONDDS-QGZVFWFLSA-N 1 3 323.550 3.027 10 0 DGAEHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000192752369 1201258393 /nfs/dbraw/zinc/25/83/93/1201258393.db2.gz FPXFQPATYONDDS-QGZVFWFLSA-N 1 3 323.550 3.027 10 0 DGAEHO C[C@@H]1C[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000179454938 199038166 /nfs/dbraw/zinc/03/81/66/199038166.db2.gz NOVYGLISCXYFGQ-CJNGLKHVSA-N 1 3 317.408 3.096 10 0 DGAEHO C[C@@H]1C[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000179454938 199038168 /nfs/dbraw/zinc/03/81/68/199038168.db2.gz NOVYGLISCXYFGQ-CJNGLKHVSA-N 1 3 317.408 3.096 10 0 DGAEHO c1ccc([C@@H]2CCCC[C@H](NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000415046200 237030260 /nfs/dbraw/zinc/03/02/60/237030260.db2.gz UNDSGBMGDRZTLX-CEXWTWQISA-N 1 3 302.462 3.071 10 0 DGAEHO CN([C@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CCN(C)CC1 ZINC000021017012 182260441 /nfs/dbraw/zinc/26/04/41/182260441.db2.gz ZPXMKXCJKHYOTP-OAHLLOKOSA-N 1 3 316.276 3.019 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)O2)cc1 ZINC000344032689 254216321 /nfs/dbraw/zinc/21/63/21/254216321.db2.gz HYGCPDAWXKRZAD-OKYOBFRVSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)O2)cc1 ZINC000344032689 254216323 /nfs/dbraw/zinc/21/63/23/254216323.db2.gz HYGCPDAWXKRZAD-OKYOBFRVSA-N 1 3 300.446 3.123 10 0 DGAEHO Cc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccn1 ZINC000631194435 401423068 /nfs/dbraw/zinc/42/30/68/401423068.db2.gz LAMDUNWEKMEKQS-OXQOHEQNSA-N 1 3 309.457 3.248 10 0 DGAEHO COCCC1(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CCCCC1 ZINC000187468682 165091928 /nfs/dbraw/zinc/09/19/28/165091928.db2.gz OLQXXOILIUYQSS-ROUUACIJSA-N 1 3 308.510 3.390 10 0 DGAEHO COCCC1(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CCCCC1 ZINC000187468682 165091932 /nfs/dbraw/zinc/09/19/32/165091932.db2.gz OLQXXOILIUYQSS-ROUUACIJSA-N 1 3 308.510 3.390 10 0 DGAEHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000234740713 165405088 /nfs/dbraw/zinc/40/50/88/165405088.db2.gz ZGUGWNSRPLWSIN-CMPLNLGQSA-N 1 3 305.249 3.398 10 0 DGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H]1CCCO1 ZINC000248416526 165621539 /nfs/dbraw/zinc/62/15/39/165621539.db2.gz PSSAQIHKJIJKSL-CJSSEVFESA-N 1 3 314.473 3.054 10 0 DGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096665 431782721 /nfs/dbraw/zinc/78/27/21/431782721.db2.gz YUJHUFMVBWUZGB-VQIMIIECSA-N 1 3 312.461 3.034 10 0 DGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096665 431782726 /nfs/dbraw/zinc/78/27/26/431782726.db2.gz YUJHUFMVBWUZGB-VQIMIIECSA-N 1 3 312.461 3.034 10 0 DGAEHO CCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261637673 432436617 /nfs/dbraw/zinc/43/66/17/432436617.db2.gz DJWXUXIUEHBNJJ-QUCCMNQESA-N 1 3 310.441 3.260 10 0 DGAEHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cn[nH]c1 ZINC000271532741 432416867 /nfs/dbraw/zinc/41/68/67/432416867.db2.gz PSUSFPOGVZKLOI-AQXGTKIOSA-N 1 3 310.445 3.256 10 0 DGAEHO Cc1ncsc1CN(C)C[C@@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000192822993 432419084 /nfs/dbraw/zinc/41/90/84/432419084.db2.gz UAVXMAJUQDLWCK-HNNXBMFYSA-N 1 3 316.474 3.113 10 0 DGAEHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000154292326 432489224 /nfs/dbraw/zinc/48/92/24/432489224.db2.gz DGYIQSOOGNUSFL-QZTJIDSGSA-N 1 3 309.542 3.209 10 0 DGAEHO C(C1CCCC1)N1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194009422 432517507 /nfs/dbraw/zinc/51/75/07/432517507.db2.gz ILLTWCAUVJDSAJ-GUDVDZBRSA-N 1 3 318.505 3.188 10 0 DGAEHO C(C1CCCC1)[NH+]1CCC(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194009422 432517512 /nfs/dbraw/zinc/51/75/12/432517512.db2.gz ILLTWCAUVJDSAJ-GUDVDZBRSA-N 1 3 318.505 3.188 10 0 DGAEHO CN1CCC[C@@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000162026742 432808773 /nfs/dbraw/zinc/80/87/73/432808773.db2.gz HWJHLTYOOKSWLK-MRXNPFEDSA-N 1 3 305.441 3.186 10 0 DGAEHO CCOC1CC(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000367205885 293037880 /nfs/dbraw/zinc/03/78/80/293037880.db2.gz LXXSDJRCRUMEMJ-LMDPOFIKSA-N 1 3 308.510 3.390 10 0 DGAEHO C[C@@H](NCCc1cccc(OCc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400511113 293864883 /nfs/dbraw/zinc/86/48/83/293864883.db2.gz JHIJDKBZDJUPGO-XLIONFOSSA-N 1 3 324.468 3.396 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000423120841 434232154 /nfs/dbraw/zinc/23/21/54/434232154.db2.gz HOIGKFUJGRUTOD-CXQPBAHBSA-N 1 3 314.473 3.417 10 0 DGAEHO Brc1ccc([C@H](NC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423207042 434285686 /nfs/dbraw/zinc/28/56/86/434285686.db2.gz GKXBAEHIXXEQKJ-BLLLJJGKSA-N 1 3 323.278 3.489 10 0 DGAEHO c1ccc2c(c1)NCCC[C@@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423191578 434276853 /nfs/dbraw/zinc/27/68/53/434276853.db2.gz SYMQFBWCWXOVLI-IBGZPJMESA-N 1 3 310.445 3.098 10 0 DGAEHO CCC[C@H](C)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397491125 434435845 /nfs/dbraw/zinc/43/58/45/434435845.db2.gz JDROTTONIZQZAF-KRWDZBQOSA-N 1 3 304.478 3.039 10 0 DGAEHO C[C@@H](NCCOCC1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573407626 434896229 /nfs/dbraw/zinc/89/62/29/434896229.db2.gz WGRPGRPLOQMUAQ-YLJYHZDGSA-N 1 3 316.489 3.303 10 0 DGAEHO C[C@@H](NCCOCC1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573407626 434896234 /nfs/dbraw/zinc/89/62/34/434896234.db2.gz WGRPGRPLOQMUAQ-YLJYHZDGSA-N 1 3 316.489 3.303 10 0 DGAEHO c1nc2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)ccc2[nH]1 ZINC000518770351 435652830 /nfs/dbraw/zinc/65/28/30/435652830.db2.gz KNJURBGWPSKVQJ-UHFFFAOYSA-N 1 3 320.440 3.449 10 0 DGAEHO c1nc2ccc(CNCc3ccc(C[NH+]4CCCC4)cc3)cc2[nH]1 ZINC000518770351 435652832 /nfs/dbraw/zinc/65/28/32/435652832.db2.gz KNJURBGWPSKVQJ-UHFFFAOYSA-N 1 3 320.440 3.449 10 0 DGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CO1 ZINC000657433729 436199409 /nfs/dbraw/zinc/19/94/09/436199409.db2.gz ZZGXJUYUPUODHP-UJMXGEILSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC000657433729 436199412 /nfs/dbraw/zinc/19/94/12/436199412.db2.gz ZZGXJUYUPUODHP-UJMXGEILSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC000657433729 436199415 /nfs/dbraw/zinc/19/94/15/436199415.db2.gz ZZGXJUYUPUODHP-UJMXGEILSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CO1 ZINC000657433727 436200865 /nfs/dbraw/zinc/20/08/65/436200865.db2.gz ZZGXJUYUPUODHP-CENDIDJXSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657433727 436200869 /nfs/dbraw/zinc/20/08/69/436200869.db2.gz ZZGXJUYUPUODHP-CENDIDJXSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657433727 436200873 /nfs/dbraw/zinc/20/08/73/436200873.db2.gz ZZGXJUYUPUODHP-CENDIDJXSA-N 1 3 314.473 3.054 10 0 DGAEHO CC1=CCN(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000545161008 314229344 /nfs/dbraw/zinc/22/93/44/314229344.db2.gz JRUVZNYXUMBLLG-UYAOXDASSA-N 1 3 319.537 3.271 10 0 DGAEHO C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@H]1CCCNC1 ZINC000567645844 315437872 /nfs/dbraw/zinc/43/78/72/315437872.db2.gz CYBDZNIZGALAKJ-HKUYNNGSSA-N 1 3 316.489 3.351 10 0 DGAEHO C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@H]1CCCNC1 ZINC000567645846 315437918 /nfs/dbraw/zinc/43/79/18/315437918.db2.gz CYBDZNIZGALAKJ-MJGOQNOKSA-N 1 3 316.489 3.351 10 0 DGAEHO CC(C)[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000569813041 315605740 /nfs/dbraw/zinc/60/57/40/315605740.db2.gz NDRPSEQMTSZWKJ-LJQANCHMSA-N 1 3 316.489 3.038 10 0 DGAEHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000576928700 316183283 /nfs/dbraw/zinc/18/32/83/316183283.db2.gz FWPHRAKCGKSKHU-UHFFFAOYSA-N 1 3 316.449 3.222 10 0 DGAEHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000576928700 316183288 /nfs/dbraw/zinc/18/32/88/316183288.db2.gz FWPHRAKCGKSKHU-UHFFFAOYSA-N 1 3 316.449 3.222 10 0 DGAEHO COCC[N@H+](C)CCCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180014121 323219927 /nfs/dbraw/zinc/21/99/27/323219927.db2.gz TZDPCKQQLOSTHF-QGZVFWFLSA-N 1 3 310.869 3.349 10 0 DGAEHO COCC[N@@H+](C)CCCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180014121 323219929 /nfs/dbraw/zinc/21/99/29/323219929.db2.gz TZDPCKQQLOSTHF-QGZVFWFLSA-N 1 3 310.869 3.349 10 0 DGAEHO CC[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397512992 323681519 /nfs/dbraw/zinc/68/15/19/323681519.db2.gz QCHFMTFJLFVWFQ-RTBURBONSA-N 1 3 316.489 3.182 10 0 DGAEHO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(OCCN(C)C)c1 ZINC000187863786 533905564 /nfs/dbraw/zinc/90/55/64/533905564.db2.gz OWCXIUSARNJUOS-MAUKXSAKSA-N 1 3 320.477 3.235 10 0 DGAEHO c1ccc(COCCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069086 546533369 /nfs/dbraw/zinc/53/33/69/546533369.db2.gz QVMQYZCYOPJPGH-MOPGFXCFSA-N 1 3 302.462 3.200 10 0 DGAEHO c1ccc(COCCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069086 546533373 /nfs/dbraw/zinc/53/33/73/546533373.db2.gz QVMQYZCYOPJPGH-MOPGFXCFSA-N 1 3 302.462 3.200 10 0 DGAEHO c1ccc(COCCCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)cc1 ZINC000339069086 546533379 /nfs/dbraw/zinc/53/33/79/546533379.db2.gz QVMQYZCYOPJPGH-MOPGFXCFSA-N 1 3 302.462 3.200 10 0 DGAEHO c1ccc(COCCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069088 546533505 /nfs/dbraw/zinc/53/35/05/546533505.db2.gz QVMQYZCYOPJPGH-OALUTQOASA-N 1 3 302.462 3.200 10 0 DGAEHO c1ccc(COCCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069088 546533514 /nfs/dbraw/zinc/53/35/14/546533514.db2.gz QVMQYZCYOPJPGH-OALUTQOASA-N 1 3 302.462 3.200 10 0 DGAEHO c1ccc(COCCCC[NH2+][C@H]2CCN3CCC[C@H]3C2)cc1 ZINC000339069088 546533519 /nfs/dbraw/zinc/53/35/19/546533519.db2.gz QVMQYZCYOPJPGH-OALUTQOASA-N 1 3 302.462 3.200 10 0 DGAEHO C[C@@H](CC1CCC1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397511961 546761951 /nfs/dbraw/zinc/76/19/51/546761951.db2.gz OOYSFLZAORLNOW-KRWDZBQOSA-N 1 3 316.489 3.182 10 0 DGAEHO C[C@]1(CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068680 655768890 /nfs/dbraw/zinc/76/88/90/655768890.db2.gz RVDLTCVMNDIZHN-RYRKJORJSA-N 1 3 322.518 3.416 10 0 DGAEHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1sccc1Br ZINC000713115678 661190245 /nfs/dbraw/zinc/19/02/45/661190245.db2.gz IIKMYACQCIVKMP-ZYHUDNBSSA-N 1 3 317.296 3.160 10 0 DGAEHO CC(C)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620029 661224990 /nfs/dbraw/zinc/22/49/90/661224990.db2.gz KHUXOTOWHXLXQM-ZGXWSNOMSA-N 1 3 316.489 3.036 10 0 DGAEHO COCC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716620378 661225202 /nfs/dbraw/zinc/22/52/02/661225202.db2.gz MOURXUNBNFVFNM-KUZRIEKOSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716674625 661226795 /nfs/dbraw/zinc/22/67/95/661226795.db2.gz ZBIBVQRDGSAUPT-RDGPPVDQSA-N 1 3 302.462 3.054 10 0 DGAEHO C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716688842 661227662 /nfs/dbraw/zinc/22/76/62/661227662.db2.gz BXDMVSDVRWJXIA-BVBHFADKSA-N 1 3 316.489 3.179 10 0 DGAEHO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)(C)O ZINC000716703079 661227716 /nfs/dbraw/zinc/22/77/16/661227716.db2.gz WZKVZLKBSLBGQJ-ZSYWTGECSA-N 1 3 316.489 3.179 10 0 DGAEHO COC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000716730483 661228024 /nfs/dbraw/zinc/22/80/24/661228024.db2.gz XEBISAJKUVSWPS-FHWLQOOXSA-N 1 3 314.473 3.198 10 0 DGAEHO CCCn1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000180039114 432076554 /nfs/dbraw/zinc/07/65/54/432076554.db2.gz CNYOGFQIQPARDT-UHFFFAOYSA-N 1 3 318.509 3.381 10 0 DGAEHO c1cc(CCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033395 237024208 /nfs/dbraw/zinc/02/42/08/237024208.db2.gz BRYJPBIDJOPVCN-MOPGFXCFSA-N 1 3 314.473 3.018 10 0 DGAEHO Cc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)ccn1 ZINC000449403926 240180460 /nfs/dbraw/zinc/18/04/60/240180460.db2.gz SEQVMGKHHPNVKL-NJDAHSKKSA-N 1 3 321.468 3.390 10 0 DGAEHO Cc1cc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)ccn1 ZINC000449403927 240180799 /nfs/dbraw/zinc/18/07/99/240180799.db2.gz SEQVMGKHHPNVKL-PCCBWWKXSA-N 1 3 321.468 3.390 10 0 DGAEHO CCC[NH+]1CCC(CN[C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000122781085 284225332 /nfs/dbraw/zinc/22/53/32/284225332.db2.gz IZQVWNFJKDNLBU-HNNXBMFYSA-N 1 3 320.477 3.476 10 0 DGAEHO CC(C)=CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106127806 194188196 /nfs/dbraw/zinc/18/81/96/194188196.db2.gz UQLSEUZVTONOMP-FQEVSTJZSA-N 1 3 316.489 3.330 10 0 DGAEHO CC(C)=CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106127806 194188198 /nfs/dbraw/zinc/18/81/98/194188198.db2.gz UQLSEUZVTONOMP-FQEVSTJZSA-N 1 3 316.489 3.330 10 0 DGAEHO Cc1nc2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261819343 285193465 /nfs/dbraw/zinc/19/34/65/285193465.db2.gz IGAGUFPDNWEVQC-ZNMIVQPWSA-N 1 3 301.459 3.164 10 0 DGAEHO c1cncc(C[N@H+]2C[C@@H]3CCC[C@H](CNc4ccncc4)[C@@H]3C2)c1 ZINC000253601749 257104547 /nfs/dbraw/zinc/10/45/47/257104547.db2.gz DXABWUKLVGZTBK-HBFSDRIKSA-N 1 3 322.456 3.437 10 0 DGAEHO c1cncc(C[N@@H+]2C[C@@H]3CCC[C@H](CNc4ccncc4)[C@@H]3C2)c1 ZINC000253601749 257104549 /nfs/dbraw/zinc/10/45/49/257104549.db2.gz DXABWUKLVGZTBK-HBFSDRIKSA-N 1 3 322.456 3.437 10 0 DGAEHO c1ccc2c(c1)CO[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000629511756 400951249 /nfs/dbraw/zinc/95/12/49/400951249.db2.gz AIVBAVGOAOLUBO-ZGXWSNOMSA-N 1 3 314.473 3.028 10 0 DGAEHO c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c2c(c1)CNCC2 ZINC000635009729 401401911 /nfs/dbraw/zinc/40/19/11/401401911.db2.gz KHOYKKCAMCZPTM-ATZDWAIDSA-N 1 3 314.473 3.017 10 0 DGAEHO C[C@H](N[C@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019567 401405482 /nfs/dbraw/zinc/40/54/82/401405482.db2.gz IACUKVVVLVAFIN-SXLOBPIMSA-N 1 3 315.505 3.019 10 0 DGAEHO c1[nH]nc2cccc(CNCc3ccc(C[NH+]4CCCC4)cc3)c12 ZINC000623343331 401494958 /nfs/dbraw/zinc/49/49/58/401494958.db2.gz MOVGAXYZQSFQPK-UHFFFAOYSA-N 1 3 320.440 3.449 10 0 DGAEHO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000191091974 165230565 /nfs/dbraw/zinc/23/05/65/165230565.db2.gz BMNHCRNGTATUNU-VDZJLULYSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@H](O)CC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191091974 165230569 /nfs/dbraw/zinc/23/05/69/165230569.db2.gz BMNHCRNGTATUNU-VDZJLULYSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@H](O)CC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000191091974 165230572 /nfs/dbraw/zinc/23/05/72/165230572.db2.gz BMNHCRNGTATUNU-VDZJLULYSA-N 1 3 308.510 3.170 10 0 DGAEHO Cc1cc(-n2ccnc2)ccc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000192056065 165280427 /nfs/dbraw/zinc/28/04/27/165280427.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 1 3 312.461 3.095 10 0 DGAEHO Cc1cc(-n2ccnc2)ccc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000192056065 165280428 /nfs/dbraw/zinc/28/04/28/165280428.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 1 3 312.461 3.095 10 0 DGAEHO CC(C)(O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269053957 432153823 /nfs/dbraw/zinc/15/38/23/432153823.db2.gz RSPXUZBDKYHWAM-OALUTQOASA-N 1 3 316.489 3.134 10 0 DGAEHO CC(C)(O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269053957 432153825 /nfs/dbraw/zinc/15/38/25/432153825.db2.gz RSPXUZBDKYHWAM-OALUTQOASA-N 1 3 316.489 3.134 10 0 DGAEHO c1[nH]nc2c1[C@@H](NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000367618150 271053320 /nfs/dbraw/zinc/05/33/20/271053320.db2.gz RTKPJKXNWNJMDB-SFHVURJKSA-N 1 3 310.445 3.173 10 0 DGAEHO Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368058312 271126638 /nfs/dbraw/zinc/12/66/38/271126638.db2.gz HKKCWHIQBTUOKM-XLIONFOSSA-N 1 3 309.457 3.390 10 0 DGAEHO Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368058310 271127275 /nfs/dbraw/zinc/12/72/75/271127275.db2.gz HKKCWHIQBTUOKM-FXAWDEMLSA-N 1 3 309.457 3.390 10 0 DGAEHO CCn1cc(CN2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)cn1 ZINC000014953072 431598388 /nfs/dbraw/zinc/59/83/88/431598388.db2.gz QSALWARIKSSENW-IBGZPJMESA-N 1 3 318.509 3.093 10 0 DGAEHO COc1ccc([C@@H]2C[C@H](C)N(CCC[NH+]3CCCC3)C2)cc1 ZINC000118998702 431632977 /nfs/dbraw/zinc/63/29/77/431632977.db2.gz HUMQMTSMXOKANL-FUHWJXTLSA-N 1 3 302.462 3.359 10 0 DGAEHO COc1ccccc1/C=C/CN1CCC(CC[NH+](C)C)CC1 ZINC000092381167 431908696 /nfs/dbraw/zinc/90/86/96/431908696.db2.gz XNEUTQYBOXCSOR-SOFGYWHQSA-N 1 3 302.462 3.372 10 0 DGAEHO C[NH+](C)CCCN[C@H](c1ccc(Br)cc1)C1CC1 ZINC000091262471 431903888 /nfs/dbraw/zinc/90/38/88/431903888.db2.gz IXJWAKQPVSRTFD-HNNXBMFYSA-N 1 3 311.267 3.442 10 0 DGAEHO CSc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000248065995 432266454 /nfs/dbraw/zinc/26/64/54/432266454.db2.gz MGBAXVPAMABZCH-CRAIPNDOSA-N 1 3 320.502 3.203 10 0 DGAEHO CSc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000248065995 432266460 /nfs/dbraw/zinc/26/64/60/432266460.db2.gz MGBAXVPAMABZCH-CRAIPNDOSA-N 1 3 320.502 3.203 10 0 DGAEHO CC(C)CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261937029 432462472 /nfs/dbraw/zinc/46/24/72/432462472.db2.gz MGSBXBHOGLBZRZ-AEFFLSMTSA-N 1 3 301.478 3.417 10 0 DGAEHO CC(C)C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCCc2cccnc21 ZINC000261937029 432462475 /nfs/dbraw/zinc/46/24/75/432462475.db2.gz MGSBXBHOGLBZRZ-AEFFLSMTSA-N 1 3 301.478 3.417 10 0 DGAEHO CC(C)C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCCc2cccnc21 ZINC000261937029 432462476 /nfs/dbraw/zinc/46/24/76/432462476.db2.gz MGSBXBHOGLBZRZ-AEFFLSMTSA-N 1 3 301.478 3.417 10 0 DGAEHO CC[C@@H](C)[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187682791 432676411 /nfs/dbraw/zinc/67/64/11/432676411.db2.gz XKVSZOCTLWZKFN-APWZRJJASA-N 1 3 304.478 3.162 10 0 DGAEHO CC[C@@H](C)[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187682791 432676414 /nfs/dbraw/zinc/67/64/14/432676414.db2.gz XKVSZOCTLWZKFN-APWZRJJASA-N 1 3 304.478 3.162 10 0 DGAEHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000234696363 432740109 /nfs/dbraw/zinc/74/01/09/432740109.db2.gz ZGUGWNSRPLWSIN-PWSUYJOCSA-N 1 3 305.249 3.398 10 0 DGAEHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430386 432829290 /nfs/dbraw/zinc/82/92/90/432829290.db2.gz NOVWRILMTWODKX-DZGCQCFKSA-N 1 3 312.404 3.450 10 0 DGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430386 432829293 /nfs/dbraw/zinc/82/92/93/432829293.db2.gz NOVWRILMTWODKX-DZGCQCFKSA-N 1 3 312.404 3.450 10 0 DGAEHO CCOc1ccc(OCCN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245444833 432831542 /nfs/dbraw/zinc/83/15/42/432831542.db2.gz YKAYGJNABXNCDF-QFBILLFUSA-N 1 3 320.477 3.126 10 0 DGAEHO CCOc1ccc(OCCN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000245444833 432831545 /nfs/dbraw/zinc/83/15/45/432831545.db2.gz YKAYGJNABXNCDF-QFBILLFUSA-N 1 3 320.477 3.126 10 0 DGAEHO CO[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000373054520 433079662 /nfs/dbraw/zinc/07/96/62/433079662.db2.gz HPBMZYXTFYRAAQ-YSTOQKLRSA-N 1 3 316.489 3.443 10 0 DGAEHO CO[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000373054520 433079671 /nfs/dbraw/zinc/07/96/71/433079671.db2.gz HPBMZYXTFYRAAQ-YSTOQKLRSA-N 1 3 316.489 3.443 10 0 DGAEHO C(N1CCCC12CCC2)C1(C[N@@H+]2CCCC23CCC3)COC1 ZINC000373095654 433091139 /nfs/dbraw/zinc/09/11/39/433091139.db2.gz UBTWIDWODUUOSD-UHFFFAOYSA-N 1 3 304.478 3.040 10 0 DGAEHO C(N1CCCC12CCC2)C1(C[N@H+]2CCCC23CCC3)COC1 ZINC000373095654 433091145 /nfs/dbraw/zinc/09/11/45/433091145.db2.gz UBTWIDWODUUOSD-UHFFFAOYSA-N 1 3 304.478 3.040 10 0 DGAEHO Cc1cc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000376058395 433654683 /nfs/dbraw/zinc/65/46/83/433654683.db2.gz PPZNUXSRBJYHRB-HNAYVOBHSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000376058395 433654690 /nfs/dbraw/zinc/65/46/90/433654690.db2.gz PPZNUXSRBJYHRB-HNAYVOBHSA-N 1 3 313.445 3.026 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)O2)cc1 ZINC000377579101 433920711 /nfs/dbraw/zinc/92/07/11/433920711.db2.gz HYGCPDAWXKRZAD-INDMIFKZSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)O2)cc1 ZINC000377579101 433920719 /nfs/dbraw/zinc/92/07/19/433920719.db2.gz HYGCPDAWXKRZAD-INDMIFKZSA-N 1 3 300.446 3.123 10 0 DGAEHO c1cc(-c2nc(CNCC[C@H]3CCC[NH2+]C3)cs2)cs1 ZINC000414853237 433884606 /nfs/dbraw/zinc/88/46/06/433884606.db2.gz RJUJPDBOCGQQAH-GFCCVEGCSA-N 1 3 307.488 3.351 10 0 DGAEHO c1ccc([C@@H]2CCCC[C@@H](NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000415046202 433974506 /nfs/dbraw/zinc/97/45/06/433974506.db2.gz UNDSGBMGDRZTLX-QRVBRYPASA-N 1 3 302.462 3.071 10 0 DGAEHO CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397484340 293846451 /nfs/dbraw/zinc/84/64/51/293846451.db2.gz ADSAIVQOXOZBHE-SJORKVTESA-N 1 3 304.478 3.038 10 0 DGAEHO CC(C)CCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397579972 293847136 /nfs/dbraw/zinc/84/71/36/293847136.db2.gz FGCTYKIZBTUNQN-UHFFFAOYSA-N 1 3 304.478 3.039 10 0 DGAEHO Cc1cccnc1CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295068204 434177833 /nfs/dbraw/zinc/17/78/33/434177833.db2.gz QUVMALBYGHDKTJ-AZUAARDMSA-N 1 3 323.484 3.433 10 0 DGAEHO Cc1cccnc1CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295068204 434177843 /nfs/dbraw/zinc/17/78/43/434177843.db2.gz QUVMALBYGHDKTJ-AZUAARDMSA-N 1 3 323.484 3.433 10 0 DGAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397715502 434442043 /nfs/dbraw/zinc/44/20/43/434442043.db2.gz QLEXYDFVXLWNPI-AEFFLSMTSA-N 1 3 316.489 3.038 10 0 DGAEHO c1ccc(C2(NCc3ccc4c(c3)C[NH2+]CC4)CCOCC2)cc1 ZINC000521054412 294855254 /nfs/dbraw/zinc/85/52/54/294855254.db2.gz AWDACHPCAOAKRS-UHFFFAOYSA-N 1 3 322.452 3.128 10 0 DGAEHO CC(C)C[NH+]1CCC(NC2CC(OCc3ccccc3)C2)CC1 ZINC000463569291 434966342 /nfs/dbraw/zinc/96/63/42/434966342.db2.gz LXDNYCAWIFGSMK-UHFFFAOYSA-N 1 3 316.489 3.444 10 0 DGAEHO c1ccc([C@@H]2C[C@@H](Nc3ccc4c(c3)OCCNC4)CC[NH2+]2)cc1 ZINC000530246247 313347526 /nfs/dbraw/zinc/34/75/26/313347526.db2.gz DABNRQJYIDGJNK-OALUTQOASA-N 1 3 323.440 3.074 10 0 DGAEHO CC1=CCN(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000545161005 314229257 /nfs/dbraw/zinc/22/92/57/314229257.db2.gz JRUVZNYXUMBLLG-AZUAARDMSA-N 1 3 319.537 3.271 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CNC3CC[NH+](CC4CC4)CC3)O2)cc1 ZINC000577981505 316291210 /nfs/dbraw/zinc/29/12/10/316291210.db2.gz UXNYORKINPNRRB-WOJBJXKFSA-N 1 3 314.473 3.371 10 0 DGAEHO COCC[N@H+](C)CCCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180014137 323219689 /nfs/dbraw/zinc/21/96/89/323219689.db2.gz TZDPCKQQLOSTHF-KRWDZBQOSA-N 1 3 310.869 3.349 10 0 DGAEHO COCC[N@@H+](C)CCCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180014137 323219691 /nfs/dbraw/zinc/21/96/91/323219691.db2.gz TZDPCKQQLOSTHF-KRWDZBQOSA-N 1 3 310.869 3.349 10 0 DGAEHO C[C@H](NCCOC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381305400 546739318 /nfs/dbraw/zinc/73/93/18/546739318.db2.gz JSFJQWXHQWNWNY-FUHWJXTLSA-N 1 3 304.478 3.302 10 0 DGAEHO C[C@H](NCCOC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381305400 546739325 /nfs/dbraw/zinc/73/93/25/546739325.db2.gz JSFJQWXHQWNWNY-FUHWJXTLSA-N 1 3 304.478 3.302 10 0 DGAEHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000482511990 546911393 /nfs/dbraw/zinc/91/13/93/546911393.db2.gz QFHCLROTVYYDBN-HBFSDRIKSA-N 1 3 317.521 3.217 10 0 DGAEHO CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619030 661224874 /nfs/dbraw/zinc/22/48/74/661224874.db2.gz AOWOVLOYMVETKX-LWYYNNOASA-N 1 3 316.489 3.036 10 0 DGAEHO CCOCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674250 661226602 /nfs/dbraw/zinc/22/66/02/661226602.db2.gz WQTXINJDXVBMML-FHWLQOOXSA-N 1 3 302.462 3.056 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)[C@H](C)O1 ZINC000716688849 661227701 /nfs/dbraw/zinc/22/77/01/661227701.db2.gz BXTUFQLLWBQDIS-MPDWGWIWSA-N 1 3 314.473 3.195 10 0 DGAEHO CC[C@@](C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716728277 661227946 /nfs/dbraw/zinc/22/79/46/661227946.db2.gz OEVDDOZSZCXEOY-YRPNKDGESA-N 1 3 316.489 3.444 10 0 DGAEHO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000187363732 661284922 /nfs/dbraw/zinc/28/49/22/661284922.db2.gz NMWMEXQCMLHMHH-YPMHNXCESA-N 1 3 311.813 3.163 10 0 DGAEHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000187363732 661284924 /nfs/dbraw/zinc/28/49/24/661284924.db2.gz NMWMEXQCMLHMHH-YPMHNXCESA-N 1 3 311.813 3.163 10 0 DGAEHO CCN1CCC([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000379638576 685148946 /nfs/dbraw/zinc/14/89/46/685148946.db2.gz ACEVPQWQWMHUKS-HXUWFJFHSA-N 1 3 315.505 3.115 10 0 DGAEHO CCOc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000127161359 284329522 /nfs/dbraw/zinc/32/95/22/284329522.db2.gz QYUJRVUSFLDFCS-UHFFFAOYSA-N 1 3 302.462 3.393 10 0 DGAEHO CN([C@@H](C[NH3+])c1cccc(Cl)c1Cl)C1CCN(C)CC1 ZINC000020017049 182178994 /nfs/dbraw/zinc/17/89/94/182178994.db2.gz DSQRQHBYMZBLKH-AWEZNQCLSA-N 1 3 316.276 3.019 10 0 DGAEHO CN([C@H](C[NH3+])c1cccc(Cl)c1Cl)C1CCN(C)CC1 ZINC000020017052 182179154 /nfs/dbraw/zinc/17/91/54/182179154.db2.gz DSQRQHBYMZBLKH-CQSZACIVSA-N 1 3 316.276 3.019 10 0 DGAEHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493923365 246097203 /nfs/dbraw/zinc/09/72/03/246097203.db2.gz BCFBYJLGOPBHSO-BMHOQUIDSA-N 1 3 302.462 3.197 10 0 DGAEHO C[NH+](C)[C@H]1CCC[C@H](NC2CC(OCc3ccccc3)C2)C1 ZINC000493923365 246097207 /nfs/dbraw/zinc/09/72/07/246097207.db2.gz BCFBYJLGOPBHSO-BMHOQUIDSA-N 1 3 302.462 3.197 10 0 DGAEHO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000249129893 285058519 /nfs/dbraw/zinc/05/85/19/285058519.db2.gz USPIEEITWOSUPT-VDZJLULYSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@@H](O)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249129893 285058520 /nfs/dbraw/zinc/05/85/20/285058520.db2.gz USPIEEITWOSUPT-VDZJLULYSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@@H](O)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249129893 285058524 /nfs/dbraw/zinc/05/85/24/285058524.db2.gz USPIEEITWOSUPT-VDZJLULYSA-N 1 3 308.510 3.170 10 0 DGAEHO Cc1ccc2c(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn(C)c2c1 ZINC000249171804 285061583 /nfs/dbraw/zinc/06/15/83/285061583.db2.gz BWYAJDOXHSTMKN-ROUUACIJSA-N 1 3 311.473 3.246 10 0 DGAEHO Cc1ccc2c(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)cn(C)c2c1 ZINC000249171804 285061584 /nfs/dbraw/zinc/06/15/84/285061584.db2.gz BWYAJDOXHSTMKN-ROUUACIJSA-N 1 3 311.473 3.246 10 0 DGAEHO COc1ccc([C@@H](C)C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261821594 285193237 /nfs/dbraw/zinc/19/32/37/285193237.db2.gz XYFMGUAMLFDGQR-SCWSEQNSSA-N 1 3 324.468 3.473 10 0 DGAEHO COc1ccc([C@@H](C)C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261821594 285193242 /nfs/dbraw/zinc/19/32/42/285193242.db2.gz XYFMGUAMLFDGQR-SCWSEQNSSA-N 1 3 324.468 3.473 10 0 DGAEHO c1ccc(CN2CCCC[C@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000289801705 221236093 /nfs/dbraw/zinc/23/60/93/221236093.db2.gz MFEUYYPIQBTRJP-HXUWFJFHSA-N 1 3 316.489 3.305 10 0 DGAEHO c1ccc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)nc1 ZINC000358319814 286030652 /nfs/dbraw/zinc/03/06/52/286030652.db2.gz PCSPGBKHFPOQEX-UHFFFAOYSA-N 1 3 301.478 3.401 10 0 DGAEHO c1ccc(CCCNC2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000358319814 286030655 /nfs/dbraw/zinc/03/06/55/286030655.db2.gz PCSPGBKHFPOQEX-UHFFFAOYSA-N 1 3 301.478 3.401 10 0 DGAEHO CCN(C)c1ccc(CN2CCC(C[NH+](CC)CC)CC2)cn1 ZINC000361508611 286682721 /nfs/dbraw/zinc/68/27/21/286682721.db2.gz NSJHTSUMNLSSHQ-UHFFFAOYSA-N 1 3 318.509 3.092 10 0 DGAEHO c1ccc(COC2CC[NH+](CCCN3CCCC3)CC2)cc1 ZINC000193469607 165326295 /nfs/dbraw/zinc/32/62/95/165326295.db2.gz RYBOUFKAGXFZQC-UHFFFAOYSA-N 1 3 302.462 3.154 10 0 DGAEHO c1csc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)c1 ZINC000194076588 165336435 /nfs/dbraw/zinc/33/64/35/165336435.db2.gz WXVRPNMJWDFRGN-DJIMGWMZSA-N 1 3 318.486 3.264 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000246809531 432166723 /nfs/dbraw/zinc/16/67/23/432166723.db2.gz ANDNTVRQKLMBSN-CJNGLKHVSA-N 1 3 308.853 3.485 10 0 DGAEHO c1[nH]nc2c1[C@H](NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000367618148 271052254 /nfs/dbraw/zinc/05/22/54/271052254.db2.gz RTKPJKXNWNJMDB-GOSISDBHSA-N 1 3 310.445 3.173 10 0 DGAEHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CC12CCSCC2 ZINC000423546884 275395352 /nfs/dbraw/zinc/39/53/52/275395352.db2.gz KUJBWKCKDUMGOX-MWDXBVQZSA-N 1 3 308.535 3.420 10 0 DGAEHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071569 276212424 /nfs/dbraw/zinc/21/24/24/276212424.db2.gz FZXBCFSDRTUJGA-KBXCAEBGSA-N 1 3 302.462 3.349 10 0 DGAEHO CC[N@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071569 276212425 /nfs/dbraw/zinc/21/24/25/276212425.db2.gz FZXBCFSDRTUJGA-KBXCAEBGSA-N 1 3 302.462 3.349 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071569 276212427 /nfs/dbraw/zinc/21/24/27/276212427.db2.gz FZXBCFSDRTUJGA-KBXCAEBGSA-N 1 3 302.462 3.349 10 0 DGAEHO COc1ccc([C@@H]2C[C@@H](C)N(CCC[NH+]3CCCC3)C2)cc1 ZINC000118998616 431632472 /nfs/dbraw/zinc/63/24/72/431632472.db2.gz HUMQMTSMXOKANL-SJLPKXTDSA-N 1 3 302.462 3.359 10 0 DGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097032 431783663 /nfs/dbraw/zinc/78/36/63/431783663.db2.gz UMMBGKWFQUKXEG-APWZRJJASA-N 1 3 312.461 3.034 10 0 DGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097032 431783670 /nfs/dbraw/zinc/78/36/70/431783670.db2.gz UMMBGKWFQUKXEG-APWZRJJASA-N 1 3 312.461 3.034 10 0 DGAEHO Cc1nccn1-c1ccc([C@H](C)NCC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000183678939 432316222 /nfs/dbraw/zinc/31/62/22/432316222.db2.gz IYMJLZGOHQDDRU-YJBOKZPZSA-N 1 3 312.461 3.316 10 0 DGAEHO Cc1nccn1-c1ccc([C@H](C)NCC[C@@H]2CCC[N@H+]2C)cc1 ZINC000183678939 432316225 /nfs/dbraw/zinc/31/62/25/432316225.db2.gz IYMJLZGOHQDDRU-YJBOKZPZSA-N 1 3 312.461 3.316 10 0 DGAEHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000183678939 432316229 /nfs/dbraw/zinc/31/62/29/432316229.db2.gz IYMJLZGOHQDDRU-YJBOKZPZSA-N 1 3 312.461 3.316 10 0 DGAEHO Cc1ccc2cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc2n1 ZINC000249850561 432360611 /nfs/dbraw/zinc/36/06/11/432360611.db2.gz PINHYZFHXHGBEI-AZUAARDMSA-N 1 3 309.457 3.459 10 0 DGAEHO Cc1ccc2cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2n1 ZINC000249850561 432360616 /nfs/dbraw/zinc/36/06/16/432360616.db2.gz PINHYZFHXHGBEI-AZUAARDMSA-N 1 3 309.457 3.459 10 0 DGAEHO Cc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)ccc2n1 ZINC000249850561 432360622 /nfs/dbraw/zinc/36/06/22/432360622.db2.gz PINHYZFHXHGBEI-AZUAARDMSA-N 1 3 309.457 3.459 10 0 DGAEHO Cc1ccc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)ccc2n1 ZINC000249850561 432360626 /nfs/dbraw/zinc/36/06/26/432360626.db2.gz PINHYZFHXHGBEI-AZUAARDMSA-N 1 3 309.457 3.459 10 0 DGAEHO COCCC1(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CCCCC1 ZINC000249846626 432360972 /nfs/dbraw/zinc/36/09/72/432360972.db2.gz OLQXXOILIUYQSS-QZTJIDSGSA-N 1 3 308.510 3.390 10 0 DGAEHO COCCC1(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CCCCC1 ZINC000249846626 432360974 /nfs/dbraw/zinc/36/09/74/432360974.db2.gz OLQXXOILIUYQSS-QZTJIDSGSA-N 1 3 308.510 3.390 10 0 DGAEHO CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(Br)cc1 ZINC000261589539 432433316 /nfs/dbraw/zinc/43/33/16/432433316.db2.gz WIOGTRGYIVJQIO-UGFHNGPFSA-N 1 3 311.267 3.488 10 0 DGAEHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000192784928 432413101 /nfs/dbraw/zinc/41/31/01/432413101.db2.gz QKSPJNFILKFUFP-INIZCTEOSA-N 1 3 323.912 3.407 10 0 DGAEHO CN(c1ccccc1)C1CC[NH+](CCCN2CCCC2)CC1 ZINC000162220677 432816758 /nfs/dbraw/zinc/81/67/58/432816758.db2.gz WDOSEARDUGHVDS-UHFFFAOYSA-N 1 3 301.478 3.073 10 0 DGAEHO CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000162901064 432837790 /nfs/dbraw/zinc/83/77/90/432837790.db2.gz HHXRNAVNFOKGPY-LJQANCHMSA-N 1 3 312.461 3.257 10 0 DGAEHO Cn1ncc2c1CCC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162942444 432838988 /nfs/dbraw/zinc/83/89/88/432838988.db2.gz UGUWVUGIJPVGLZ-LJQANCHMSA-N 1 3 324.472 3.183 10 0 DGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000290508246 433069937 /nfs/dbraw/zinc/06/99/37/433069937.db2.gz YKVQUBYFYHRWHX-ZGXWSNOMSA-N 1 3 314.473 3.056 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000377579103 433918795 /nfs/dbraw/zinc/91/87/95/433918795.db2.gz HYGCPDAWXKRZAD-WJFTUGDTSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000377579103 433918802 /nfs/dbraw/zinc/91/88/02/433918802.db2.gz HYGCPDAWXKRZAD-WJFTUGDTSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc(COCCCN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000309976911 434102102 /nfs/dbraw/zinc/10/21/02/434102102.db2.gz RRVRNLWASKNQGQ-RBUKOAKNSA-N 1 3 302.462 3.057 10 0 DGAEHO Cc1cccnc1CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295068214 434179701 /nfs/dbraw/zinc/17/97/01/434179701.db2.gz QUVMALBYGHDKTJ-UYAOXDASSA-N 1 3 323.484 3.433 10 0 DGAEHO Cc1cccnc1CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295068214 434179716 /nfs/dbraw/zinc/17/97/16/434179716.db2.gz QUVMALBYGHDKTJ-UYAOXDASSA-N 1 3 323.484 3.433 10 0 DGAEHO Brc1ccc([C@@H]([NH2+]C2CCNCC2)C2CC2)cc1 ZINC000423187105 434272309 /nfs/dbraw/zinc/27/23/09/434272309.db2.gz OZAWNTPZBCKZKQ-HNNXBMFYSA-N 1 3 309.251 3.242 10 0 DGAEHO CC[C@](C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)OC ZINC000319950267 434233386 /nfs/dbraw/zinc/23/33/86/434233386.db2.gz VDQOAVIHXRUDHI-IYWMVGAKSA-N 1 3 316.489 3.302 10 0 DGAEHO Brc1ccc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423207043 434287129 /nfs/dbraw/zinc/28/71/29/434287129.db2.gz GKXBAEHIXXEQKJ-LRDDRELGSA-N 1 3 323.278 3.489 10 0 DGAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)C ZINC000397487736 434435233 /nfs/dbraw/zinc/43/52/33/434435233.db2.gz DWGYTOZYARHTHC-SFHVURJKSA-N 1 3 304.478 3.038 10 0 DGAEHO C[N@@H+]1CCCC[C@H]1CCN1CCC(COc2ccccn2)CC1 ZINC000372016662 434785962 /nfs/dbraw/zinc/78/59/62/434785962.db2.gz HCLVNPOIYQOUPP-SFHVURJKSA-N 1 3 317.477 3.047 10 0 DGAEHO C[N@H+]1CCCC[C@H]1CCN1CCC(COc2ccccn2)CC1 ZINC000372016662 434785968 /nfs/dbraw/zinc/78/59/68/434785968.db2.gz HCLVNPOIYQOUPP-SFHVURJKSA-N 1 3 317.477 3.047 10 0 DGAEHO c1ccc(OCCCCCN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000579711716 435177076 /nfs/dbraw/zinc/17/70/76/435177076.db2.gz GGTVZRWXYDTOHV-IBGZPJMESA-N 1 3 302.462 3.311 10 0 DGAEHO c1ccc(OCCCCC[N@@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC000579711716 435177078 /nfs/dbraw/zinc/17/70/78/435177078.db2.gz GGTVZRWXYDTOHV-IBGZPJMESA-N 1 3 302.462 3.311 10 0 DGAEHO c1ccc(OCCCCC[N@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC000579711716 435177079 /nfs/dbraw/zinc/17/70/79/435177079.db2.gz GGTVZRWXYDTOHV-IBGZPJMESA-N 1 3 302.462 3.311 10 0 DGAEHO CC[NH+](CC)CC1CCN(CCOc2cccc(OC)c2)CC1 ZINC000443625543 528094322 /nfs/dbraw/zinc/09/43/22/528094322.db2.gz GRLATNCOHIMXAI-UHFFFAOYSA-N 1 3 320.477 3.128 10 0 DGAEHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000482511991 546911458 /nfs/dbraw/zinc/91/14/58/546911458.db2.gz QFHCLROTVYYDBN-WSTZPKSXSA-N 1 3 317.521 3.217 10 0 DGAEHO CCN1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677418 574556525 /nfs/dbraw/zinc/55/65/25/574556525.db2.gz PKDCJHRYMUETLZ-MRXNPFEDSA-N 1 3 302.462 3.222 10 0 DGAEHO COC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716620032 661225092 /nfs/dbraw/zinc/22/50/92/661225092.db2.gz KKKCLGCPCQWEMR-YRPNKDGESA-N 1 3 316.489 3.300 10 0 DGAEHO CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619607 661225111 /nfs/dbraw/zinc/22/51/11/661225111.db2.gz FXAUQQXZQCIIEO-YRPNKDGESA-N 1 3 316.489 3.180 10 0 DGAEHO CO[C@H](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716670709 661226118 /nfs/dbraw/zinc/22/61/18/661226118.db2.gz DBEBDSKXDALESC-LULLPPNCSA-N 1 3 302.462 3.054 10 0 DGAEHO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C[C@H](C)O ZINC000716680301 661226489 /nfs/dbraw/zinc/22/64/89/661226489.db2.gz HVYHKFUKUPPXAL-QVHQYWGISA-N 1 3 316.489 3.036 10 0 DGAEHO CC[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716674623 661226576 /nfs/dbraw/zinc/22/65/76/661226576.db2.gz ZBIBVQRDGSAUPT-CADBVGFASA-N 1 3 302.462 3.054 10 0 DGAEHO CC[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716674627 661226722 /nfs/dbraw/zinc/22/67/22/661226722.db2.gz ZBIBVQRDGSAUPT-VJANTYMQSA-N 1 3 302.462 3.054 10 0 DGAEHO C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716683831 661227376 /nfs/dbraw/zinc/22/73/76/661227376.db2.gz SPNYNDCGCYCRSK-HTDHLNIYSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOC1 ZINC000716682202 661227516 /nfs/dbraw/zinc/22/75/16/661227516.db2.gz NXUNVYDNFNBCAA-LWYYNNOASA-N 1 3 314.473 3.056 10 0 DGAEHO COC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716699878 661227555 /nfs/dbraw/zinc/22/75/55/661227555.db2.gz MOURXUNBNFVFNM-OMZCGLGVSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H](O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681580 661227573 /nfs/dbraw/zinc/22/75/73/661227573.db2.gz MFECBEKTEBGYSH-LWYYNNOASA-N 1 3 316.489 3.180 10 0 DGAEHO COCCN1CCC[C@@]2(CC[N@H+](C/C(C)=C\c3ccco3)C2)C1 ZINC000229468796 659261809 /nfs/dbraw/zinc/26/18/09/659261809.db2.gz WQNJPFGVFFUXFW-BLMOFCDVSA-N 1 3 318.461 3.117 10 0 DGAEHO COCCN1CCC[C@@]2(CC[N@@H+](C/C(C)=C\c3ccco3)C2)C1 ZINC000229468796 659261812 /nfs/dbraw/zinc/26/18/12/659261812.db2.gz WQNJPFGVFFUXFW-BLMOFCDVSA-N 1 3 318.461 3.117 10 0 DGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCSC4)[C@H]3C2)cc1 ZINC000278745192 214371628 /nfs/dbraw/zinc/37/16/28/214371628.db2.gz MTDWWWCRMSPKJA-XWSJACJDSA-N 1 3 316.514 3.240 10 0 DGAEHO c1cn(-c2ccc(CN3CCC(C[NH+]4CCCC4)CC3)cc2)cn1 ZINC000103143661 432005160 /nfs/dbraw/zinc/00/51/60/432005160.db2.gz WSIFGWYAXMIHOD-UHFFFAOYSA-N 1 3 324.472 3.180 10 0 DGAEHO C[C@H]1C[C@H](NCCc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000179454928 199038547 /nfs/dbraw/zinc/03/85/47/199038547.db2.gz NOVYGLISCXYFGQ-XJKSGUPXSA-N 1 3 317.408 3.096 10 0 DGAEHO C[C@H]1C[C@H](NCCc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000179454928 199038549 /nfs/dbraw/zinc/03/85/49/199038549.db2.gz NOVYGLISCXYFGQ-XJKSGUPXSA-N 1 3 317.408 3.096 10 0 DGAEHO C[NH+](C)CCC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179551025 199054218 /nfs/dbraw/zinc/05/42/18/199054218.db2.gz CTCXARIKNSITPD-UHFFFAOYSA-N 1 3 312.461 3.240 10 0 DGAEHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493923367 246096805 /nfs/dbraw/zinc/09/68/05/246096805.db2.gz BCFBYJLGOPBHSO-TXQGORRRSA-N 1 3 302.462 3.197 10 0 DGAEHO C[NH+](C)[C@@H]1CCC[C@@H](NC2CC(OCc3ccccc3)C2)C1 ZINC000493923367 246096810 /nfs/dbraw/zinc/09/68/10/246096810.db2.gz BCFBYJLGOPBHSO-TXQGORRRSA-N 1 3 302.462 3.197 10 0 DGAEHO CCSCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000393905880 400279845 /nfs/dbraw/zinc/27/98/45/400279845.db2.gz MJDLAJRUYWENCN-KZNAEPCWSA-N 1 3 304.503 3.240 10 0 DGAEHO c1ccc2c(CNCc3ccc(C[NH+]4CCCC4)cc3)n[nH]c2c1 ZINC000589638191 400313676 /nfs/dbraw/zinc/31/36/76/400313676.db2.gz OAGDUGIAEMVQOR-UHFFFAOYSA-N 1 3 320.440 3.449 10 0 DGAEHO c1ccc2c(c1)n[nH]c2CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000589638191 400313679 /nfs/dbraw/zinc/31/36/79/400313679.db2.gz OAGDUGIAEMVQOR-UHFFFAOYSA-N 1 3 320.440 3.449 10 0 DGAEHO c1cc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422805837 296602939 /nfs/dbraw/zinc/60/29/39/296602939.db2.gz JSDJVYUUBSAQKU-FUHWJXTLSA-N 1 3 314.454 3.136 10 0 DGAEHO C[C@H](CCC1CC1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000186362050 165039830 /nfs/dbraw/zinc/03/98/30/165039830.db2.gz ZWOVQWNNAVOPCQ-QGZVFWFLSA-N 1 3 307.526 3.105 10 0 DGAEHO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000191092144 432219753 /nfs/dbraw/zinc/21/97/53/432219753.db2.gz USPIEEITWOSUPT-IEZWGBDMSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@H](O)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191092144 432219758 /nfs/dbraw/zinc/21/97/58/432219758.db2.gz USPIEEITWOSUPT-IEZWGBDMSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@H](O)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000191092144 432219762 /nfs/dbraw/zinc/21/97/62/432219762.db2.gz USPIEEITWOSUPT-IEZWGBDMSA-N 1 3 308.510 3.170 10 0 DGAEHO CC(C)CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261937033 277380836 /nfs/dbraw/zinc/38/08/36/277380836.db2.gz MGSBXBHOGLBZRZ-WMZOPIPTSA-N 1 3 301.478 3.417 10 0 DGAEHO CC(C)C[N@H+](C[C@H]1CCCNC1)[C@H]1CCCc2cccnc21 ZINC000261937033 277380838 /nfs/dbraw/zinc/38/08/38/277380838.db2.gz MGSBXBHOGLBZRZ-WMZOPIPTSA-N 1 3 301.478 3.417 10 0 DGAEHO CC(C)C[N@@H+](C[C@H]1CCCNC1)[C@H]1CCCc2cccnc21 ZINC000261937033 277380840 /nfs/dbraw/zinc/38/08/40/277380840.db2.gz MGSBXBHOGLBZRZ-WMZOPIPTSA-N 1 3 301.478 3.417 10 0 DGAEHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC2CCCCCC2)CC1 ZINC000120039450 431721980 /nfs/dbraw/zinc/72/19/80/431721980.db2.gz KSWNUNTZHSCMPB-LJQANCHMSA-N 1 3 307.526 3.059 10 0 DGAEHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC2CCCCCC2)CC1 ZINC000120039450 431721982 /nfs/dbraw/zinc/72/19/82/431721982.db2.gz KSWNUNTZHSCMPB-LJQANCHMSA-N 1 3 307.526 3.059 10 0 DGAEHO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(C[C@H]2CCCCN2C)CC1 ZINC000249095578 432338111 /nfs/dbraw/zinc/33/81/11/432338111.db2.gz OFGLVCMSRITILX-ZCNNSNEGSA-N 1 3 319.537 3.081 10 0 DGAEHO CC1=CCC[C@H](C)[C@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000249095578 432338113 /nfs/dbraw/zinc/33/81/13/432338113.db2.gz OFGLVCMSRITILX-ZCNNSNEGSA-N 1 3 319.537 3.081 10 0 DGAEHO CC1=CCC[C@H](C)[C@H]1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000249095578 432338120 /nfs/dbraw/zinc/33/81/20/432338120.db2.gz OFGLVCMSRITILX-ZCNNSNEGSA-N 1 3 319.537 3.081 10 0 DGAEHO CCN(CC)CCC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000191823702 432307102 /nfs/dbraw/zinc/30/71/02/432307102.db2.gz GKHOAMZGDXPNGQ-INIZCTEOSA-N 1 3 300.450 3.255 10 0 DGAEHO COc1ccc([C@H](C)C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000252733727 432389035 /nfs/dbraw/zinc/38/90/35/432389035.db2.gz BKUNYJQAHIZMKE-AYBZRNKSSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000252733727 432389039 /nfs/dbraw/zinc/38/90/39/432389039.db2.gz BKUNYJQAHIZMKE-AYBZRNKSSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc([C@H](C)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000252733727 432389044 /nfs/dbraw/zinc/38/90/44/432389044.db2.gz BKUNYJQAHIZMKE-AYBZRNKSSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc([C@H](C)CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000252733727 432389049 /nfs/dbraw/zinc/38/90/49/432389049.db2.gz BKUNYJQAHIZMKE-AYBZRNKSSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc(C)cc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261629723 432437780 /nfs/dbraw/zinc/43/77/80/432437780.db2.gz DVXNHGHKBKYETI-MOPGFXCFSA-N 1 3 310.441 3.178 10 0 DGAEHO c1ccc(OCCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000193079554 432446659 /nfs/dbraw/zinc/44/66/59/432446659.db2.gz DHFCBJICZWBXNA-UHFFFAOYSA-N 1 3 302.462 3.263 10 0 DGAEHO CCCN(C[C@@]1(C)CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000262043435 432471550 /nfs/dbraw/zinc/47/15/50/432471550.db2.gz PNDNQEJFBCUYAO-APWZRJJASA-N 1 3 317.477 3.115 10 0 DGAEHO CCCN(C[C@@]1(C)CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000262043438 432471644 /nfs/dbraw/zinc/47/16/44/432471644.db2.gz PNDNQEJFBCUYAO-LPHOPBHVSA-N 1 3 317.477 3.115 10 0 DGAEHO Cc1cccc2c1ncc(C)c2NCC1([NH+](C)C)CCOCC1 ZINC000185308153 432488916 /nfs/dbraw/zinc/48/89/16/432488916.db2.gz GXDDOZHELBVZSY-UHFFFAOYSA-N 1 3 313.445 3.374 10 0 DGAEHO CC[C@H](C)[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187682808 432675606 /nfs/dbraw/zinc/67/56/06/432675606.db2.gz XKVSZOCTLWZKFN-LPHOPBHVSA-N 1 3 304.478 3.162 10 0 DGAEHO CC[C@H](C)[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187682808 432675610 /nfs/dbraw/zinc/67/56/10/432675610.db2.gz XKVSZOCTLWZKFN-LPHOPBHVSA-N 1 3 304.478 3.162 10 0 DGAEHO Cc1ccc2c(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn(C)c2c1 ZINC000188695176 432740645 /nfs/dbraw/zinc/74/06/45/432740645.db2.gz BWYAJDOXHSTMKN-ZWKOTPCHSA-N 1 3 311.473 3.246 10 0 DGAEHO Cc1ccc2c(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cn(C)c2c1 ZINC000188695176 432740648 /nfs/dbraw/zinc/74/06/48/432740648.db2.gz BWYAJDOXHSTMKN-ZWKOTPCHSA-N 1 3 311.473 3.246 10 0 DGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440371 432832291 /nfs/dbraw/zinc/83/22/91/432832291.db2.gz UMMBGKWFQUKXEG-QFBILLFUSA-N 1 3 312.461 3.034 10 0 DGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440371 432832293 /nfs/dbraw/zinc/83/22/93/432832293.db2.gz UMMBGKWFQUKXEG-QFBILLFUSA-N 1 3 312.461 3.034 10 0 DGAEHO CCc1csc([C@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245584205 432847199 /nfs/dbraw/zinc/84/71/99/432847199.db2.gz DKWNPYYMFBIFFH-GOEBONIOSA-N 1 3 307.507 3.369 10 0 DGAEHO CCc1csc([C@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245584205 432847202 /nfs/dbraw/zinc/84/72/02/432847202.db2.gz DKWNPYYMFBIFFH-GOEBONIOSA-N 1 3 307.507 3.369 10 0 DGAEHO COc1ccc(OC)c(CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000375997247 433638527 /nfs/dbraw/zinc/63/85/27/433638527.db2.gz ACFIQDVTSQGPRJ-UHFFFAOYSA-N 1 3 318.461 3.012 10 0 DGAEHO c1[nH]nc(-c2ccccc2)c1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000373488374 293281343 /nfs/dbraw/zinc/28/13/43/293281343.db2.gz ZHFSBFGJHFOTIO-UHFFFAOYSA-N 1 3 310.445 3.183 10 0 DGAEHO CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397484336 293846131 /nfs/dbraw/zinc/84/61/31/293846131.db2.gz ADSAIVQOXOZBHE-DLBZAZTESA-N 1 3 304.478 3.038 10 0 DGAEHO O=C1CCC(C[N@@H+]2CCC[C@@H](CN3CCCCCC3)C2)CC1 ZINC000450345879 434119081 /nfs/dbraw/zinc/11/90/81/434119081.db2.gz CAVBUNVKMNNZDJ-SFHVURJKSA-N 1 3 306.494 3.334 10 0 DGAEHO O=C1CCC(C[N@H+]2CCC[C@@H](CN3CCCCCC3)C2)CC1 ZINC000450345879 434119092 /nfs/dbraw/zinc/11/90/92/434119092.db2.gz CAVBUNVKMNNZDJ-SFHVURJKSA-N 1 3 306.494 3.334 10 0 DGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)C[C@@H](C)O1 ZINC000507464648 294299439 /nfs/dbraw/zinc/29/94/39/294299439.db2.gz XZOJPDTWUFZTGD-ZAWLATJESA-N 1 3 308.510 3.434 10 0 DGAEHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)C ZINC000397487734 434438700 /nfs/dbraw/zinc/43/87/00/434438700.db2.gz DWGYTOZYARHTHC-GOSISDBHSA-N 1 3 304.478 3.038 10 0 DGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397715505 434440854 /nfs/dbraw/zinc/44/08/54/434440854.db2.gz QLEXYDFVXLWNPI-FUHWJXTLSA-N 1 3 316.489 3.038 10 0 DGAEHO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477919757 435285656 /nfs/dbraw/zinc/28/56/56/435285656.db2.gz FBVCCFQZQCZWQR-MRXNPFEDSA-N 1 3 304.478 3.338 10 0 DGAEHO COc1ccc(C[C@@H](C)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477919757 435285660 /nfs/dbraw/zinc/28/56/60/435285660.db2.gz FBVCCFQZQCZWQR-MRXNPFEDSA-N 1 3 304.478 3.338 10 0 DGAEHO COCc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134206322 312685936 /nfs/dbraw/zinc/68/59/36/312685936.db2.gz BJWXNQWQCNTQIA-UHFFFAOYSA-N 1 3 302.462 3.141 10 0 DGAEHO c1ccc([C@H]2C[C@@H](Nc3ccc4c(c3)OCCNC4)CC[NH2+]2)cc1 ZINC000530246248 313347488 /nfs/dbraw/zinc/34/74/88/313347488.db2.gz DABNRQJYIDGJNK-RBUKOAKNSA-N 1 3 323.440 3.074 10 0 DGAEHO C([C@@H]1CCC2(CCCC2)O1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000530525220 313380059 /nfs/dbraw/zinc/38/00/59/313380059.db2.gz ZTPPSKIKASPLCY-SFHVURJKSA-N 1 3 306.494 3.286 10 0 DGAEHO c1ccc(N[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000563267947 315096673 /nfs/dbraw/zinc/09/66/73/315096673.db2.gz FKUIGXRVZVGJNG-NRFANRHFSA-N 1 3 321.468 3.409 10 0 DGAEHO COC[C@@H](C)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000187840495 323419873 /nfs/dbraw/zinc/41/98/73/323419873.db2.gz MNPLSOCTUCJYJX-HNNXBMFYSA-N 1 3 324.896 3.424 10 0 DGAEHO Cc1ccc2[nH+]ccc(NCCCN3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000302174966 534523256 /nfs/dbraw/zinc/52/32/56/534523256.db2.gz WQMZQJXOJUIPGN-IYBDPMFKSA-N 1 3 313.445 3.454 10 0 DGAEHO C[C@@H](NCCOC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381305401 546738796 /nfs/dbraw/zinc/73/87/96/546738796.db2.gz JSFJQWXHQWNWNY-SJLPKXTDSA-N 1 3 304.478 3.302 10 0 DGAEHO C[C@@H](NCCOC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381305401 546738798 /nfs/dbraw/zinc/73/87/98/546738798.db2.gz JSFJQWXHQWNWNY-SJLPKXTDSA-N 1 3 304.478 3.302 10 0 DGAEHO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716660627 661226095 /nfs/dbraw/zinc/22/60/95/661226095.db2.gz HHRKRZCZZMMXCB-MTEHYEEQSA-N 1 3 314.473 3.054 10 0 DGAEHO CO[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716654772 661226226 /nfs/dbraw/zinc/22/62/26/661226226.db2.gz LNKVTEDMANBODA-ZGXWSNOMSA-N 1 3 316.489 3.300 10 0 DGAEHO C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000716662773 661226250 /nfs/dbraw/zinc/22/62/50/661226250.db2.gz PZMZIWLQRBSUQK-JBDAPHQKSA-N 1 3 314.473 3.197 10 0 DGAEHO CC[C@H](C[C@@H](C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716641237 661226294 /nfs/dbraw/zinc/22/62/94/661226294.db2.gz YDVCTEKCQJJZTQ-XZEJUNMKSA-N 1 3 316.489 3.179 10 0 DGAEHO CCOC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674241 661226559 /nfs/dbraw/zinc/22/65/59/661226559.db2.gz WERMMIDEDSJYRD-WNHJNPCNSA-N 1 3 302.462 3.054 10 0 DGAEHO CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CO1 ZINC000716672117 661226750 /nfs/dbraw/zinc/22/67/50/661226750.db2.gz SVUNJPORNQMALJ-RDGPPVDQSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOC1 ZINC000716682204 661227618 /nfs/dbraw/zinc/22/76/18/661227618.db2.gz NXUNVYDNFNBCAA-YRPNKDGESA-N 1 3 314.473 3.056 10 0 DGAEHO FC1(F)CC(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716710153 661227755 /nfs/dbraw/zinc/22/77/55/661227755.db2.gz WSHSZRZXAQMFAF-ZOBUZTSGSA-N 1 3 306.400 3.427 10 0 DGAEHO FC1(F)CC(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716710153 661227756 /nfs/dbraw/zinc/22/77/56/661227756.db2.gz WSHSZRZXAQMFAF-ZOBUZTSGSA-N 1 3 306.400 3.427 10 0 DGAEHO C[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000187363710 661284962 /nfs/dbraw/zinc/28/49/62/661284962.db2.gz NMWMEXQCMLHMHH-WCQYABFASA-N 1 3 311.813 3.163 10 0 DGAEHO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000187363710 661284965 /nfs/dbraw/zinc/28/49/65/661284965.db2.gz NMWMEXQCMLHMHH-WCQYABFASA-N 1 3 311.813 3.163 10 0 DGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000353521755 659995578 /nfs/dbraw/zinc/99/55/78/659995578.db2.gz SLCLPJRTEHGBNW-AYOQOUSVSA-N 1 3 324.472 3.287 10 0 DGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000353521755 659995579 /nfs/dbraw/zinc/99/55/79/659995579.db2.gz SLCLPJRTEHGBNW-AYOQOUSVSA-N 1 3 324.472 3.287 10 0 DGAEHO C[C@@H]1C[C@H](NCCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000719847141 662298102 /nfs/dbraw/zinc/29/81/02/662298102.db2.gz AWVFGFULLHRREQ-NVXWUHKLSA-N 1 3 315.486 3.328 10 0 DGAEHO C[C@@H]1C[C@H](NCCc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000719847141 662298104 /nfs/dbraw/zinc/29/81/04/662298104.db2.gz AWVFGFULLHRREQ-NVXWUHKLSA-N 1 3 315.486 3.328 10 0 DGAEHO C=CCOc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000066972321 1195579305 /nfs/dbraw/zinc/57/93/05/1195579305.db2.gz QXTZULRKLQVMOM-OAHLLOKOSA-N 1 3 320.864 3.479 10 0 DGAEHO C[C@@]1(CN[C@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000401661411 1093963626 /nfs/dbraw/zinc/96/36/26/1093963626.db2.gz VDUDAYBHIFDMBW-ICSRJNTNSA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@@]1(CN[C@H]2CCCc3n[nH]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000401661411 1093963632 /nfs/dbraw/zinc/96/36/32/1093963632.db2.gz VDUDAYBHIFDMBW-ICSRJNTNSA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCN(Cc2ccccc2)C1 ZINC000401661411 1093963636 /nfs/dbraw/zinc/96/36/36/1093963636.db2.gz VDUDAYBHIFDMBW-ICSRJNTNSA-N 1 3 324.472 3.289 10 0 DGAEHO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000309905302 231108235 /nfs/dbraw/zinc/10/82/35/231108235.db2.gz JWULKHHLDRANEC-UHZRXMQZSA-N 1 3 314.473 3.054 10 0 DGAEHO CC(C)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106127301 432020367 /nfs/dbraw/zinc/02/03/67/432020367.db2.gz PGOYPVYYZSXHRW-IBGZPJMESA-N 1 3 304.478 3.020 10 0 DGAEHO CC(C)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106127301 432020370 /nfs/dbraw/zinc/02/03/70/432020370.db2.gz PGOYPVYYZSXHRW-IBGZPJMESA-N 1 3 304.478 3.020 10 0 DGAEHO CCCC[N@H+](C)CC1CCN(Cc2cnn(CCC)c2)CC1 ZINC000134162155 432074563 /nfs/dbraw/zinc/07/45/63/432074563.db2.gz VBOVPLIQXXDQLT-UHFFFAOYSA-N 1 3 306.498 3.237 10 0 DGAEHO CCCC[N@@H+](C)CC1CCN(Cc2cnn(CCC)c2)CC1 ZINC000134162155 432074566 /nfs/dbraw/zinc/07/45/66/432074566.db2.gz VBOVPLIQXXDQLT-UHFFFAOYSA-N 1 3 306.498 3.237 10 0 DGAEHO c1cc(CCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033398 237023521 /nfs/dbraw/zinc/02/35/21/237023521.db2.gz BRYJPBIDJOPVCN-RTBURBONSA-N 1 3 314.473 3.018 10 0 DGAEHO c1ccc(CSCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038133 237028007 /nfs/dbraw/zinc/02/80/07/237028007.db2.gz HKUYGLSANFNDEH-MSOLQXFVSA-N 1 3 304.503 3.384 10 0 DGAEHO CCC[NH+]1CCC(CN[C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091333051 193042499 /nfs/dbraw/zinc/04/24/99/193042499.db2.gz QZZLFLYPHPETGV-HNNXBMFYSA-N 1 3 314.477 3.346 10 0 DGAEHO COc1c(C)cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043262 193145231 /nfs/dbraw/zinc/14/52/31/193145231.db2.gz YKEQOSKHQQRXRW-QZTJIDSGSA-N 1 3 302.462 3.228 10 0 DGAEHO COc1c(C)cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043262 193145232 /nfs/dbraw/zinc/14/52/32/193145232.db2.gz YKEQOSKHQQRXRW-QZTJIDSGSA-N 1 3 302.462 3.228 10 0 DGAEHO COc1ccc(CC2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000125076469 284269387 /nfs/dbraw/zinc/26/93/87/284269387.db2.gz WWPWYRBCOZHIFG-LJQANCHMSA-N 1 3 316.489 3.434 10 0 DGAEHO COc1ccc(CC2CCN(CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000125076469 284269388 /nfs/dbraw/zinc/26/93/88/284269388.db2.gz WWPWYRBCOZHIFG-LJQANCHMSA-N 1 3 316.489 3.434 10 0 DGAEHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127353688 284336677 /nfs/dbraw/zinc/33/66/77/284336677.db2.gz FTLBNZSHJKCFKU-UHFFFAOYSA-N 1 3 317.246 3.266 10 0 DGAEHO CN1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000127456446 284340428 /nfs/dbraw/zinc/34/04/28/284340428.db2.gz WYOHXLHFOGXWMC-LBPRGKRZSA-N 1 3 315.230 3.020 10 0 DGAEHO CN([C@@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CCN(C)CC1 ZINC000021017008 182260495 /nfs/dbraw/zinc/26/04/95/182260495.db2.gz ZPXMKXCJKHYOTP-HNNXBMFYSA-N 1 3 316.276 3.019 10 0 DGAEHO Cc1ccc(C)c([C@H]2CN(CC3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000178975423 292088328 /nfs/dbraw/zinc/08/83/28/292088328.db2.gz LSDJDBIVCGYMPJ-VQIMIIECSA-N 1 3 302.462 3.065 10 0 DGAEHO C[NH2+]CCOCCN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000629571460 400979728 /nfs/dbraw/zinc/97/97/28/400979728.db2.gz MMZBYYUBMRBIKS-LLVKDONJSA-N 1 3 305.249 3.222 10 0 DGAEHO COCc1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246873172 432175803 /nfs/dbraw/zinc/17/58/03/432175803.db2.gz QDKIQKMNDLXVMR-ICSRJNTNSA-N 1 3 314.473 3.282 10 0 DGAEHO COCc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246873172 432175808 /nfs/dbraw/zinc/17/58/08/432175808.db2.gz QDKIQKMNDLXVMR-ICSRJNTNSA-N 1 3 314.473 3.282 10 0 DGAEHO O[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000047972403 275050662 /nfs/dbraw/zinc/05/06/62/275050662.db2.gz BKCRGZBEIGEVQO-SFHVURJKSA-N 1 3 322.880 3.181 10 0 DGAEHO C(C1CCCC1)N1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194009432 275389975 /nfs/dbraw/zinc/38/99/75/275389975.db2.gz ILLTWCAUVJDSAJ-CEXWTWQISA-N 1 3 318.505 3.188 10 0 DGAEHO C(C1CCCC1)[NH+]1CCC(N[C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194009432 275389976 /nfs/dbraw/zinc/38/99/76/275389976.db2.gz ILLTWCAUVJDSAJ-CEXWTWQISA-N 1 3 318.505 3.188 10 0 DGAEHO CC[N@@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071571 276212700 /nfs/dbraw/zinc/21/27/00/276212700.db2.gz FZXBCFSDRTUJGA-KSSFIOAISA-N 1 3 302.462 3.349 10 0 DGAEHO CC[N@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071571 276212702 /nfs/dbraw/zinc/21/27/02/276212702.db2.gz FZXBCFSDRTUJGA-KSSFIOAISA-N 1 3 302.462 3.349 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071571 276212703 /nfs/dbraw/zinc/21/27/03/276212703.db2.gz FZXBCFSDRTUJGA-KSSFIOAISA-N 1 3 302.462 3.349 10 0 DGAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427264 431865872 /nfs/dbraw/zinc/86/58/72/431865872.db2.gz DTZOSDSFEDEBGP-JKSUJKDBSA-N 1 3 302.418 3.037 10 0 DGAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427264 431865874 /nfs/dbraw/zinc/86/58/74/431865874.db2.gz DTZOSDSFEDEBGP-JKSUJKDBSA-N 1 3 302.418 3.037 10 0 DGAEHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000191495275 432270226 /nfs/dbraw/zinc/27/02/26/432270226.db2.gz WUEKHNNLFFRPIX-FQEVSTJZSA-N 1 3 319.537 3.225 10 0 DGAEHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000191495275 432270230 /nfs/dbraw/zinc/27/02/30/432270230.db2.gz WUEKHNNLFFRPIX-FQEVSTJZSA-N 1 3 319.537 3.225 10 0 DGAEHO COc1ccc([C@H](C)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000252733728 432388372 /nfs/dbraw/zinc/38/83/72/432388372.db2.gz BKUNYJQAHIZMKE-HHXXYDBFSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000252733728 432388378 /nfs/dbraw/zinc/38/83/78/432388378.db2.gz BKUNYJQAHIZMKE-HHXXYDBFSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc([C@H](C)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000252733728 432388379 /nfs/dbraw/zinc/38/83/79/432388379.db2.gz BKUNYJQAHIZMKE-HHXXYDBFSA-N 1 3 302.462 3.215 10 0 DGAEHO COc1ccc([C@H](C)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000252733728 432388384 /nfs/dbraw/zinc/38/83/84/432388384.db2.gz BKUNYJQAHIZMKE-HHXXYDBFSA-N 1 3 302.462 3.215 10 0 DGAEHO CCCN(C[C@]1(C)CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000262044475 432471759 /nfs/dbraw/zinc/47/17/59/432471759.db2.gz PNDNQEJFBCUYAO-QFBILLFUSA-N 1 3 317.477 3.115 10 0 DGAEHO CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261913204 432460221 /nfs/dbraw/zinc/46/02/21/432460221.db2.gz YVLJVAPGFHWQBO-YZGWKJHDSA-N 1 3 315.505 3.143 10 0 DGAEHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000154292110 292676261 /nfs/dbraw/zinc/67/62/61/292676261.db2.gz DGYIQSOOGNUSFL-ZWKOTPCHSA-N 1 3 309.542 3.209 10 0 DGAEHO O[C@H](C[C@@H]1CCC[N@@H+]1CCCN1CCCC1)c1cccs1 ZINC000163230456 432846088 /nfs/dbraw/zinc/84/60/88/432846088.db2.gz PRDWFIOOGYPJRX-JKSUJKDBSA-N 1 3 308.491 3.122 10 0 DGAEHO O[C@H](C[C@@H]1CCC[N@H+]1CCCN1CCCC1)c1cccs1 ZINC000163230456 432846092 /nfs/dbraw/zinc/84/60/92/432846092.db2.gz PRDWFIOOGYPJRX-JKSUJKDBSA-N 1 3 308.491 3.122 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)C1 ZINC000163305794 432850037 /nfs/dbraw/zinc/85/00/37/432850037.db2.gz KFFAMFTZHVYXPA-AEFFLSMTSA-N 1 3 304.478 3.194 10 0 DGAEHO Cc1cccc2c(NC[C@H](O)C[NH+]3CCC(C)CC3)ccnc12 ZINC000301659407 433661035 /nfs/dbraw/zinc/66/10/35/433661035.db2.gz IVWWVHOUMSHVGB-INIZCTEOSA-N 1 3 313.445 3.048 10 0 DGAEHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000309750631 434095438 /nfs/dbraw/zinc/09/54/38/434095438.db2.gz ZFBYRHJFBYQJAV-SJQORLFUSA-N 1 3 316.514 3.238 10 0 DGAEHO COCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000363810824 434152968 /nfs/dbraw/zinc/15/29/68/434152968.db2.gz CGKLHWFYWOAMSG-FRYIKTPZSA-N 1 3 316.489 3.302 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000423120847 434235365 /nfs/dbraw/zinc/23/53/65/434235365.db2.gz HOIGKFUJGRUTOD-USYVTKNRSA-N 1 3 314.473 3.417 10 0 DGAEHO c1cc(CCCNC2CC([NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000366449170 434419669 /nfs/dbraw/zinc/41/96/69/434419669.db2.gz FKTICKOOKGHILT-UHFFFAOYSA-N 1 3 314.473 3.161 10 0 DGAEHO C[C@@H](NCCc1ccc(OCc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000400433798 434486437 /nfs/dbraw/zinc/48/64/37/434486437.db2.gz CNLLVFHQGQPFRW-XLIONFOSSA-N 1 3 324.468 3.396 10 0 DGAEHO c1cc(CNCC2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000404432995 434514387 /nfs/dbraw/zinc/51/43/87/434514387.db2.gz CFXPUBRXDQOVOZ-UHFFFAOYSA-N 1 3 301.459 3.145 10 0 DGAEHO CCCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000482954529 435488536 /nfs/dbraw/zinc/48/85/36/435488536.db2.gz DPWKBNAEOIJWMI-UYAOXDASSA-N 1 3 317.521 3.219 10 0 DGAEHO c1cc2c(cc1CN1CCS[C@@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000581553618 324129815 /nfs/dbraw/zinc/12/98/15/324129815.db2.gz YBFKAUHYECNHDT-QZTJIDSGSA-N 1 3 302.487 3.192 10 0 DGAEHO c1ccc(COCCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166405296 546093318 /nfs/dbraw/zinc/09/33/18/546093318.db2.gz QVMQYZCYOPJPGH-RBUKOAKNSA-N 1 3 302.462 3.200 10 0 DGAEHO c1ccc(COCCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166405296 546093324 /nfs/dbraw/zinc/09/33/24/546093324.db2.gz QVMQYZCYOPJPGH-RBUKOAKNSA-N 1 3 302.462 3.200 10 0 DGAEHO c1ccc(COCCCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)cc1 ZINC000166405296 546093327 /nfs/dbraw/zinc/09/33/27/546093327.db2.gz QVMQYZCYOPJPGH-RBUKOAKNSA-N 1 3 302.462 3.200 10 0 DGAEHO C[C@H](CC1CCC1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397511963 546762506 /nfs/dbraw/zinc/76/25/06/546762506.db2.gz OOYSFLZAORLNOW-QGZVFWFLSA-N 1 3 316.489 3.182 10 0 DGAEHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000482511988 546911487 /nfs/dbraw/zinc/91/14/87/546911487.db2.gz QFHCLROTVYYDBN-BJLQDIEVSA-N 1 3 317.521 3.217 10 0 DGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000131376389 626632150 /nfs/dbraw/zinc/63/21/50/626632150.db2.gz VYUUKPDBMGLMKD-QZTJIDSGSA-N 1 3 304.503 3.036 10 0 DGAEHO OCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619573 661224892 /nfs/dbraw/zinc/22/48/92/661224892.db2.gz FHZOZBJHXZUDLO-ZCNNSNEGSA-N 1 3 316.489 3.182 10 0 DGAEHO CC1(C)C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CO1 ZINC000716672113 661226244 /nfs/dbraw/zinc/22/62/44/661226244.db2.gz SVUNJPORNQMALJ-OKYOBFRVSA-N 1 3 314.473 3.197 10 0 DGAEHO CO[C@@H](C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716670712 661226284 /nfs/dbraw/zinc/22/62/84/661226284.db2.gz DBEBDSKXDALESC-WNHJNPCNSA-N 1 3 302.462 3.054 10 0 DGAEHO CC[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716674629 661226607 /nfs/dbraw/zinc/22/66/07/661226607.db2.gz ZBIBVQRDGSAUPT-ZSYWTGECSA-N 1 3 302.462 3.054 10 0 DGAEHO C[C@@H](CCO)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716679216 661226799 /nfs/dbraw/zinc/22/67/99/661226799.db2.gz LTRQHJBFFGMNBJ-MDNKFWRPSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@@H](CCCCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681549 661227403 /nfs/dbraw/zinc/22/74/03/661227403.db2.gz LNPURGNLYZXAMO-FFGOWVMKSA-N 1 3 316.489 3.180 10 0 DGAEHO C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H]1CCOC1 ZINC000716734795 661228050 /nfs/dbraw/zinc/22/80/50/661228050.db2.gz WLFGDTWMGMXBOG-JBDAPHQKSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCO1 ZINC000716731341 661228293 /nfs/dbraw/zinc/22/82/93/661228293.db2.gz CVERRNVYMWJFNT-MUGJNUQGSA-N 1 3 314.473 3.198 10 0 DGAEHO C[C@]1(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068678 657305852 /nfs/dbraw/zinc/30/58/52/657305852.db2.gz RVDLTCVMNDIZHN-NUJGCVRESA-N 1 3 322.518 3.416 10 0 DGAEHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCOc2ccc(C)cc21 ZINC000165998798 432059174 /nfs/dbraw/zinc/05/91/74/432059174.db2.gz XUAOEQTZSFZPDE-AEFFLSMTSA-N 1 3 320.477 3.155 10 0 DGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccsc1 ZINC000177983751 299282978 /nfs/dbraw/zinc/28/29/78/299282978.db2.gz RZFXMLDCHJOKCK-INIZCTEOSA-N 1 3 321.534 3.349 10 0 DGAEHO Cc1ccc(C)c([C@H]2CN(CC3CC[NH2+]CC3)[C@@H](C)CO2)c1 ZINC000246269570 432114043 /nfs/dbraw/zinc/11/40/43/432114043.db2.gz LSDJDBIVCGYMPJ-QFBILLFUSA-N 1 3 302.462 3.065 10 0 DGAEHO CC(C)(C)[NH2+][C@@H]1COC2(C1)CCN(Cc1ccccc1F)CC2 ZINC000096089947 193532543 /nfs/dbraw/zinc/53/25/43/193532543.db2.gz PAXPJOZFWIQMJQ-INIZCTEOSA-N 1 3 320.452 3.337 10 0 DGAEHO COCC[N@H+](C)CCCN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000181943621 432150022 /nfs/dbraw/zinc/15/00/22/432150022.db2.gz FKPOHXKBDDBCKF-QGZVFWFLSA-N 1 3 314.420 3.220 10 0 DGAEHO COCC[N@@H+](C)CCCN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000181943621 432150025 /nfs/dbraw/zinc/15/00/25/432150025.db2.gz FKPOHXKBDDBCKF-QGZVFWFLSA-N 1 3 314.420 3.220 10 0 DGAEHO c1ccc(CN2CCCC[C@@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000289801702 221237228 /nfs/dbraw/zinc/23/72/28/221237228.db2.gz MFEUYYPIQBTRJP-FQEVSTJZSA-N 1 3 316.489 3.305 10 0 DGAEHO c1cc(N2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)ccn1 ZINC000421384026 285442704 /nfs/dbraw/zinc/44/27/04/285442704.db2.gz OONXWISHFMPVSG-OAHLLOKOSA-N 1 3 317.502 3.173 10 0 DGAEHO Cc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000631194429 401422639 /nfs/dbraw/zinc/42/26/39/401422639.db2.gz LAMDUNWEKMEKQS-JXFKEZNVSA-N 1 3 309.457 3.248 10 0 DGAEHO C[C@@H](CCC1CC1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000186362027 165039665 /nfs/dbraw/zinc/03/96/65/165039665.db2.gz ZWOVQWNNAVOPCQ-KRWDZBQOSA-N 1 3 307.526 3.105 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000246991684 432188650 /nfs/dbraw/zinc/18/86/50/432188650.db2.gz KFFAMFTZHVYXPA-FUHWJXTLSA-N 1 3 304.478 3.194 10 0 DGAEHO CN(C)CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000150982489 432208766 /nfs/dbraw/zinc/20/87/66/432208766.db2.gz PHXWQNWEIQKCRL-ZWKOTPCHSA-N 1 3 309.542 3.207 10 0 DGAEHO c1ncn2cc(C[NH2+]C3CCN(Cc4ccccc4)CC3)ccc12 ZINC000297455993 227189236 /nfs/dbraw/zinc/18/92/36/227189236.db2.gz HPMMISOSKLBMNR-UHFFFAOYSA-N 1 3 320.440 3.089 10 0 DGAEHO c1ncn2cc(CNC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000297455993 227189238 /nfs/dbraw/zinc/18/92/38/227189238.db2.gz HPMMISOSKLBMNR-UHFFFAOYSA-N 1 3 320.440 3.089 10 0 DGAEHO C(C[NH2+]C1CCCCCC1)N[C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423274124 275393838 /nfs/dbraw/zinc/39/38/38/275393838.db2.gz JYSAGENPYNTVQE-NZSAHSFTSA-N 1 3 308.510 3.484 10 0 DGAEHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095966 431784038 /nfs/dbraw/zinc/78/40/38/431784038.db2.gz NOVWRILMTWODKX-HIFRSBDPSA-N 1 3 312.404 3.450 10 0 DGAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095966 431784044 /nfs/dbraw/zinc/78/40/44/431784044.db2.gz NOVWRILMTWODKX-HIFRSBDPSA-N 1 3 312.404 3.450 10 0 DGAEHO Cc1ccc2nccc(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000302139693 281169713 /nfs/dbraw/zinc/16/97/13/281169713.db2.gz DCOCPDOYODHKSE-UHFFFAOYSA-N 1 3 304.397 3.265 10 0 DGAEHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696294 432386897 /nfs/dbraw/zinc/38/68/97/432386897.db2.gz XQNAFDITASVHKZ-MAUKXSAKSA-N 1 3 306.425 3.011 10 0 DGAEHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696294 432386900 /nfs/dbraw/zinc/38/69/00/432386900.db2.gz XQNAFDITASVHKZ-MAUKXSAKSA-N 1 3 306.425 3.011 10 0 DGAEHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696294 432386903 /nfs/dbraw/zinc/38/69/03/432386903.db2.gz XQNAFDITASVHKZ-MAUKXSAKSA-N 1 3 306.425 3.011 10 0 DGAEHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696294 432386905 /nfs/dbraw/zinc/38/69/05/432386905.db2.gz XQNAFDITASVHKZ-MAUKXSAKSA-N 1 3 306.425 3.011 10 0 DGAEHO CCOc1cccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261728534 432444727 /nfs/dbraw/zinc/44/47/27/432444727.db2.gz OAZGOHBOEPJSBT-QUCCMNQESA-N 1 3 310.441 3.260 10 0 DGAEHO C[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)N1CCCCCC1 ZINC000261955996 432462989 /nfs/dbraw/zinc/46/29/89/432462989.db2.gz GPPJXWVZUOXIMV-ZDUSSCGKSA-N 1 3 300.406 3.132 10 0 DGAEHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000234750430 432739415 /nfs/dbraw/zinc/73/94/15/432739415.db2.gz ZGUGWNSRPLWSIN-ZYHUDNBSSA-N 1 3 305.249 3.398 10 0 DGAEHO CO[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000373054518 433080029 /nfs/dbraw/zinc/08/00/29/433080029.db2.gz HPBMZYXTFYRAAQ-IYWMVGAKSA-N 1 3 316.489 3.443 10 0 DGAEHO CO[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000373054518 433080034 /nfs/dbraw/zinc/08/00/34/433080034.db2.gz HPBMZYXTFYRAAQ-IYWMVGAKSA-N 1 3 316.489 3.443 10 0 DGAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1C[C@@H]1C ZINC000397558015 293847122 /nfs/dbraw/zinc/84/71/22/293847122.db2.gz QEYSHHDOLZWVLC-UHOSZYNNSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000309750630 434094922 /nfs/dbraw/zinc/09/49/22/434094922.db2.gz ZFBYRHJFBYQJAV-QTUASDBPSA-N 1 3 316.514 3.238 10 0 DGAEHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510671364 294389514 /nfs/dbraw/zinc/38/95/14/294389514.db2.gz ZOADVOHHTMXPHH-UXHICEINSA-N 1 3 316.489 3.338 10 0 DGAEHO C[C@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000390690437 434367721 /nfs/dbraw/zinc/36/77/21/434367721.db2.gz PJHHWVHGDFEGAB-VNVJMFPYSA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000390690437 434367729 /nfs/dbraw/zinc/36/77/29/434367729.db2.gz PJHHWVHGDFEGAB-VNVJMFPYSA-N 1 3 314.473 3.339 10 0 DGAEHO CCCN(CC)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000484472063 435545148 /nfs/dbraw/zinc/54/51/48/435545148.db2.gz JPMNKJMZXBTDQY-UYAOXDASSA-N 1 3 317.521 3.219 10 0 DGAEHO c1ccc(CC[NH+]2CCC(NCCOCC3CCC3)CC2)cc1 ZINC000570769096 435647901 /nfs/dbraw/zinc/64/79/01/435647901.db2.gz IEGUQPGOKFHKAQ-UHFFFAOYSA-N 1 3 316.489 3.100 10 0 DGAEHO NCC1([NH+](Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000095835417 303370782 /nfs/dbraw/zinc/37/07/82/303370782.db2.gz RLBXSRVAOYGADJ-UHFFFAOYSA-N 1 3 310.441 3.197 10 0 DGAEHO c1cc2c(cc1CN1CCS[C@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000581553617 324129525 /nfs/dbraw/zinc/12/95/25/324129525.db2.gz YBFKAUHYECNHDT-MSOLQXFVSA-N 1 3 302.487 3.192 10 0 DGAEHO c1cc2c(cc1CN1CCS[C@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000581553619 324129613 /nfs/dbraw/zinc/12/96/13/324129613.db2.gz YBFKAUHYECNHDT-ROUUACIJSA-N 1 3 302.487 3.192 10 0 DGAEHO c1[nH]c(-c2ccccc2)nc1CNCCCCC[NH+]1CCCC1 ZINC000292855214 534461497 /nfs/dbraw/zinc/46/14/97/534461497.db2.gz AHSYTYSGHFTAOS-UHFFFAOYSA-N 1 3 312.461 3.432 10 0 DGAEHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000248902110 546322876 /nfs/dbraw/zinc/32/28/76/546322876.db2.gz SKHFOIHCNXAWPE-CEXWTWQISA-N 1 3 309.542 3.064 10 0 DGAEHO CC(C)(CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619582 661224957 /nfs/dbraw/zinc/22/49/57/661224957.db2.gz FKTKVXKRPBMQMP-OTWHNJEPSA-N 1 3 316.489 3.038 10 0 DGAEHO CCC[C@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619113 661224964 /nfs/dbraw/zinc/22/49/64/661224964.db2.gz BLCUQUJOKAMRNE-YRPNKDGESA-N 1 3 316.489 3.180 10 0 DGAEHO CCC[C@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619111 661225117 /nfs/dbraw/zinc/22/51/17/661225117.db2.gz BLCUQUJOKAMRNE-NMLBUPMWSA-N 1 3 316.489 3.180 10 0 DGAEHO CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620039 661225210 /nfs/dbraw/zinc/22/52/10/661225210.db2.gz KPBYOVDSWOGHPT-YRPNKDGESA-N 1 3 316.489 3.036 10 0 DGAEHO CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716641235 661226134 /nfs/dbraw/zinc/22/61/34/661226134.db2.gz YDVCTEKCQJJZTQ-UVBQOVKKSA-N 1 3 316.489 3.179 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)[C@@H](C)O1 ZINC000716688851 661227364 /nfs/dbraw/zinc/22/73/64/661227364.db2.gz BXTUFQLLWBQDIS-ZPNQOMQUSA-N 1 3 314.473 3.195 10 0 DGAEHO C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716683835 661227445 /nfs/dbraw/zinc/22/74/45/661227445.db2.gz SPNYNDCGCYCRSK-QDGKJQRMSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@]1(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927916 657199583 /nfs/dbraw/zinc/19/95/83/657199583.db2.gz CJQXIKYLLDZBPO-ZBFHGGJFSA-N 1 3 312.379 3.494 10 0 DGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000353521752 659995540 /nfs/dbraw/zinc/99/55/40/659995540.db2.gz SLCLPJRTEHGBNW-ATZDWAIDSA-N 1 3 324.472 3.287 10 0 DGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000353521752 659995542 /nfs/dbraw/zinc/99/55/42/659995542.db2.gz SLCLPJRTEHGBNW-ATZDWAIDSA-N 1 3 324.472 3.287 10 0 DGAEHO C[C@@H](CC[NH2+]Cc1cnn2ccccc12)N(C)Cc1ccccc1 ZINC000080234663 1197051001 /nfs/dbraw/zinc/05/10/01/1197051001.db2.gz IRDAGIOIHASBCD-KRWDZBQOSA-N 1 3 322.456 3.335 10 0 DGAEHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405234009 1094310833 /nfs/dbraw/zinc/31/08/33/1094310833.db2.gz CMOGPNKZWIKRPE-BYCMXARLSA-N 1 3 323.278 3.240 10 0 DGAEHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OC2CCC2)[C@H](C)C1 ZINC000090027363 185279035 /nfs/dbraw/zinc/27/90/35/185279035.db2.gz CQCWQEQKUONZQF-CRAIPNDOSA-N 1 3 302.462 3.438 10 0 DGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CCCC1 ZINC000124764136 296118663 /nfs/dbraw/zinc/11/86/63/296118663.db2.gz HPZQJMHALWSATH-QGZVFWFLSA-N 1 3 307.526 3.105 10 0 DGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccsc1 ZINC000177983768 296118728 /nfs/dbraw/zinc/11/87/28/296118728.db2.gz RZFXMLDCHJOKCK-MRXNPFEDSA-N 1 3 321.534 3.349 10 0 DGAEHO CN1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000128477465 284376893 /nfs/dbraw/zinc/37/68/93/284376893.db2.gz NFWOVUFGMQESQH-ROUUACIJSA-N 1 3 309.542 3.209 10 0 DGAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000128714861 284384291 /nfs/dbraw/zinc/38/42/91/284384291.db2.gz PEISWXRPFUEFHD-CEXWTWQISA-N 1 3 309.542 3.064 10 0 DGAEHO CC[NH+](CC)[C@H]1CCO[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000248260207 257107217 /nfs/dbraw/zinc/10/72/17/257107217.db2.gz QDHPLFQSJNMHEM-IRXDYDNUSA-N 1 3 308.491 3.213 10 0 DGAEHO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(C[C@@H]2CCCCN2C)CC1 ZINC000191066746 165229016 /nfs/dbraw/zinc/22/90/16/165229016.db2.gz OFGLVCMSRITILX-UFYCRDLUSA-N 1 3 319.537 3.081 10 0 DGAEHO CC1=CCC[C@H](C)[C@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000191066746 165229020 /nfs/dbraw/zinc/22/90/20/165229020.db2.gz OFGLVCMSRITILX-UFYCRDLUSA-N 1 3 319.537 3.081 10 0 DGAEHO CC1=CCC[C@H](C)[C@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000191066746 165229022 /nfs/dbraw/zinc/22/90/22/165229022.db2.gz OFGLVCMSRITILX-UFYCRDLUSA-N 1 3 319.537 3.081 10 0 DGAEHO C[C@@H]1CC[C@H](C)N(CC2(C[N@@H+]3C[C@@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205038 432166120 /nfs/dbraw/zinc/16/61/20/432166120.db2.gz MBJOXRCLNJZDCV-MHORFTMASA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)N(CC2(C[N@H+]3C[C@@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205038 432166123 /nfs/dbraw/zinc/16/61/23/432166123.db2.gz MBJOXRCLNJZDCV-MHORFTMASA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)[N@H+](CC2(CN3C[C@@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205038 432166126 /nfs/dbraw/zinc/16/61/26/432166126.db2.gz MBJOXRCLNJZDCV-MHORFTMASA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)[N@@H+](CC2(CN3C[C@@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205038 432166131 /nfs/dbraw/zinc/16/61/31/432166131.db2.gz MBJOXRCLNJZDCV-MHORFTMASA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)N(CC2(C[N@@H+]3C[C@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205018 432166301 /nfs/dbraw/zinc/16/63/01/432166301.db2.gz MBJOXRCLNJZDCV-BDXSIMOUSA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)N(CC2(C[N@H+]3C[C@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205018 432166304 /nfs/dbraw/zinc/16/63/04/432166304.db2.gz MBJOXRCLNJZDCV-BDXSIMOUSA-N 1 3 308.510 3.244 10 0 DGAEHO COc1ccccc1CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000182404504 432186921 /nfs/dbraw/zinc/18/69/21/432186921.db2.gz YCOPJELKPOTJLQ-UHFFFAOYSA-N 1 3 316.489 3.436 10 0 DGAEHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000119657378 431714319 /nfs/dbraw/zinc/71/43/19/431714319.db2.gz FXQNXIBMJCFWSF-XUVXKRRUSA-N 1 3 323.569 3.455 10 0 DGAEHO CN1CCC[C@H]2C[N@H+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144515 432271676 /nfs/dbraw/zinc/27/16/76/432271676.db2.gz QAHMGDXZTVVXFE-VQTJNVASSA-N 1 3 316.489 3.052 10 0 DGAEHO CN1CCC[C@H]2C[N@@H+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144515 432271679 /nfs/dbraw/zinc/27/16/79/432271679.db2.gz QAHMGDXZTVVXFE-VQTJNVASSA-N 1 3 316.489 3.052 10 0 DGAEHO CCC[NH+]1CCC(N(C)CCN(C)Cc2ccc(F)cc2)CC1 ZINC000173214603 432265004 /nfs/dbraw/zinc/26/50/04/432265004.db2.gz WZJRONFXFGCCRS-UHFFFAOYSA-N 1 3 321.484 3.064 10 0 DGAEHO CCCN1CCC([N@H+](C)CCN(C)Cc2ccc(F)cc2)CC1 ZINC000173214603 432265008 /nfs/dbraw/zinc/26/50/08/432265008.db2.gz WZJRONFXFGCCRS-UHFFFAOYSA-N 1 3 321.484 3.064 10 0 DGAEHO CCCN1CCC([N@@H+](C)CCN(C)Cc2ccc(F)cc2)CC1 ZINC000173214603 432265013 /nfs/dbraw/zinc/26/50/13/432265013.db2.gz WZJRONFXFGCCRS-UHFFFAOYSA-N 1 3 321.484 3.064 10 0 DGAEHO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248963727 432330857 /nfs/dbraw/zinc/33/08/57/432330857.db2.gz BMNHCRNGTATUNU-WDYCEAGBSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@@H](O)CC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248963727 432330862 /nfs/dbraw/zinc/33/08/62/432330862.db2.gz BMNHCRNGTATUNU-WDYCEAGBSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@@H](O)CC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248963727 432330866 /nfs/dbraw/zinc/33/08/66/432330866.db2.gz BMNHCRNGTATUNU-WDYCEAGBSA-N 1 3 308.510 3.170 10 0 DGAEHO CCCC[C@@H](CC)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000183644324 432312275 /nfs/dbraw/zinc/31/22/75/432312275.db2.gz CRXAYDKKGZTGSH-WRURNZQNSA-N 1 3 321.553 3.446 10 0 DGAEHO CCCC[C@@H](CC)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000183644324 432312280 /nfs/dbraw/zinc/31/22/80/432312280.db2.gz CRXAYDKKGZTGSH-WRURNZQNSA-N 1 3 321.553 3.446 10 0 DGAEHO CCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261913201 432459592 /nfs/dbraw/zinc/45/95/92/432459592.db2.gz YVLJVAPGFHWQBO-MISYRCLQSA-N 1 3 315.505 3.143 10 0 DGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445331 432832224 /nfs/dbraw/zinc/83/22/24/432832224.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 1 3 312.461 3.034 10 0 DGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445331 432832227 /nfs/dbraw/zinc/83/22/27/432832227.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 1 3 312.461 3.034 10 0 DGAEHO O[C@H](C[C@@H]1CCCN1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388559 432851047 /nfs/dbraw/zinc/85/10/47/432851047.db2.gz DRBWETZGFKIZIF-RBUKOAKNSA-N 1 3 320.452 3.200 10 0 DGAEHO O[C@@H](C[C@H]1CCCN1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388899 432851190 /nfs/dbraw/zinc/85/11/90/432851190.db2.gz DRBWETZGFKIZIF-MOPGFXCFSA-N 1 3 320.452 3.200 10 0 DGAEHO Cc1cccc2c(NC[C@@H](O)C[NH+]3CCC(C)CC3)ccnc12 ZINC000301659408 433661691 /nfs/dbraw/zinc/66/16/91/433661691.db2.gz IVWWVHOUMSHVGB-MRXNPFEDSA-N 1 3 313.445 3.048 10 0 DGAEHO Cc1ccncc1C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374280078 293376961 /nfs/dbraw/zinc/37/69/61/293376961.db2.gz YJSRJQJBVSDYHK-HXUWFJFHSA-N 1 3 309.457 3.392 10 0 DGAEHO c1ccc2c(c1)[nH]c1c2C[C@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000377396994 433870719 /nfs/dbraw/zinc/87/07/19/433870719.db2.gz FDKGXDNPFQMHGU-PCKAHOCUSA-N 1 3 309.457 3.242 10 0 DGAEHO c1ccc2nc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422777301 433994648 /nfs/dbraw/zinc/99/46/48/433994648.db2.gz FHXRJSFLGGFHKA-RLLQIKCJSA-N 1 3 309.457 3.288 10 0 DGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C[C@@H](C)O1 ZINC000507464644 294299417 /nfs/dbraw/zinc/29/94/17/294299417.db2.gz XZOJPDTWUFZTGD-PSBWJHGTSA-N 1 3 308.510 3.434 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000423120843 434231805 /nfs/dbraw/zinc/23/18/05/434231805.db2.gz HOIGKFUJGRUTOD-LASHMREHSA-N 1 3 314.473 3.417 10 0 DGAEHO C(C[NH2+]C1CCCCCC1)N[C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423274125 434329218 /nfs/dbraw/zinc/32/92/18/434329218.db2.gz JYSAGENPYNTVQE-QXAKKESOSA-N 1 3 308.510 3.484 10 0 DGAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000397558014 434442779 /nfs/dbraw/zinc/44/27/79/434442779.db2.gz QEYSHHDOLZWVLC-QRQLOZEOSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@H](NCCc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000400433796 434488002 /nfs/dbraw/zinc/48/80/02/434488002.db2.gz CNLLVFHQGQPFRW-FXAWDEMLSA-N 1 3 324.468 3.396 10 0 DGAEHO c1ccc(OCCCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000526123411 295059521 /nfs/dbraw/zinc/05/95/21/295059521.db2.gz DTBGPQUMMCDDRN-GOSISDBHSA-N 1 3 302.462 3.263 10 0 DGAEHO c1ccc(OCCCC[N@@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000526123411 295059523 /nfs/dbraw/zinc/05/95/23/295059523.db2.gz DTBGPQUMMCDDRN-GOSISDBHSA-N 1 3 302.462 3.263 10 0 DGAEHO c1ccc(OCCCC[N@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000526123411 295059525 /nfs/dbraw/zinc/05/95/25/295059525.db2.gz DTBGPQUMMCDDRN-GOSISDBHSA-N 1 3 302.462 3.263 10 0 DGAEHO CC(C)[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000569813040 315605596 /nfs/dbraw/zinc/60/55/96/315605596.db2.gz NDRPSEQMTSZWKJ-IBGZPJMESA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000397709919 546762998 /nfs/dbraw/zinc/76/29/98/546762998.db2.gz YOYDCDRVCDSMSX-KRWDZBQOSA-N 1 3 318.505 3.285 10 0 DGAEHO C[C@@H]1CN(Cc2ccc(F)c(Br)c2)C[C@H]1CC[NH3+] ZINC000723892546 655729240 /nfs/dbraw/zinc/72/92/40/655729240.db2.gz XSBMPSVZWYGCMM-ZYHUDNBSSA-N 1 3 315.230 3.005 10 0 DGAEHO CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620037 661224970 /nfs/dbraw/zinc/22/49/70/661224970.db2.gz KPBYOVDSWOGHPT-MUGJNUQGSA-N 1 3 316.489 3.036 10 0 DGAEHO CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716621547 661225270 /nfs/dbraw/zinc/22/52/70/661225270.db2.gz RFSAKFAPZRNIRJ-LWYYNNOASA-N 1 3 316.489 3.036 10 0 DGAEHO CCOCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716703091 661227474 /nfs/dbraw/zinc/22/74/74/661227474.db2.gz XMKIOTKYOLHAMV-ZCNNSNEGSA-N 1 3 316.489 3.446 10 0 DGAEHO COC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716681423 661227533 /nfs/dbraw/zinc/22/75/33/661227533.db2.gz WWJLWSLKQWKDTC-LEAZDLGRSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCO1 ZINC000716731344 661228296 /nfs/dbraw/zinc/22/82/96/661228296.db2.gz CVERRNVYMWJFNT-YRPNKDGESA-N 1 3 314.473 3.198 10 0 DGAEHO C[C@]1(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927915 657199819 /nfs/dbraw/zinc/19/98/19/657199819.db2.gz CJQXIKYLLDZBPO-HOCLYGCPSA-N 1 3 312.379 3.494 10 0 DGAEHO C[C@@H]([NH2+]CCc1ccns1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000719821710 662297244 /nfs/dbraw/zinc/29/72/44/662297244.db2.gz YADNWABNMIULIH-NVXWUHKLSA-N 1 3 315.486 3.186 10 0 DGAEHO C[C@H]([NH2+]CCc1ccns1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000719821713 662297307 /nfs/dbraw/zinc/29/73/07/662297307.db2.gz YADNWABNMIULIH-RDJZCZTQSA-N 1 3 315.486 3.186 10 0 DGAEHO c1cncc(-c2cccc(CNC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000130373534 432023010 /nfs/dbraw/zinc/02/30/10/432023010.db2.gz IEUJASWXNKLVEK-UHFFFAOYSA-N 1 3 307.441 3.465 10 0 DGAEHO CC(C)c1nccc(CN2CCCC3(CC[NH+](C)CC3)CC2)n1 ZINC000067789347 432040327 /nfs/dbraw/zinc/04/03/27/432040327.db2.gz FSBBZIBTLNMZJM-UHFFFAOYSA-N 1 3 316.493 3.298 10 0 DGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC[C@@H]2CCC=CO2)C3)cc1 ZINC000188581681 200270782 /nfs/dbraw/zinc/27/07/82/200270782.db2.gz PZFQXMRAYDEBQG-NXEWRWPSSA-N 1 3 312.457 3.464 10 0 DGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NC[C@@H]2CCC=CO2)C3)cc1 ZINC000188581681 200270784 /nfs/dbraw/zinc/27/07/84/200270784.db2.gz PZFQXMRAYDEBQG-NXEWRWPSSA-N 1 3 312.457 3.464 10 0 DGAEHO C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000189911989 432104827 /nfs/dbraw/zinc/10/48/27/432104827.db2.gz BERZHEMPHXRTEM-KRWDZBQOSA-N 1 3 312.461 3.399 10 0 DGAEHO C[C@H](NCCC[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000189911989 432104832 /nfs/dbraw/zinc/10/48/32/432104832.db2.gz BERZHEMPHXRTEM-KRWDZBQOSA-N 1 3 312.461 3.399 10 0 DGAEHO CCOc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000127164936 284329389 /nfs/dbraw/zinc/32/93/89/284329389.db2.gz JAAKXPXLWUCVKU-UHFFFAOYSA-N 1 3 302.462 3.393 10 0 DGAEHO CC[C@@H]([NH3+])Cc1cc(Cl)cc(Cl)c1OCCN(C)C ZINC000037729065 182920876 /nfs/dbraw/zinc/92/08/76/182920876.db2.gz APGRKPBWJGSPLW-GFCCVEGCSA-N 1 3 305.249 3.214 10 0 DGAEHO CC[NH+](CC)[C@@H]1CCO[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000503716197 257210233 /nfs/dbraw/zinc/21/02/33/257210233.db2.gz DWEYLOLCPVYPDA-RTBURBONSA-N 1 3 320.452 3.291 10 0 DGAEHO CN(C)Cc1ccc2c(c1)CC1(CC[NH+](C3CCC3)CC1)O2 ZINC000114727857 400389269 /nfs/dbraw/zinc/38/92/69/400389269.db2.gz MHWHXJXOYPUXKM-UHFFFAOYSA-N 1 3 300.446 3.070 10 0 DGAEHO c1ccc2c(c1)CCSC[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635009614 401402018 /nfs/dbraw/zinc/40/20/18/401402018.db2.gz JAHKNDAZRRENLE-HXUWFJFHSA-N 1 3 324.493 3.453 10 0 DGAEHO CCC[NH+]1CCC(CNCc2ccc(Br)o2)CC1 ZINC000190955123 165221825 /nfs/dbraw/zinc/22/18/25/165221825.db2.gz ZGKMDXNMIIGZEY-UHFFFAOYSA-N 1 3 315.255 3.254 10 0 DGAEHO CC(C)(O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269053960 432153871 /nfs/dbraw/zinc/15/38/71/432153871.db2.gz RSPXUZBDKYHWAM-RBUKOAKNSA-N 1 3 316.489 3.134 10 0 DGAEHO CC(C)(O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269053960 432153874 /nfs/dbraw/zinc/15/38/74/432153874.db2.gz RSPXUZBDKYHWAM-RBUKOAKNSA-N 1 3 316.489 3.134 10 0 DGAEHO CC[C@@H]1CCC[C@@H](CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000183052960 432252849 /nfs/dbraw/zinc/25/28/49/432252849.db2.gz NQNMQRKODDXUOH-AQNXPRMDSA-N 1 3 321.553 3.305 10 0 DGAEHO CC[C@@H]1CCC[C@@H](CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000183052960 432252852 /nfs/dbraw/zinc/25/28/52/432252852.db2.gz NQNMQRKODDXUOH-AQNXPRMDSA-N 1 3 321.553 3.305 10 0 DGAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966547 432257311 /nfs/dbraw/zinc/25/73/11/432257311.db2.gz DTZOSDSFEDEBGP-CVEARBPZSA-N 1 3 302.418 3.037 10 0 DGAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966547 432257314 /nfs/dbraw/zinc/25/73/14/432257314.db2.gz DTZOSDSFEDEBGP-CVEARBPZSA-N 1 3 302.418 3.037 10 0 DGAEHO CCn1cc(CN2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)cn1 ZINC000014953067 431597850 /nfs/dbraw/zinc/59/78/50/431597850.db2.gz QSALWARIKSSENW-LJQANCHMSA-N 1 3 318.509 3.093 10 0 DGAEHO C[NH+](C)CCCNCCc1cccc(C(=O)c2ccccc2)c1 ZINC000029411927 431720894 /nfs/dbraw/zinc/72/08/94/431720894.db2.gz AKKOZFTZMQWVIB-UHFFFAOYSA-N 1 3 310.441 3.001 10 0 DGAEHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162942543 432838967 /nfs/dbraw/zinc/83/89/67/432838967.db2.gz UGUWVUGIJPVGLZ-IBGZPJMESA-N 1 3 324.472 3.183 10 0 DGAEHO c1cc2c(cccc2CC[NH2+]C2CCN(c3ccncc3)CC2)[nH]1 ZINC000298034572 433041660 /nfs/dbraw/zinc/04/16/60/433041660.db2.gz GLVOBUXIGLUTFQ-UHFFFAOYSA-N 1 3 320.440 3.364 10 0 DGAEHO C[C@@H]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000453410401 433160708 /nfs/dbraw/zinc/16/07/08/433160708.db2.gz PJHHWVHGDFEGAB-XLSIIYIISA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@@H]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000453410401 433160714 /nfs/dbraw/zinc/16/07/14/433160714.db2.gz PJHHWVHGDFEGAB-XLSIIYIISA-N 1 3 314.473 3.339 10 0 DGAEHO c1ccc(CCOCCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420381907 433193057 /nfs/dbraw/zinc/19/30/57/433193057.db2.gz CWZMYTYDTDBPQF-VQTJNVASSA-N 1 3 316.489 3.100 10 0 DGAEHO c1cc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422805838 434017206 /nfs/dbraw/zinc/01/72/06/434017206.db2.gz JSDJVYUUBSAQKU-SJLPKXTDSA-N 1 3 314.454 3.136 10 0 DGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)C[C@H](C)O1 ZINC000507464643 294299532 /nfs/dbraw/zinc/29/95/32/294299532.db2.gz XZOJPDTWUFZTGD-OGWHTMIXSA-N 1 3 308.510 3.434 10 0 DGAEHO COCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000363810832 434154329 /nfs/dbraw/zinc/15/43/29/434154329.db2.gz CGKLHWFYWOAMSG-OJAHFUOMSA-N 1 3 316.489 3.302 10 0 DGAEHO c1cc2c(s1)CCC[C@@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423194518 434276208 /nfs/dbraw/zinc/27/62/08/434276208.db2.gz YYMQHMNEZBXBKU-INIZCTEOSA-N 1 3 301.459 3.290 10 0 DGAEHO COC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(C)C ZINC000381766183 434276315 /nfs/dbraw/zinc/27/63/15/434276315.db2.gz NVIYPYAGKDHRCS-WCIQWLHISA-N 1 3 316.489 3.158 10 0 DGAEHO COC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(C)C ZINC000381766184 434273960 /nfs/dbraw/zinc/27/39/60/434273960.db2.gz NVIYPYAGKDHRCS-WTGUMLROSA-N 1 3 316.489 3.158 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[C@@H](C)O1 ZINC000384934315 434296128 /nfs/dbraw/zinc/29/61/28/434296128.db2.gz QICCZKJMAQRDNP-GFBDQPOWSA-N 1 3 314.473 3.053 10 0 DGAEHO Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000385076064 434297552 /nfs/dbraw/zinc/29/75/52/434297552.db2.gz XPNYQRNWHDYALH-PCCBWWKXSA-N 1 3 321.468 3.390 10 0 DGAEHO Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000385076066 434297993 /nfs/dbraw/zinc/29/79/93/434297993.db2.gz XPNYQRNWHDYALH-QHAWAJNXSA-N 1 3 321.468 3.390 10 0 DGAEHO CC1(C)C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000396970888 434425226 /nfs/dbraw/zinc/42/52/26/434425226.db2.gz LTXMKKCFCSSLIR-HRVKUGKESA-N 1 3 314.473 3.339 10 0 DGAEHO CC1(C)C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000396970888 434425234 /nfs/dbraw/zinc/42/52/34/434425234.db2.gz LTXMKKCFCSSLIR-HRVKUGKESA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@H](NCCOCC1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573407619 434896189 /nfs/dbraw/zinc/89/61/89/434896189.db2.gz WGRPGRPLOQMUAQ-FXAWDEMLSA-N 1 3 316.489 3.303 10 0 DGAEHO C[C@H](NCCOCC1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573407619 434896193 /nfs/dbraw/zinc/89/61/93/434896193.db2.gz WGRPGRPLOQMUAQ-FXAWDEMLSA-N 1 3 316.489 3.303 10 0 DGAEHO c1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(C2CC2)c1 ZINC000530247950 313347588 /nfs/dbraw/zinc/34/75/88/313347588.db2.gz FCBIADHPTIAYGI-FQEVSTJZSA-N 1 3 314.473 3.155 10 0 DGAEHO C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000567645847 315437745 /nfs/dbraw/zinc/43/77/45/315437745.db2.gz CYBDZNIZGALAKJ-PKOBYXMFSA-N 1 3 316.489 3.351 10 0 DGAEHO Cn1cccc1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000272618541 546357532 /nfs/dbraw/zinc/35/75/32/546357532.db2.gz XQIBWNOYTLKVRN-MISYRCLQSA-N 1 3 309.457 3.025 10 0 DGAEHO CCN1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677417 574556423 /nfs/dbraw/zinc/55/64/23/574556423.db2.gz PKDCJHRYMUETLZ-INIZCTEOSA-N 1 3 302.462 3.222 10 0 DGAEHO CS[C@@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716625106 661225147 /nfs/dbraw/zinc/22/51/47/661225147.db2.gz LQKXOSOUPHKSBY-OWLYRPNTSA-N 1 3 304.503 3.381 10 0 DGAEHO COCC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620182 661225182 /nfs/dbraw/zinc/22/51/82/661225182.db2.gz LOHRISSLAYNKFG-FHWLQOOXSA-N 1 3 316.489 3.302 10 0 DGAEHO CO[C@H](C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716670705 661225987 /nfs/dbraw/zinc/22/59/87/661225987.db2.gz DBEBDSKXDALESC-BVBHFADKSA-N 1 3 302.462 3.054 10 0 DGAEHO CO[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716654769 661226063 /nfs/dbraw/zinc/22/60/63/661226063.db2.gz LNKVTEDMANBODA-LWYYNNOASA-N 1 3 316.489 3.300 10 0 DGAEHO CO[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716654771 661226261 /nfs/dbraw/zinc/22/62/61/661226261.db2.gz LNKVTEDMANBODA-YRPNKDGESA-N 1 3 316.489 3.300 10 0 DGAEHO CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716696181 661227544 /nfs/dbraw/zinc/22/75/44/661227544.db2.gz BWJXZJNBEYEDSF-KNJMJIDISA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)[C@H](C)O1 ZINC000716688848 661227771 /nfs/dbraw/zinc/22/77/71/661227771.db2.gz BXTUFQLLWBQDIS-CARQVRACSA-N 1 3 314.473 3.195 10 0 DGAEHO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353684451 660026621 /nfs/dbraw/zinc/02/66/21/660026621.db2.gz SIUDXZMRTSPRKA-IEZWGBDMSA-N 1 3 324.472 3.287 10 0 DGAEHO c1sc(-c2ccccc2)nc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414982004 236984889 /nfs/dbraw/zinc/98/48/89/236984889.db2.gz YBRMFEPCOJLZNI-OAHLLOKOSA-N 1 3 301.459 3.432 10 0 DGAEHO c1[nH]nc2cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc12 ZINC000246099980 432094698 /nfs/dbraw/zinc/09/46/98/432094698.db2.gz JDZSUNSPLGPOBE-QFBILLFUSA-N 1 3 310.445 3.012 10 0 DGAEHO c1[nH]nc2cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc12 ZINC000246099980 432094702 /nfs/dbraw/zinc/09/47/02/432094702.db2.gz JDZSUNSPLGPOBE-QFBILLFUSA-N 1 3 310.445 3.012 10 0 DGAEHO Cc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)ccn1 ZINC000449403929 240180849 /nfs/dbraw/zinc/18/08/49/240180849.db2.gz SEQVMGKHHPNVKL-QHAWAJNXSA-N 1 3 321.468 3.390 10 0 DGAEHO CCC[NH+]1CCC(CN[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091333053 193041959 /nfs/dbraw/zinc/04/19/59/193041959.db2.gz QZZLFLYPHPETGV-OAHLLOKOSA-N 1 3 314.477 3.346 10 0 DGAEHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OC2CCC2)[C@@H](C)C1 ZINC000246294835 432116560 /nfs/dbraw/zinc/11/65/60/432116560.db2.gz CQCWQEQKUONZQF-MAUKXSAKSA-N 1 3 302.462 3.438 10 0 DGAEHO COc1ccc(CC2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000125076655 284269392 /nfs/dbraw/zinc/26/93/92/284269392.db2.gz WWPWYRBCOZHIFG-IBGZPJMESA-N 1 3 316.489 3.434 10 0 DGAEHO COc1ccc(CC2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000125076655 284269393 /nfs/dbraw/zinc/26/93/93/284269393.db2.gz WWPWYRBCOZHIFG-IBGZPJMESA-N 1 3 316.489 3.434 10 0 DGAEHO c1ccc(OCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246487240 432135701 /nfs/dbraw/zinc/13/57/01/432135701.db2.gz GXMYRTWTMPQYNV-QFBILLFUSA-N 1 3 300.446 3.014 10 0 DGAEHO c1ccc(OCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246487240 432135703 /nfs/dbraw/zinc/13/57/03/432135703.db2.gz GXMYRTWTMPQYNV-QFBILLFUSA-N 1 3 300.446 3.014 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000344032687 254216231 /nfs/dbraw/zinc/21/62/31/254216231.db2.gz HYGCPDAWXKRZAD-MANSERQUSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000344032687 254216233 /nfs/dbraw/zinc/21/62/33/254216233.db2.gz HYGCPDAWXKRZAD-MANSERQUSA-N 1 3 300.446 3.123 10 0 DGAEHO CC[NH+](CC)[C@H]1CCO[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000503716196 257209337 /nfs/dbraw/zinc/20/93/37/257209337.db2.gz DWEYLOLCPVYPDA-OALUTQOASA-N 1 3 320.452 3.291 10 0 DGAEHO CCSCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000393905877 400280016 /nfs/dbraw/zinc/28/00/16/400280016.db2.gz MJDLAJRUYWENCN-FGTMMUONSA-N 1 3 304.503 3.240 10 0 DGAEHO C[NH2+]CCOCCN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000629571461 400979312 /nfs/dbraw/zinc/97/93/12/400979312.db2.gz MMZBYYUBMRBIKS-NSHDSACASA-N 1 3 305.249 3.222 10 0 DGAEHO c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000635009863 401401917 /nfs/dbraw/zinc/40/19/17/401401917.db2.gz WWWLWPFMIFGRGX-LWCVALJOSA-N 1 3 313.489 3.486 10 0 DGAEHO Cc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000631194433 401422694 /nfs/dbraw/zinc/42/26/94/401422694.db2.gz LAMDUNWEKMEKQS-OXJNMPFZSA-N 1 3 309.457 3.248 10 0 DGAEHO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284084 286275441 /nfs/dbraw/zinc/27/54/41/286275441.db2.gz YWTDOGVECTZGHF-CXAGYDPISA-N 1 3 317.433 3.162 10 0 DGAEHO CC[N@H+]1CC[C@H](CN[C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284084 286275442 /nfs/dbraw/zinc/27/54/42/286275442.db2.gz YWTDOGVECTZGHF-CXAGYDPISA-N 1 3 317.433 3.162 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284084 286275443 /nfs/dbraw/zinc/27/54/43/286275443.db2.gz YWTDOGVECTZGHF-CXAGYDPISA-N 1 3 317.433 3.162 10 0 DGAEHO COCCC1(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CCCCC1 ZINC000187353533 165087620 /nfs/dbraw/zinc/08/76/20/165087620.db2.gz PIJCWRLFXPQKQU-GOSISDBHSA-N 1 3 308.510 3.391 10 0 DGAEHO COCCC1(C[N@H+]2CC[C@H](CN3CCCC3)C2)CCCCC1 ZINC000187353533 165087623 /nfs/dbraw/zinc/08/76/23/165087623.db2.gz PIJCWRLFXPQKQU-GOSISDBHSA-N 1 3 308.510 3.391 10 0 DGAEHO C[NH+](C)CC1CCC(NCc2nccn2-c2ccccc2)CC1 ZINC000191463089 165252302 /nfs/dbraw/zinc/25/23/02/165252302.db2.gz PSBWVRYJERYQBX-UHFFFAOYSA-N 1 3 312.461 3.082 10 0 DGAEHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246827321 432169813 /nfs/dbraw/zinc/16/98/13/432169813.db2.gz BLPBSGBHPNZKCF-FXAWDEMLSA-N 1 3 315.505 3.032 10 0 DGAEHO COc1ccc(OC)c([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC000131831508 196202890 /nfs/dbraw/zinc/20/28/90/196202890.db2.gz CTEQPQIOQRXBPI-HNSVSWJLSA-N 1 3 318.461 3.370 10 0 DGAEHO C[C@H]1c2cccc(Br)c2CCN1CC1CC[NH2+]CC1 ZINC000262018930 280124699 /nfs/dbraw/zinc/12/46/99/280124699.db2.gz VZKMEUBPBRZYJL-LBPRGKRZSA-N 1 3 323.278 3.368 10 0 DGAEHO Fc1ccc(CCN2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000151934836 432289937 /nfs/dbraw/zinc/28/99/37/432289937.db2.gz IHVZLDAPKIRDMZ-UHFFFAOYSA-N 1 3 308.416 3.315 10 0 DGAEHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000191417256 432262978 /nfs/dbraw/zinc/26/29/78/432262978.db2.gz HIWHILDDNZTSGG-UHFFFAOYSA-N 1 3 323.912 3.188 10 0 DGAEHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000191417256 432262981 /nfs/dbraw/zinc/26/29/81/432262981.db2.gz HIWHILDDNZTSGG-UHFFFAOYSA-N 1 3 323.912 3.188 10 0 DGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccccc1 ZINC000174252931 432331360 /nfs/dbraw/zinc/33/13/60/432331360.db2.gz WTWRWRGDXDKLPI-GOSISDBHSA-N 1 3 315.505 3.288 10 0 DGAEHO Cc1ccc2cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc2n1 ZINC000249850564 432360037 /nfs/dbraw/zinc/36/00/37/432360037.db2.gz PINHYZFHXHGBEI-ICSRJNTNSA-N 1 3 309.457 3.459 10 0 DGAEHO Cc1ccc2cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2n1 ZINC000249850564 432360042 /nfs/dbraw/zinc/36/00/42/432360042.db2.gz PINHYZFHXHGBEI-ICSRJNTNSA-N 1 3 309.457 3.459 10 0 DGAEHO Cc1ccc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCCN4C)C3)ccc2n1 ZINC000249850564 432360047 /nfs/dbraw/zinc/36/00/47/432360047.db2.gz PINHYZFHXHGBEI-ICSRJNTNSA-N 1 3 309.457 3.459 10 0 DGAEHO Cc1ccc2cc(C[N@H+]3CC[C@H]4[C@@H](CCCN4C)C3)ccc2n1 ZINC000249850564 432360052 /nfs/dbraw/zinc/36/00/52/432360052.db2.gz PINHYZFHXHGBEI-ICSRJNTNSA-N 1 3 309.457 3.459 10 0 DGAEHO COc1ccc(CCC2CCN(C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261714524 432443929 /nfs/dbraw/zinc/44/39/29/432443929.db2.gz DZCUMUULAVZJGG-HXUWFJFHSA-N 1 3 316.489 3.339 10 0 DGAEHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cn[nH]c1 ZINC000271532743 432416503 /nfs/dbraw/zinc/41/65/03/432416503.db2.gz PSUSFPOGVZKLOI-FMJMRLDVSA-N 1 3 310.445 3.256 10 0 DGAEHO COc1ccc(C[C@@H](C)C[NH+]2CCC(N(C)C)CC2)cc1F ZINC000186627544 432614691 /nfs/dbraw/zinc/61/46/91/432614691.db2.gz MKJXSXLIYOPIDX-CQSZACIVSA-N 1 3 308.441 3.039 10 0 DGAEHO c1[nH]c2ncccc2c1C1CC[NH+](CCCN2CCCC2)CC1 ZINC000162844718 432835770 /nfs/dbraw/zinc/83/57/70/432835770.db2.gz FWCYSMMZFHGYQT-UHFFFAOYSA-N 1 3 312.461 3.228 10 0 DGAEHO O[C@@H](C[C@H]1CCCN1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163182079 432844686 /nfs/dbraw/zinc/84/46/86/432844686.db2.gz CHZJHBVMIZFTCH-MOPGFXCFSA-N 1 3 302.462 3.060 10 0 DGAEHO O[C@H](C[C@H]1CCCN1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163181989 432844997 /nfs/dbraw/zinc/84/49/97/432844997.db2.gz CHZJHBVMIZFTCH-RTBURBONSA-N 1 3 302.462 3.060 10 0 DGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000397584131 293847113 /nfs/dbraw/zinc/84/71/13/293847113.db2.gz GNZJQLBRDMIKMT-SFHVURJKSA-N 1 3 324.468 3.364 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CS1 ZINC000309772485 434094997 /nfs/dbraw/zinc/09/49/97/434094997.db2.gz HXTAFPXZNZGROP-IQZDNPOKSA-N 1 3 316.514 3.381 10 0 DGAEHO COC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(C)C ZINC000381766181 434274947 /nfs/dbraw/zinc/27/49/47/434274947.db2.gz NVIYPYAGKDHRCS-HAGHYFMRSA-N 1 3 316.489 3.158 10 0 DGAEHO Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000385076065 434299743 /nfs/dbraw/zinc/29/97/43/434299743.db2.gz XPNYQRNWHDYALH-PWRODBHTSA-N 1 3 321.468 3.390 10 0 DGAEHO COC[C@H](C)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000390769539 434367446 /nfs/dbraw/zinc/36/74/46/434367446.db2.gz KGQSMCKPVYOEEH-IEBWSBKVSA-N 1 3 304.478 3.161 10 0 DGAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1C[C@@H]1C ZINC000397558016 434442158 /nfs/dbraw/zinc/44/21/58/434442158.db2.gz QEYSHHDOLZWVLC-WDSOQIARSA-N 1 3 316.489 3.038 10 0 DGAEHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532647367 435183850 /nfs/dbraw/zinc/18/38/50/435183850.db2.gz HUELUFJINOIEOM-IRXDYDNUSA-N 1 3 324.509 3.305 10 0 DGAEHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532647367 435183854 /nfs/dbraw/zinc/18/38/54/435183854.db2.gz HUELUFJINOIEOM-IRXDYDNUSA-N 1 3 324.509 3.305 10 0 DGAEHO C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000567645845 315437947 /nfs/dbraw/zinc/43/79/47/315437947.db2.gz CYBDZNIZGALAKJ-IEBWSBKVSA-N 1 3 316.489 3.351 10 0 DGAEHO CC[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397512985 323681752 /nfs/dbraw/zinc/68/17/52/323681752.db2.gz QCHFMTFJLFVWFQ-MOPGFXCFSA-N 1 3 316.489 3.182 10 0 DGAEHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2(O)CCCCC2)C1 ZINC000113997885 620970376 /nfs/dbraw/zinc/97/03/76/620970376.db2.gz CKSJZVRHJCNTGJ-QZTJIDSGSA-N 1 3 308.510 3.268 10 0 DGAEHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2(O)CCCCC2)C1 ZINC000113997885 620970379 /nfs/dbraw/zinc/97/03/79/620970379.db2.gz CKSJZVRHJCNTGJ-QZTJIDSGSA-N 1 3 308.510 3.268 10 0 DGAEHO CC(C)OCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620465 661224898 /nfs/dbraw/zinc/22/48/98/661224898.db2.gz NJLFMTIUFUHYFL-ZCNNSNEGSA-N 1 3 316.489 3.444 10 0 DGAEHO CCC(O)(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716622142 661225189 /nfs/dbraw/zinc/22/51/89/661225189.db2.gz TVLDFPOLFSXQMH-OTWHNJEPSA-N 1 3 316.489 3.180 10 0 DGAEHO CO[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716654770 661225979 /nfs/dbraw/zinc/22/59/79/661225979.db2.gz LNKVTEDMANBODA-MUGJNUQGSA-N 1 3 316.489 3.300 10 0 DGAEHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716680298 661226480 /nfs/dbraw/zinc/22/64/80/661226480.db2.gz HVYHKFUKUPPXAL-HNULKUCHSA-N 1 3 316.489 3.036 10 0 DGAEHO CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)(C)O ZINC000716703076 661227382 /nfs/dbraw/zinc/22/73/82/661227382.db2.gz WZKVZLKBSLBGQJ-CADBVGFASA-N 1 3 316.489 3.179 10 0 DGAEHO C[C@@H](CC(C)(C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716688845 661227468 /nfs/dbraw/zinc/22/74/68/661227468.db2.gz BXDMVSDVRWJXIA-WNHJNPCNSA-N 1 3 316.489 3.179 10 0 DGAEHO C[C@@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716688843 661227732 /nfs/dbraw/zinc/22/77/32/661227732.db2.gz BXDMVSDVRWJXIA-KANFNMMFSA-N 1 3 316.489 3.179 10 0 DGAEHO C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H]1CCOC1 ZINC000716734797 661228146 /nfs/dbraw/zinc/22/81/46/661228146.db2.gz WLFGDTWMGMXBOG-UVBQOVKKSA-N 1 3 314.473 3.054 10 0 DGAEHO Cc1cc(C)cc([C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000173533627 659390443 /nfs/dbraw/zinc/39/04/43/659390443.db2.gz RWISYORZPNWYIP-FQEVSTJZSA-N 1 3 316.489 3.145 10 0 DGAEHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2(O)CCCCC2)C1 ZINC000246283846 662252495 /nfs/dbraw/zinc/25/24/95/662252495.db2.gz CKSJZVRHJCNTGJ-ROUUACIJSA-N 1 3 308.510 3.268 10 0 DGAEHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2(O)CCCCC2)C1 ZINC000246283846 662252496 /nfs/dbraw/zinc/25/24/96/662252496.db2.gz CKSJZVRHJCNTGJ-ROUUACIJSA-N 1 3 308.510 3.268 10 0 DGAEHO C[C@@H]([NH2+]CCc1ccns1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000719821717 662297269 /nfs/dbraw/zinc/29/72/69/662297269.db2.gz YADNWABNMIULIH-WBVHZDCISA-N 1 3 315.486 3.186 10 0 DGAEHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000249022370 662363090 /nfs/dbraw/zinc/36/30/90/662363090.db2.gz KKHFECIJHMYULH-RTBURBONSA-N 1 3 304.478 3.306 10 0 DGAEHO CCN(CC)CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000249022370 662363093 /nfs/dbraw/zinc/36/30/93/662363093.db2.gz KKHFECIJHMYULH-RTBURBONSA-N 1 3 304.478 3.306 10 0 DGAEHO c1[nH]nc2c1[C@@H]([NH2+]C[C@@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000401671683 1093963221 /nfs/dbraw/zinc/96/32/21/1093963221.db2.gz ZVYGQHZLDSKVIH-HKUYNNGSSA-N 1 3 324.472 3.289 10 0 DGAEHO c1[nH]nc2c1[C@@H](NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000401671683 1093963225 /nfs/dbraw/zinc/96/32/25/1093963225.db2.gz ZVYGQHZLDSKVIH-HKUYNNGSSA-N 1 3 324.472 3.289 10 0 DGAEHO c1[nH]nc2c1[C@@H](NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000401671683 1093963230 /nfs/dbraw/zinc/96/32/30/1093963230.db2.gz ZVYGQHZLDSKVIH-HKUYNNGSSA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@@]1(CN[C@@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000401661419 1093963699 /nfs/dbraw/zinc/96/36/99/1093963699.db2.gz VDUDAYBHIFDMBW-QUCCMNQESA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@@]1(CN[C@@H]2CCCc3n[nH]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000401661419 1093963702 /nfs/dbraw/zinc/96/37/02/1093963702.db2.gz VDUDAYBHIFDMBW-QUCCMNQESA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCN(Cc2ccccc2)C1 ZINC000401661419 1093963707 /nfs/dbraw/zinc/96/37/07/1093963707.db2.gz VDUDAYBHIFDMBW-QUCCMNQESA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405234015 1094311095 /nfs/dbraw/zinc/31/10/95/1094311095.db2.gz CMOGPNKZWIKRPE-KCPJHIHWSA-N 1 3 323.278 3.240 10 0 DGAEHO c1ccc(CSCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038136 237026628 /nfs/dbraw/zinc/02/66/28/237026628.db2.gz HKUYGLSANFNDEH-ZWKOTPCHSA-N 1 3 304.503 3.384 10 0 DGAEHO c1ccc(OCCCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415039660 237027828 /nfs/dbraw/zinc/02/78/28/237027828.db2.gz JJVPGESMQNLCNU-PKOBYXMFSA-N 1 3 302.462 3.310 10 0 DGAEHO CN1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000128477239 284376853 /nfs/dbraw/zinc/37/68/53/284376853.db2.gz NFWOVUFGMQESQH-MSOLQXFVSA-N 1 3 309.542 3.209 10 0 DGAEHO CN(C)CCN1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000150982383 284544821 /nfs/dbraw/zinc/54/48/21/284544821.db2.gz PHXWQNWEIQKCRL-ROUUACIJSA-N 1 3 309.542 3.207 10 0 DGAEHO CN(C/C=C/Cl)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915760 194168681 /nfs/dbraw/zinc/16/86/81/194168681.db2.gz ZUHCTGJIOKVNDK-YPHWWSSASA-N 1 3 322.880 3.116 10 0 DGAEHO CN(Cc1cc(Br)cs1)CC1(C)CC[NH2+]CC1 ZINC000062841848 184256103 /nfs/dbraw/zinc/25/61/03/184256103.db2.gz REPUEYZJBLIZLK-UHFFFAOYSA-N 1 3 317.296 3.332 10 0 DGAEHO c1ccc(-c2cccc(CNC3CC[NH+](C4CC4)CC3)c2)nc1 ZINC000126456175 400492500 /nfs/dbraw/zinc/49/25/00/400492500.db2.gz KWIIWOIJCGFFHO-UHFFFAOYSA-N 1 3 307.441 3.465 10 0 DGAEHO CC[NH2+]CCCCN1CCN(c2cccc3sccc32)CC1 ZINC000142373906 400630078 /nfs/dbraw/zinc/63/00/78/400630078.db2.gz WPOGBUHVBYVXMG-UHFFFAOYSA-N 1 3 317.502 3.413 10 0 DGAEHO c1cc(CNCCCCC[NH+]2CCCCC2)n(CC2CCC2)n1 ZINC000631070674 401384196 /nfs/dbraw/zinc/38/41/96/401384196.db2.gz CPOBEXVYKMFNNC-UHFFFAOYSA-N 1 3 318.509 3.429 10 0 DGAEHO c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c2c(c1)CNCC2 ZINC000635010845 401402981 /nfs/dbraw/zinc/40/29/81/401402981.db2.gz NIZVSFWQGTWWCP-YZGWKJHDSA-N 1 3 314.473 3.017 10 0 DGAEHO COCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248411127 292322714 /nfs/dbraw/zinc/32/27/14/292322714.db2.gz YUYSEYXBLSPWLR-XUVXKRRUSA-N 1 3 316.489 3.303 10 0 DGAEHO Cc1ccc(-c2nc(CCN[C@@H]3CC[N@H+](C)[C@@H](C)C3)co2)cc1 ZINC000246985773 432188960 /nfs/dbraw/zinc/18/89/60/432188960.db2.gz KHLPZSZBLOVKQU-DOTOQJQBSA-N 1 3 313.445 3.265 10 0 DGAEHO Cc1ccc(-c2nc(CCN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)co2)cc1 ZINC000246985773 432188965 /nfs/dbraw/zinc/18/89/65/432188965.db2.gz KHLPZSZBLOVKQU-DOTOQJQBSA-N 1 3 313.445 3.265 10 0 DGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097035 431784446 /nfs/dbraw/zinc/78/44/46/431784446.db2.gz UMMBGKWFQUKXEG-VQIMIIECSA-N 1 3 312.461 3.034 10 0 DGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097035 431784450 /nfs/dbraw/zinc/78/44/50/431784450.db2.gz UMMBGKWFQUKXEG-VQIMIIECSA-N 1 3 312.461 3.034 10 0 DGAEHO COc1ccccc1C[C@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000125039598 431912039 /nfs/dbraw/zinc/91/20/39/431912039.db2.gz CMZMLLFRUTXASK-QZTJIDSGSA-N 1 3 302.462 3.186 10 0 DGAEHO COc1ccccc1C[C@H]1CCCN1CC[C@H]1CCC[N@H+]1C ZINC000125039598 431912040 /nfs/dbraw/zinc/91/20/40/431912040.db2.gz CMZMLLFRUTXASK-QZTJIDSGSA-N 1 3 302.462 3.186 10 0 DGAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000128790730 432000291 /nfs/dbraw/zinc/00/02/91/432000291.db2.gz IDGICVLNOKJDKM-NZSAHSFTSA-N 1 3 309.542 3.063 10 0 DGAEHO CC(C)CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261961767 432465117 /nfs/dbraw/zinc/46/51/17/432465117.db2.gz HJRUEQRFEFXMGV-HKUYNNGSSA-N 1 3 301.478 3.417 10 0 DGAEHO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(OCCN(C)C)c1 ZINC000187863814 432689649 /nfs/dbraw/zinc/68/96/49/432689649.db2.gz OWCXIUSARNJUOS-CRAIPNDOSA-N 1 3 320.477 3.235 10 0 DGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771533 432862416 /nfs/dbraw/zinc/86/24/16/432862416.db2.gz RWNVLTVTBLEVBF-FUHWJXTLSA-N 1 3 304.478 3.474 10 0 DGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771533 432862418 /nfs/dbraw/zinc/86/24/18/432862418.db2.gz RWNVLTVTBLEVBF-FUHWJXTLSA-N 1 3 304.478 3.474 10 0 DGAEHO CCc1csc([C@@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163007348 432840010 /nfs/dbraw/zinc/84/00/10/432840010.db2.gz DKWNPYYMFBIFFH-ZBFHGGJFSA-N 1 3 307.507 3.369 10 0 DGAEHO CCc1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163007348 432840013 /nfs/dbraw/zinc/84/00/13/432840013.db2.gz DKWNPYYMFBIFFH-ZBFHGGJFSA-N 1 3 307.507 3.369 10 0 DGAEHO O[C@@H](c1ccc(F)cc1)C1CC[NH+](CCCN2CCCC2)CC1 ZINC000163112392 432843890 /nfs/dbraw/zinc/84/38/90/432843890.db2.gz UEFCPNUICKLXLO-IBGZPJMESA-N 1 3 320.452 3.057 10 0 DGAEHO O[C@H](C[C@H]1CCCN1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388782 432851161 /nfs/dbraw/zinc/85/11/61/432851161.db2.gz DRBWETZGFKIZIF-RTBURBONSA-N 1 3 320.452 3.200 10 0 DGAEHO Cc1cc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000376058394 433653813 /nfs/dbraw/zinc/65/38/13/433653813.db2.gz PPZNUXSRBJYHRB-DNVCBOLYSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000376058394 433653821 /nfs/dbraw/zinc/65/38/21/433653821.db2.gz PPZNUXSRBJYHRB-DNVCBOLYSA-N 1 3 313.445 3.026 10 0 DGAEHO c1ccc([C@@H]2CCCC[C@@H](NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000415046201 433974619 /nfs/dbraw/zinc/97/46/19/433974619.db2.gz UNDSGBMGDRZTLX-GUDVDZBRSA-N 1 3 302.462 3.071 10 0 DGAEHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510671363 294389380 /nfs/dbraw/zinc/38/93/80/294389380.db2.gz ZOADVOHHTMXPHH-PMACEKPBSA-N 1 3 316.489 3.338 10 0 DGAEHO CCC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)OC ZINC000386509006 434311694 /nfs/dbraw/zinc/31/16/94/434311694.db2.gz WWVJKZVIXQRHEP-MTQWCTHYSA-N 1 3 316.489 3.302 10 0 DGAEHO CCC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000386509006 434311704 /nfs/dbraw/zinc/31/17/04/434311704.db2.gz WWVJKZVIXQRHEP-MTQWCTHYSA-N 1 3 316.489 3.302 10 0 DGAEHO CCC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000386509006 434311715 /nfs/dbraw/zinc/31/17/15/434311715.db2.gz WWVJKZVIXQRHEP-MTQWCTHYSA-N 1 3 316.489 3.302 10 0 DGAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397715507 434442917 /nfs/dbraw/zinc/44/29/17/434442917.db2.gz QLEXYDFVXLWNPI-SJLPKXTDSA-N 1 3 316.489 3.038 10 0 DGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2=CCOCC2)C3)cc1 ZINC000453284418 434849400 /nfs/dbraw/zinc/84/94/00/434849400.db2.gz INBJYKLSHODIAD-OWZKRDHZSA-N 1 3 312.457 3.118 10 0 DGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2=CCOCC2)C3)cc1 ZINC000453284418 434849402 /nfs/dbraw/zinc/84/94/02/434849402.db2.gz INBJYKLSHODIAD-OWZKRDHZSA-N 1 3 312.457 3.118 10 0 DGAEHO c1nc2ccccc2n1-c1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000579859549 435188549 /nfs/dbraw/zinc/18/85/49/435188549.db2.gz WVBKJNASWXXYSV-UHFFFAOYSA-N 1 3 320.440 3.211 10 0 DGAEHO CCCN(CC)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000484472057 435545654 /nfs/dbraw/zinc/54/56/54/435545654.db2.gz JPMNKJMZXBTDQY-ICSRJNTNSA-N 1 3 317.521 3.219 10 0 DGAEHO CC1=CCN(CCNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000545167211 314229583 /nfs/dbraw/zinc/22/95/83/314229583.db2.gz SYJOWNDJIRNFCK-UHFFFAOYSA-N 1 3 305.510 3.025 10 0 DGAEHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713115676 661190258 /nfs/dbraw/zinc/19/02/58/661190258.db2.gz IIKMYACQCIVKMP-PWSUYJOCSA-N 1 3 317.296 3.160 10 0 DGAEHO COC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716620031 661225124 /nfs/dbraw/zinc/22/51/24/661225124.db2.gz KKKCLGCPCQWEMR-MUGJNUQGSA-N 1 3 316.489 3.300 10 0 DGAEHO COC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620406 661225206 /nfs/dbraw/zinc/22/52/06/661225206.db2.gz MTLVQGCJTMVMRQ-FHWLQOOXSA-N 1 3 316.489 3.444 10 0 DGAEHO C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716671659 661225956 /nfs/dbraw/zinc/22/59/56/661225956.db2.gz HKWINKYCTZXHBE-VINWQNLFSA-N 1 3 316.514 3.381 10 0 DGAEHO CO[C@@H](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716670708 661226290 /nfs/dbraw/zinc/22/62/90/661226290.db2.gz DBEBDSKXDALESC-KANFNMMFSA-N 1 3 302.462 3.054 10 0 DGAEHO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)(C)O ZINC000716703077 661227632 /nfs/dbraw/zinc/22/76/32/661227632.db2.gz WZKVZLKBSLBGQJ-RDGPPVDQSA-N 1 3 316.489 3.179 10 0 DGAEHO Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)n1 ZINC000195516349 656212425 /nfs/dbraw/zinc/21/24/25/656212425.db2.gz YXEXEBKBWKWKBO-OAHLLOKOSA-N 1 3 316.836 3.372 10 0 DGAEHO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)n1 ZINC000195516349 656212428 /nfs/dbraw/zinc/21/24/28/656212428.db2.gz YXEXEBKBWKWKBO-OAHLLOKOSA-N 1 3 316.836 3.372 10 0 DGAEHO C[C@@H]1CN(CC2CC[NH+](CCc3cccs3)CC2)C[C@H](C)O1 ZINC000069016723 659972683 /nfs/dbraw/zinc/97/26/83/659972683.db2.gz OIFZXFKIZFODRN-IYBDPMFKSA-N 1 3 322.518 3.112 10 0 DGAEHO Cc1nn(C)c(C)c1C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000080206437 1197046158 /nfs/dbraw/zinc/04/61/58/1197046158.db2.gz VELPXWYEBIGYQT-HNNXBMFYSA-N 1 3 314.477 3.037 10 0 DGAEHO c1[nH]nc2c1[C@H]([NH2+]C[C@@H]1CCCN(Cc3ccccc3)C1)CCC2 ZINC000401671693 1093963498 /nfs/dbraw/zinc/96/34/98/1093963498.db2.gz ZVYGQHZLDSKVIH-PKOBYXMFSA-N 1 3 324.472 3.289 10 0 DGAEHO c1[nH]nc2c1[C@H](NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000401671693 1093963501 /nfs/dbraw/zinc/96/35/01/1093963501.db2.gz ZVYGQHZLDSKVIH-PKOBYXMFSA-N 1 3 324.472 3.289 10 0 DGAEHO c1[nH]nc2c1[C@H](NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000401671693 1093963504 /nfs/dbraw/zinc/96/35/04/1093963504.db2.gz ZVYGQHZLDSKVIH-PKOBYXMFSA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@@]1(C[NH2+]Cc2ccns2)CCN(Cc2ccccc2)C1 ZINC000404428186 1094256949 /nfs/dbraw/zinc/25/69/49/1094256949.db2.gz JYEOTSSSMJDSGU-KRWDZBQOSA-N 1 3 301.459 3.145 10 0 DGAEHO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000309905300 231108084 /nfs/dbraw/zinc/10/80/84/231108084.db2.gz JWULKHHLDRANEC-LTFPLMDUSA-N 1 3 314.473 3.054 10 0 DGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCSC4)[C@@H]3C2)cc1 ZINC000278745170 214371336 /nfs/dbraw/zinc/37/13/36/214371336.db2.gz MTDWWWCRMSPKJA-HCXYKTFWSA-N 1 3 316.514 3.240 10 0 DGAEHO CC(C)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106127304 432019947 /nfs/dbraw/zinc/01/99/47/432019947.db2.gz PGOYPVYYZSXHRW-LJQANCHMSA-N 1 3 304.478 3.020 10 0 DGAEHO CC(C)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106127304 432019949 /nfs/dbraw/zinc/01/99/49/432019949.db2.gz PGOYPVYYZSXHRW-LJQANCHMSA-N 1 3 304.478 3.020 10 0 DGAEHO C[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)CN1CCCC1 ZINC000493847910 246084781 /nfs/dbraw/zinc/08/47/81/246084781.db2.gz RTWWDTVYIXGJSP-IVMQYODDSA-N 1 3 302.462 3.056 10 0 DGAEHO C[C@@H](CNC1CC(OCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000493847910 246084785 /nfs/dbraw/zinc/08/47/85/246084785.db2.gz RTWWDTVYIXGJSP-IVMQYODDSA-N 1 3 302.462 3.056 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000344032688 254216211 /nfs/dbraw/zinc/21/62/11/254216211.db2.gz HYGCPDAWXKRZAD-MKXGPGLRSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000344032688 254216212 /nfs/dbraw/zinc/21/62/12/254216212.db2.gz HYGCPDAWXKRZAD-MKXGPGLRSA-N 1 3 300.446 3.123 10 0 DGAEHO c1cn(-c2csc(C[NH2+]C3CC(N4CCCCC4)C3)c2)cn1 ZINC000355575518 266121455 /nfs/dbraw/zinc/12/14/55/266121455.db2.gz ACJJRNLGRNAQJK-UHFFFAOYSA-N 1 3 316.474 3.040 10 0 DGAEHO C[C@@H](CC[NH2+][C@H]1CCCc2n[nH]cc21)N(C)Cc1ccccc1 ZINC000367601925 271048705 /nfs/dbraw/zinc/04/87/05/271048705.db2.gz QKJQMCHTWPWHCC-YJBOKZPZSA-N 1 3 312.461 3.287 10 0 DGAEHO Cn1cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000119170931 431656623 /nfs/dbraw/zinc/65/66/23/431656623.db2.gz WTPKTYIXLISUSP-YQQQUEKLSA-N 1 3 309.457 3.310 10 0 DGAEHO COc1ccc([C@H]2C[C@H](C)N(CCC[NH+]3CCCC3)C2)cc1 ZINC000118998503 431632623 /nfs/dbraw/zinc/63/26/23/431632623.db2.gz HUMQMTSMXOKANL-WMZOPIPTSA-N 1 3 302.462 3.359 10 0 DGAEHO C[C@@H]1CCC[C@@H](CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000089126120 431860506 /nfs/dbraw/zinc/86/05/06/431860506.db2.gz JJZMNZULLRGTNZ-AABGKKOBSA-N 1 3 321.553 3.305 10 0 DGAEHO C[C@@H]1CCC[C@@H](CCN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000089126120 431860507 /nfs/dbraw/zinc/86/05/07/431860507.db2.gz JJZMNZULLRGTNZ-AABGKKOBSA-N 1 3 321.553 3.305 10 0 DGAEHO Cc1ccccc1[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000191604913 432282636 /nfs/dbraw/zinc/28/26/36/432282636.db2.gz DTDYKNDEUJBKCA-SFHVURJKSA-N 1 3 303.494 3.062 10 0 DGAEHO CN1CCC[C@H]2C[N@H+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576872 432303620 /nfs/dbraw/zinc/30/36/20/432303620.db2.gz NQEGDKJEBWYYJG-RBUKOAKNSA-N 1 3 302.462 3.009 10 0 DGAEHO CN1CCC[C@H]2C[N@@H+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576872 432303626 /nfs/dbraw/zinc/30/36/26/432303626.db2.gz NQEGDKJEBWYYJG-RBUKOAKNSA-N 1 3 302.462 3.009 10 0 DGAEHO CCCC[C@H](CC)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000183644343 432312537 /nfs/dbraw/zinc/31/25/37/432312537.db2.gz CRXAYDKKGZTGSH-GURQWTFNSA-N 1 3 321.553 3.446 10 0 DGAEHO CCCC[C@H](CC)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000183644343 432312541 /nfs/dbraw/zinc/31/25/41/432312541.db2.gz CRXAYDKKGZTGSH-GURQWTFNSA-N 1 3 321.553 3.446 10 0 DGAEHO CCOc1ccc(OCCN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000174781930 432370105 /nfs/dbraw/zinc/37/01/05/432370105.db2.gz YKAYGJNABXNCDF-APWZRJJASA-N 1 3 320.477 3.126 10 0 DGAEHO CCOc1ccc(OCCN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000174781930 432370110 /nfs/dbraw/zinc/37/01/10/432370110.db2.gz YKAYGJNABXNCDF-APWZRJJASA-N 1 3 320.477 3.126 10 0 DGAEHO COc1ccc(CCC2CC[NH+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000261644341 432436420 /nfs/dbraw/zinc/43/64/20/432436420.db2.gz ANYYQPAINLDLBV-LJQANCHMSA-N 1 3 316.489 3.339 10 0 DGAEHO COc1ccc(CCC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000261644341 432436424 /nfs/dbraw/zinc/43/64/24/432436424.db2.gz ANYYQPAINLDLBV-LJQANCHMSA-N 1 3 316.489 3.339 10 0 DGAEHO CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261913203 432460203 /nfs/dbraw/zinc/46/02/03/432460203.db2.gz YVLJVAPGFHWQBO-YSIASYRMSA-N 1 3 315.505 3.143 10 0 DGAEHO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(OCCN(C)C)cc1 ZINC000187870698 432690080 /nfs/dbraw/zinc/69/00/80/432690080.db2.gz PYTLKNAPQZFDNQ-MAUKXSAKSA-N 1 3 320.477 3.235 10 0 DGAEHO CN1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000161922680 432804433 /nfs/dbraw/zinc/80/44/33/432804433.db2.gz ZSLGYGOVXPKBMM-INIZCTEOSA-N 1 3 306.425 3.153 10 0 DGAEHO CC1(C)[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245838905 432865721 /nfs/dbraw/zinc/86/57/21/432865721.db2.gz DALZMFZPYFBLNA-IPMKNSEASA-N 1 3 320.521 3.434 10 0 DGAEHO CC1(C)[C@H](NC2CC[NH+](CC3CCCC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245838905 432865724 /nfs/dbraw/zinc/86/57/24/432865724.db2.gz DALZMFZPYFBLNA-IPMKNSEASA-N 1 3 320.521 3.434 10 0 DGAEHO CCc1csc([C@@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245584198 432847749 /nfs/dbraw/zinc/84/77/49/432847749.db2.gz DKWNPYYMFBIFFH-GDBMZVCRSA-N 1 3 307.507 3.369 10 0 DGAEHO CCc1csc([C@@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245584198 432847752 /nfs/dbraw/zinc/84/77/52/432847752.db2.gz DKWNPYYMFBIFFH-GDBMZVCRSA-N 1 3 307.507 3.369 10 0 DGAEHO CO[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000373054270 433081875 /nfs/dbraw/zinc/08/18/75/433081875.db2.gz HPBMZYXTFYRAAQ-HAGHYFMRSA-N 1 3 316.489 3.443 10 0 DGAEHO CO[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000373054270 433081880 /nfs/dbraw/zinc/08/18/80/433081880.db2.gz HPBMZYXTFYRAAQ-HAGHYFMRSA-N 1 3 316.489 3.443 10 0 DGAEHO C[C@@H]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000453410399 433164760 /nfs/dbraw/zinc/16/47/60/433164760.db2.gz PJHHWVHGDFEGAB-XIKSMUEASA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@@H]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000453410399 433164772 /nfs/dbraw/zinc/16/47/72/433164772.db2.gz PJHHWVHGDFEGAB-XIKSMUEASA-N 1 3 314.473 3.339 10 0 DGAEHO CN1CCC(C[NH2+][C@@H]2CCC23CCCC3)(N2CCCCC2)CC1 ZINC000189138137 289879175 /nfs/dbraw/zinc/87/91/75/289879175.db2.gz YIRBSYPCYIYYJT-GOSISDBHSA-N 1 3 319.537 3.249 10 0 DGAEHO Cc1cc(N(C)CC[NH+](C)C)c2cc(OC(F)F)ccc2n1 ZINC000301484832 433575239 /nfs/dbraw/zinc/57/52/39/433575239.db2.gz VWTMZXNERXKUFR-UHFFFAOYSA-N 1 3 309.360 3.142 10 0 DGAEHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000309750632 434098132 /nfs/dbraw/zinc/09/81/32/434098132.db2.gz ZFBYRHJFBYQJAV-WRNCNIFXSA-N 1 3 316.514 3.238 10 0 DGAEHO c1ccc([C@@H](NCc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCOC2)cc1 ZINC000563269330 315096805 /nfs/dbraw/zinc/09/68/05/315096805.db2.gz NAWNYVZGXUQXLS-PZJWPPBQSA-N 1 3 322.452 3.200 10 0 DGAEHO CC[N@H+](CCO)CCCNc1cc(C)nc2cc(Cl)ccc21 ZINC000584602978 337371191 /nfs/dbraw/zinc/37/11/91/337371191.db2.gz HUTOKXIMFTUHDI-UHFFFAOYSA-N 1 3 321.852 3.313 10 0 DGAEHO CC[N@@H+](CCO)CCCNc1cc(C)nc2cc(Cl)ccc21 ZINC000584602978 337371192 /nfs/dbraw/zinc/37/11/92/337371192.db2.gz HUTOKXIMFTUHDI-UHFFFAOYSA-N 1 3 321.852 3.313 10 0 DGAEHO Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000310497462 534417349 /nfs/dbraw/zinc/41/73/49/534417349.db2.gz IONSKDFULSSZNS-HMXCVIKNSA-N 1 3 321.468 3.390 10 0 DGAEHO Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000310497460 534419438 /nfs/dbraw/zinc/41/94/38/534419438.db2.gz IONSKDFULSSZNS-HLAWJBBLSA-N 1 3 321.468 3.390 10 0 DGAEHO Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000310497464 534421524 /nfs/dbraw/zinc/42/15/24/534421524.db2.gz IONSKDFULSSZNS-SESVDKBCSA-N 1 3 321.468 3.390 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000163267942 521717911 /nfs/dbraw/zinc/71/79/11/521717911.db2.gz YDFUQLNVNSFJFO-SJLPKXTDSA-N 1 3 302.462 3.449 10 0 DGAEHO CCCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623071 661224854 /nfs/dbraw/zinc/22/48/54/661224854.db2.gz XJERQLQPDWGEPW-UFYCRDLUSA-N 1 3 316.489 3.446 10 0 DGAEHO CCCCOCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623071 661224856 /nfs/dbraw/zinc/22/48/56/661224856.db2.gz XJERQLQPDWGEPW-UFYCRDLUSA-N 1 3 316.489 3.446 10 0 DGAEHO CCCCOCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623071 661224858 /nfs/dbraw/zinc/22/48/58/661224858.db2.gz XJERQLQPDWGEPW-UFYCRDLUSA-N 1 3 316.489 3.446 10 0 DGAEHO COCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716622128 661225227 /nfs/dbraw/zinc/22/52/27/661225227.db2.gz TUIACNFIQWKBOX-ZCNNSNEGSA-N 1 3 316.489 3.446 10 0 DGAEHO CCOC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674239 661226548 /nfs/dbraw/zinc/22/65/48/661226548.db2.gz WERMMIDEDSJYRD-KANFNMMFSA-N 1 3 302.462 3.054 10 0 DGAEHO CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674220 661226742 /nfs/dbraw/zinc/22/67/42/661226742.db2.gz VVUQRZOZJNCFHG-OKYOBFRVSA-N 1 3 302.462 3.054 10 0 DGAEHO CC1(C)OCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716730465 661228137 /nfs/dbraw/zinc/22/81/37/661228137.db2.gz WYZPWWIRBSIEAQ-CADBVGFASA-N 1 3 314.473 3.197 10 0 DGAEHO Cc1nn(C)c(C)c1C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000080206435 1197045582 /nfs/dbraw/zinc/04/55/82/1197045582.db2.gz VELPXWYEBIGYQT-OAHLLOKOSA-N 1 3 314.477 3.037 10 0 DGAEHO CC[NH2+]Cc1ccccc1NC(=O)c1cccc(CN(C)C)c1 ZINC000237094714 202151685 /nfs/dbraw/zinc/15/16/85/202151685.db2.gz TWYWRLBSXYMZFV-UHFFFAOYSA-N 1 3 311.429 3.110 10 0 DGAEHO Cc1cc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)ccn1 ZINC000449403928 240178880 /nfs/dbraw/zinc/17/88/80/240178880.db2.gz SEQVMGKHHPNVKL-PWRODBHTSA-N 1 3 321.468 3.390 10 0 DGAEHO CCN1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@@H](C)C1 ZINC000246294849 432117194 /nfs/dbraw/zinc/11/71/94/432117194.db2.gz CQCWQEQKUONZQF-YJBOKZPZSA-N 1 3 302.462 3.438 10 0 DGAEHO c1cn(-c2csc(CNC3CC[NH+](C4CCC4)CC3)c2)cn1 ZINC000344136696 254230686 /nfs/dbraw/zinc/23/06/86/254230686.db2.gz UMQXFKUUITZGGW-UHFFFAOYSA-N 1 3 316.474 3.040 10 0 DGAEHO c1ccc2c(c1)CO[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000629511752 400950802 /nfs/dbraw/zinc/95/08/02/400950802.db2.gz AIVBAVGOAOLUBO-LWYYNNOASA-N 1 3 314.473 3.028 10 0 DGAEHO c1cc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c2c(c1)CNCC2 ZINC000635009751 401402084 /nfs/dbraw/zinc/40/20/84/401402084.db2.gz KHOYKKCAMCZPTM-KFKAGJAMSA-N 1 3 314.473 3.017 10 0 DGAEHO Cc1ccccc1CN1CCC([NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246827337 432169958 /nfs/dbraw/zinc/16/99/58/432169958.db2.gz BLPBSGBHPNZKCF-PXNSSMCTSA-N 1 3 315.505 3.032 10 0 DGAEHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CCN1C ZINC000246935568 432182888 /nfs/dbraw/zinc/18/28/88/432182888.db2.gz HHNWLPMQHRKSDS-YZGWKJHDSA-N 1 3 315.505 3.113 10 0 DGAEHO c1csc(-c2n[nH]cc2C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000355586193 266124154 /nfs/dbraw/zinc/12/41/54/266124154.db2.gz RPLJSTZAUPMQPF-UHFFFAOYSA-N 1 3 316.474 3.245 10 0 DGAEHO c1cc(-c2n[nH]cc2C[NH2+]C2CC(N3CCCCC3)C2)cs1 ZINC000355595111 266127014 /nfs/dbraw/zinc/12/70/14/266127014.db2.gz FYLYGSIPNJUTJE-UHFFFAOYSA-N 1 3 316.474 3.245 10 0 DGAEHO C[C@H](CC[NH2+][C@H]1CCCc2n[nH]cc21)N(C)Cc1ccccc1 ZINC000367601924 271048885 /nfs/dbraw/zinc/04/88/85/271048885.db2.gz QKJQMCHTWPWHCC-QAPCUYQASA-N 1 3 312.461 3.287 10 0 DGAEHO Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368058313 271127439 /nfs/dbraw/zinc/12/74/39/271127439.db2.gz HKKCWHIQBTUOKM-YLJYHZDGSA-N 1 3 309.457 3.390 10 0 DGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccccc1 ZINC000174252918 432331574 /nfs/dbraw/zinc/33/15/74/432331574.db2.gz WTWRWRGDXDKLPI-SFHVURJKSA-N 1 3 315.505 3.288 10 0 DGAEHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(Br)cc1 ZINC000261589536 432432440 /nfs/dbraw/zinc/43/24/40/432432440.db2.gz WIOGTRGYIVJQIO-BYCMXARLSA-N 1 3 311.267 3.488 10 0 DGAEHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000193139259 432454248 /nfs/dbraw/zinc/45/42/48/432454248.db2.gz DJJQWAJQWXXPDE-ZWKOTPCHSA-N 1 3 321.553 3.351 10 0 DGAEHO CCc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192784964 432414407 /nfs/dbraw/zinc/41/44/07/432414407.db2.gz KNSGOMRVJXXOGT-SFHVURJKSA-N 1 3 317.521 3.316 10 0 DGAEHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000154292221 432488022 /nfs/dbraw/zinc/48/80/22/432488022.db2.gz DGYIQSOOGNUSFL-ROUUACIJSA-N 1 3 309.542 3.209 10 0 DGAEHO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(OCCN(C)C)cc1 ZINC000187870721 432690511 /nfs/dbraw/zinc/69/05/11/432690511.db2.gz PYTLKNAPQZFDNQ-CRAIPNDOSA-N 1 3 320.477 3.235 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446750070 433101473 /nfs/dbraw/zinc/10/14/73/433101473.db2.gz DQLMWAQJZGDELH-MOPGFXCFSA-N 1 3 304.478 3.159 10 0 DGAEHO C[C@@H]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000453410394 433162948 /nfs/dbraw/zinc/16/29/48/433162948.db2.gz PJHHWVHGDFEGAB-PKOFMYQESA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@@H]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000453410394 433162956 /nfs/dbraw/zinc/16/29/56/433162956.db2.gz PJHHWVHGDFEGAB-PKOFMYQESA-N 1 3 314.473 3.339 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000377579102 433920417 /nfs/dbraw/zinc/92/04/17/433920417.db2.gz HYGCPDAWXKRZAD-NCXUSEDFSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc([C@H]2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000377579102 433920429 /nfs/dbraw/zinc/92/04/29/433920429.db2.gz HYGCPDAWXKRZAD-NCXUSEDFSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc2nc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422777303 433994405 /nfs/dbraw/zinc/99/44/05/433994405.db2.gz FHXRJSFLGGFHKA-SXLOBPIMSA-N 1 3 309.457 3.288 10 0 DGAEHO COCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000363810830 434155019 /nfs/dbraw/zinc/15/50/19/434155019.db2.gz CGKLHWFYWOAMSG-MTFMMBMASA-N 1 3 316.489 3.302 10 0 DGAEHO C[NH+]1CCC(CCNCc2ccsc2Br)CC1 ZINC000388841425 434340818 /nfs/dbraw/zinc/34/08/18/434340818.db2.gz WAOMBAWTJAVSGF-UHFFFAOYSA-N 1 3 317.296 3.332 10 0 DGAEHO C[C@@H](NCCOCC1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573407625 434895097 /nfs/dbraw/zinc/89/50/97/434895097.db2.gz WGRPGRPLOQMUAQ-XLIONFOSSA-N 1 3 316.489 3.303 10 0 DGAEHO C[C@@H](NCCOCC1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573407625 434895101 /nfs/dbraw/zinc/89/51/01/434895101.db2.gz WGRPGRPLOQMUAQ-XLIONFOSSA-N 1 3 316.489 3.303 10 0 DGAEHO c1ccc2c(c1)O[C@H](C[NH2+]C1CCN(CC3CC3)CC1)CS2 ZINC000583934230 435258142 /nfs/dbraw/zinc/25/81/42/435258142.db2.gz VAGFEMSULTXFMS-MRXNPFEDSA-N 1 3 318.486 3.004 10 0 DGAEHO C/C(=C\c1ccccc1OC(F)F)CNCCC[NH+]1CCC1 ZINC000572617291 435847301 /nfs/dbraw/zinc/84/73/01/435847301.db2.gz YTBZWQAUHIBFTQ-WYMLVPIESA-N 1 3 310.388 3.377 10 0 DGAEHO Cc1ccc2[nH+]ccc(NCCCN3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000302174965 534523475 /nfs/dbraw/zinc/52/34/75/534523475.db2.gz WQMZQJXOJUIPGN-HZPDHXFCSA-N 1 3 313.445 3.454 10 0 DGAEHO CC(C)OCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620463 661224977 /nfs/dbraw/zinc/22/49/77/661224977.db2.gz NJLFMTIUFUHYFL-UFYCRDLUSA-N 1 3 316.489 3.444 10 0 DGAEHO CC(C)[C@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716621550 661225015 /nfs/dbraw/zinc/22/50/15/661225015.db2.gz RFSAKFAPZRNIRJ-MUGJNUQGSA-N 1 3 316.489 3.036 10 0 DGAEHO COC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716620033 661225142 /nfs/dbraw/zinc/22/51/42/661225142.db2.gz KKKCLGCPCQWEMR-ZGXWSNOMSA-N 1 3 316.489 3.300 10 0 DGAEHO C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000716662775 661226166 /nfs/dbraw/zinc/22/61/66/661226166.db2.gz PZMZIWLQRBSUQK-ONSCTEFMSA-N 1 3 314.473 3.197 10 0 DGAEHO COC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674257 661226475 /nfs/dbraw/zinc/22/64/75/661226475.db2.gz WWLFLHQTRIBTIN-KSZLIROESA-N 1 3 302.462 3.054 10 0 DGAEHO CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716696178 661227386 /nfs/dbraw/zinc/22/73/86/661227386.db2.gz BWJXZJNBEYEDSF-HVTWWXFQSA-N 1 3 314.473 3.054 10 0 DGAEHO CO[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716692401 661227416 /nfs/dbraw/zinc/22/74/16/661227416.db2.gz LQSDWIASIVWDOV-RNQOJCNYSA-N 1 3 314.473 3.054 10 0 DGAEHO C[C@@H](CCCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716695884 661227549 /nfs/dbraw/zinc/22/75/49/661227549.db2.gz ZITNLFSUUHLJDZ-FFGOWVMKSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@H]1C[C@@H](NCCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000719847143 662298075 /nfs/dbraw/zinc/29/80/75/662298075.db2.gz AWVFGFULLHRREQ-RDJZCZTQSA-N 1 3 315.486 3.328 10 0 DGAEHO C[C@H]1C[C@@H](NCCc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000719847143 662298076 /nfs/dbraw/zinc/29/80/76/662298076.db2.gz AWVFGFULLHRREQ-RDJZCZTQSA-N 1 3 315.486 3.328 10 0 DGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCSC4)[C@H]3C2)cc1 ZINC000278745186 214371510 /nfs/dbraw/zinc/37/15/10/214371510.db2.gz MTDWWWCRMSPKJA-VJANTYMQSA-N 1 3 316.514 3.240 10 0 DGAEHO CCN1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@H](C)C1 ZINC000090027358 185278943 /nfs/dbraw/zinc/27/89/43/185278943.db2.gz CQCWQEQKUONZQF-QAPCUYQASA-N 1 3 302.462 3.438 10 0 DGAEHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000237066488 202141697 /nfs/dbraw/zinc/14/16/97/202141697.db2.gz JZWZHGXZFYIEMN-KSSFIOAISA-N 1 3 311.429 3.071 10 0 DGAEHO c1nc(-c2ccccc2)[nH]c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000180123898 432079469 /nfs/dbraw/zinc/07/94/69/432079469.db2.gz ZMIBOWQOYXUFQN-UHFFFAOYSA-N 1 3 324.472 3.385 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)O2)cc1 ZINC000344032686 254215794 /nfs/dbraw/zinc/21/57/94/254215794.db2.gz HYGCPDAWXKRZAD-HCXYKTFWSA-N 1 3 300.446 3.123 10 0 DGAEHO c1ccc([C@@H]2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)O2)cc1 ZINC000344032686 254215795 /nfs/dbraw/zinc/21/57/95/254215795.db2.gz HYGCPDAWXKRZAD-HCXYKTFWSA-N 1 3 300.446 3.123 10 0 DGAEHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284088 286275494 /nfs/dbraw/zinc/27/54/94/286275494.db2.gz YWTDOGVECTZGHF-SUMWQHHRSA-N 1 3 317.433 3.162 10 0 DGAEHO CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284088 286275495 /nfs/dbraw/zinc/27/54/95/286275495.db2.gz YWTDOGVECTZGHF-SUMWQHHRSA-N 1 3 317.433 3.162 10 0 DGAEHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284088 286275496 /nfs/dbraw/zinc/27/54/96/286275496.db2.gz YWTDOGVECTZGHF-SUMWQHHRSA-N 1 3 317.433 3.162 10 0 DGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccs1 ZINC000124652162 287019008 /nfs/dbraw/zinc/01/90/08/287019008.db2.gz TUSGPOGDPAYDIG-MRXNPFEDSA-N 1 3 321.534 3.349 10 0 DGAEHO Cc1nc(C)c([C@@H](C)NCc2cccc3c2CC[NH2+]C3)s1 ZINC000123932713 431878786 /nfs/dbraw/zinc/87/87/86/431878786.db2.gz NMMOUWMLQVQMGR-LLVKDONJSA-N 1 3 301.459 3.256 10 0 DGAEHO CC[C@@H]1CCC[C@@H](CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000248490865 432296961 /nfs/dbraw/zinc/29/69/61/432296961.db2.gz NQNMQRKODDXUOH-VAMGGRTRSA-N 1 3 321.553 3.305 10 0 DGAEHO CC[C@@H]1CCC[C@@H](CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000248490865 432296962 /nfs/dbraw/zinc/29/69/62/432296962.db2.gz NQNMQRKODDXUOH-VAMGGRTRSA-N 1 3 321.553 3.305 10 0 DGAEHO CC1CCN(c2cc(NCCN(C)C)c3ccccc3[nH+]2)CC1 ZINC000253495233 432399216 /nfs/dbraw/zinc/39/92/16/432399216.db2.gz OCAYDXQKTVGDPT-UHFFFAOYSA-N 1 3 312.461 3.445 10 0 DGAEHO CC1(C)[C@H](NC[C@H](O)C[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000184554491 432404592 /nfs/dbraw/zinc/40/45/92/432404592.db2.gz XFOGXVGGXVRGBT-GBESFXJTSA-N 1 3 316.489 3.005 10 0 DGAEHO COCCC1(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)CCCCC1 ZINC000249846630 432360663 /nfs/dbraw/zinc/36/06/63/432360663.db2.gz OLQXXOILIUYQSS-ZWKOTPCHSA-N 1 3 308.510 3.390 10 0 DGAEHO COCCC1(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)CCCCC1 ZINC000249846630 432360667 /nfs/dbraw/zinc/36/06/67/432360667.db2.gz OLQXXOILIUYQSS-ZWKOTPCHSA-N 1 3 308.510 3.390 10 0 DGAEHO COc1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1C ZINC000261799899 432451494 /nfs/dbraw/zinc/45/14/94/432451494.db2.gz GWXGOOZOKKEGAP-MOPGFXCFSA-N 1 3 310.441 3.178 10 0 DGAEHO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(OCCN(C)C)cc1 ZINC000187870667 432690221 /nfs/dbraw/zinc/69/02/21/432690221.db2.gz PYTLKNAPQZFDNQ-QAPCUYQASA-N 1 3 320.477 3.235 10 0 DGAEHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000234696298 432739864 /nfs/dbraw/zinc/73/98/64/432739864.db2.gz DKSLSHHDYBUZGZ-PWSUYJOCSA-N 1 3 305.249 3.398 10 0 DGAEHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000453410396 433164537 /nfs/dbraw/zinc/16/45/37/433164537.db2.gz PJHHWVHGDFEGAB-RACLHMPKSA-N 1 3 314.473 3.339 10 0 DGAEHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000453410396 433164542 /nfs/dbraw/zinc/16/45/42/433164542.db2.gz PJHHWVHGDFEGAB-RACLHMPKSA-N 1 3 314.473 3.339 10 0 DGAEHO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000310020184 434107134 /nfs/dbraw/zinc/10/71/34/434107134.db2.gz RCGMBUOICCCLGN-OALUTQOASA-N 1 3 318.505 3.285 10 0 DGAEHO CC(C)(C)[C@@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310020184 434107142 /nfs/dbraw/zinc/10/71/42/434107142.db2.gz RCGMBUOICCCLGN-OALUTQOASA-N 1 3 318.505 3.285 10 0 DGAEHO CC(C)(C)[C@@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310020184 434107151 /nfs/dbraw/zinc/10/71/51/434107151.db2.gz RCGMBUOICCCLGN-OALUTQOASA-N 1 3 318.505 3.285 10 0 DGAEHO COC[C@@H](C)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000390769537 434364887 /nfs/dbraw/zinc/36/48/87/434364887.db2.gz KGQSMCKPVYOEEH-HKUYNNGSSA-N 1 3 304.478 3.161 10 0 DGAEHO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)c1 ZINC000124738551 295183434 /nfs/dbraw/zinc/18/34/34/295183434.db2.gz NLKCIBOTSLRUMP-MAUKXSAKSA-N 1 3 318.461 3.325 10 0 DGAEHO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)c1 ZINC000124738551 295183435 /nfs/dbraw/zinc/18/34/35/295183435.db2.gz NLKCIBOTSLRUMP-MAUKXSAKSA-N 1 3 318.461 3.325 10 0 DGAEHO CC(C)[N@H+](C)CC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000532950097 435201529 /nfs/dbraw/zinc/20/15/29/435201529.db2.gz ZMLBTNJIBPYYQK-UHFFFAOYSA-N 1 3 318.461 3.010 10 0 DGAEHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000532950097 435201532 /nfs/dbraw/zinc/20/15/32/435201532.db2.gz ZMLBTNJIBPYYQK-UHFFFAOYSA-N 1 3 318.461 3.010 10 0 DGAEHO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477919755 435286424 /nfs/dbraw/zinc/28/64/24/435286424.db2.gz FBVCCFQZQCZWQR-INIZCTEOSA-N 1 3 304.478 3.338 10 0 DGAEHO COc1ccc(C[C@H](C)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477919755 435286428 /nfs/dbraw/zinc/28/64/28/435286428.db2.gz FBVCCFQZQCZWQR-INIZCTEOSA-N 1 3 304.478 3.338 10 0 DGAEHO c1ccc(OCC2CC2)c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000516570749 435539723 /nfs/dbraw/zinc/53/97/23/435539723.db2.gz YRHZQGHLWVQZGO-GOSISDBHSA-N 1 3 314.473 3.297 10 0 DGAEHO COc1ccc(CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171388337 312718374 /nfs/dbraw/zinc/71/83/74/312718374.db2.gz VSDQAOMKHLEHMS-UHFFFAOYSA-N 1 3 302.462 3.046 10 0 DGAEHO c1ccc([C@H](NCc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCOC2)cc1 ZINC000563269328 315096947 /nfs/dbraw/zinc/09/69/47/315096947.db2.gz NAWNYVZGXUQXLS-FPOVZHCZSA-N 1 3 322.452 3.200 10 0 DGAEHO C[C@H](NCCOC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381305403 546739627 /nfs/dbraw/zinc/73/96/27/546739627.db2.gz JSFJQWXHQWNWNY-WMZOPIPTSA-N 1 3 304.478 3.302 10 0 DGAEHO C[C@H](NCCOC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381305403 546739631 /nfs/dbraw/zinc/73/96/31/546739631.db2.gz JSFJQWXHQWNWNY-WMZOPIPTSA-N 1 3 304.478 3.302 10 0 DGAEHO C[C@@H]1CN(Cc2csc(-c3ccsc3)n2)C[C@H]1CC[NH3+] ZINC000723903515 655729428 /nfs/dbraw/zinc/72/94/28/655729428.db2.gz WZICXQLZTLMHQL-VXGBXAGGSA-N 1 3 307.488 3.288 10 0 DGAEHO OCCCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309755100 655881572 /nfs/dbraw/zinc/88/15/72/655881572.db2.gz BRXYBHMRADUKIA-HSALFYBXSA-N 1 3 316.489 3.039 10 0 DGAEHO COCC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716620376 661225001 /nfs/dbraw/zinc/22/50/01/661225001.db2.gz MOURXUNBNFVFNM-AHTIFJERSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620228 661225039 /nfs/dbraw/zinc/22/50/39/661225039.db2.gz MGFYMRKKQSBOBH-FFGOWVMKSA-N 1 3 316.489 3.038 10 0 DGAEHO CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620038 661225128 /nfs/dbraw/zinc/22/51/28/661225128.db2.gz KPBYOVDSWOGHPT-NMLBUPMWSA-N 1 3 316.489 3.036 10 0 DGAEHO CS[C@@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716625104 661225166 /nfs/dbraw/zinc/22/51/66/661225166.db2.gz LQKXOSOUPHKSBY-DKIMLUQUSA-N 1 3 304.503 3.381 10 0 DGAEHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000716662774 661226046 /nfs/dbraw/zinc/22/60/46/661226046.db2.gz PZMZIWLQRBSUQK-MVBLQPKNSA-N 1 3 314.473 3.197 10 0 DGAEHO CC(C)(C)OCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716648973 661226171 /nfs/dbraw/zinc/22/61/71/661226171.db2.gz GUKLNKBUGMREGR-FHWLQOOXSA-N 1 3 316.489 3.444 10 0 DGAEHO CC(C)(C)OCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716648973 661226173 /nfs/dbraw/zinc/22/61/73/661226173.db2.gz GUKLNKBUGMREGR-FHWLQOOXSA-N 1 3 316.489 3.444 10 0 DGAEHO CC(C)(C)OCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716648973 661226175 /nfs/dbraw/zinc/22/61/75/661226175.db2.gz GUKLNKBUGMREGR-FHWLQOOXSA-N 1 3 316.489 3.444 10 0 DGAEHO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716671649 661226210 /nfs/dbraw/zinc/22/62/10/661226210.db2.gz HKWINKYCTZXHBE-LZBKUMLDSA-N 1 3 316.514 3.381 10 0 DGAEHO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716641231 661226299 /nfs/dbraw/zinc/22/62/99/661226299.db2.gz YDVCTEKCQJJZTQ-FLNBYBTLSA-N 1 3 316.489 3.179 10 0 DGAEHO COCC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716678659 661226731 /nfs/dbraw/zinc/22/67/31/661226731.db2.gz ABSWBJUAIHVRLM-BVBHFADKSA-N 1 3 302.462 3.054 10 0 DGAEHO CC[C@H](O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681581 661227561 /nfs/dbraw/zinc/22/75/61/661227561.db2.gz MFECBEKTEBGYSH-MUGJNUQGSA-N 1 3 316.489 3.180 10 0 DGAEHO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000187363693 661285030 /nfs/dbraw/zinc/28/50/30/661285030.db2.gz NMWMEXQCMLHMHH-DGCLKSJQSA-N 1 3 311.813 3.163 10 0 DGAEHO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000187363693 661285032 /nfs/dbraw/zinc/28/50/32/661285032.db2.gz NMWMEXQCMLHMHH-DGCLKSJQSA-N 1 3 311.813 3.163 10 0 DGAEHO CCOc1ccccc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261811104 657110957 /nfs/dbraw/zinc/11/09/57/657110957.db2.gz WYNDLEQGEIWUNP-MOPGFXCFSA-N 1 3 310.441 3.260 10 0 DGAEHO C[C@@]1(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927913 657200023 /nfs/dbraw/zinc/20/00/23/657200023.db2.gz CJQXIKYLLDZBPO-GDBMZVCRSA-N 1 3 312.379 3.494 10 0 DGAEHO [NH3+]C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1c1ccccc1 ZINC000262145867 657404772 /nfs/dbraw/zinc/40/47/72/657404772.db2.gz FKRGKUQUQUSXNA-QUCCMNQESA-N 1 3 316.489 3.400 10 0 DGAEHO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000309905301 231107889 /nfs/dbraw/zinc/10/78/89/231107889.db2.gz JWULKHHLDRANEC-MFKWGIFDSA-N 1 3 314.473 3.054 10 0 DGAEHO CC(C)=CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106127808 432020160 /nfs/dbraw/zinc/02/01/60/432020160.db2.gz UQLSEUZVTONOMP-HXUWFJFHSA-N 1 3 316.489 3.330 10 0 DGAEHO CC(C)=CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106127808 432020162 /nfs/dbraw/zinc/02/01/62/432020162.db2.gz UQLSEUZVTONOMP-HXUWFJFHSA-N 1 3 316.489 3.330 10 0 DGAEHO Fc1ccc(SCCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199803 545704315 /nfs/dbraw/zinc/70/43/15/545704315.db2.gz LNFSWMHOOPNIHH-KRWDZBQOSA-N 1 3 308.466 3.382 10 0 DGAEHO COCc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000179197034 432050066 /nfs/dbraw/zinc/05/00/66/432050066.db2.gz NFZGHAKLCFDNHE-UHFFFAOYSA-N 1 3 302.462 3.141 10 0 DGAEHO c1cc(CNCCCCC[NH+]2CCCC2)n(-c2ccccc2)n1 ZINC000292867577 223282754 /nfs/dbraw/zinc/28/27/54/223282754.db2.gz BDRDMCMFTYNLJQ-UHFFFAOYSA-N 1 3 312.461 3.228 10 0 DGAEHO C[C@@H]1CCC[C@@H](CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000246203375 432107014 /nfs/dbraw/zinc/10/70/14/432107014.db2.gz JJZMNZULLRGTNZ-HSALFYBXSA-N 1 3 321.553 3.305 10 0 DGAEHO C[C@@H]1CCC[C@@H](CCN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000246203375 432107017 /nfs/dbraw/zinc/10/70/17/432107017.db2.gz JJZMNZULLRGTNZ-HSALFYBXSA-N 1 3 321.553 3.305 10 0 DGAEHO CN1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000128477953 284376908 /nfs/dbraw/zinc/37/69/08/284376908.db2.gz NFWOVUFGMQESQH-ZWKOTPCHSA-N 1 3 309.542 3.209 10 0 DGAEHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000193139215 296285004 /nfs/dbraw/zinc/28/50/04/296285004.db2.gz DJJQWAJQWXXPDE-MSOLQXFVSA-N 1 3 321.553 3.351 10 0 DGAEHO Cc1nc2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261819338 285193484 /nfs/dbraw/zinc/19/34/84/285193484.db2.gz IGAGUFPDNWEVQC-SOUVJXGZSA-N 1 3 301.459 3.164 10 0 DGAEHO Cc1nc2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261819332 285193490 /nfs/dbraw/zinc/19/34/90/285193490.db2.gz IGAGUFPDNWEVQC-RRFJBIMHSA-N 1 3 301.459 3.164 10 0 DGAEHO COc1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000358775802 286150989 /nfs/dbraw/zinc/15/09/89/286150989.db2.gz PMVNXAKDWAKFLP-UHFFFAOYSA-N 1 3 317.477 3.019 10 0 DGAEHO COc1cccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000358775802 286150990 /nfs/dbraw/zinc/15/09/90/286150990.db2.gz PMVNXAKDWAKFLP-UHFFFAOYSA-N 1 3 317.477 3.019 10 0 DGAEHO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000191091941 165230626 /nfs/dbraw/zinc/23/06/26/165230626.db2.gz BMNHCRNGTATUNU-KVSKMBFKSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@H](O)CC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191091941 165230634 /nfs/dbraw/zinc/23/06/34/165230634.db2.gz BMNHCRNGTATUNU-KVSKMBFKSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@H](NC[C@H](O)CC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191091941 165230637 /nfs/dbraw/zinc/23/06/37/165230637.db2.gz BMNHCRNGTATUNU-KVSKMBFKSA-N 1 3 308.510 3.170 10 0 DGAEHO C[C@@H]1CC[C@H](C)N(CC2(C[N@@H+]3C[C@@H](C)CC[C@H]3C)COC2)C1 ZINC000182205074 432166945 /nfs/dbraw/zinc/16/69/45/432166945.db2.gz MBJOXRCLNJZDCV-FZDBZEDMSA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)N(CC2(C[N@H+]3C[C@@H](C)CC[C@H]3C)COC2)C1 ZINC000182205074 432166949 /nfs/dbraw/zinc/16/69/49/432166949.db2.gz MBJOXRCLNJZDCV-FZDBZEDMSA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)[N@H+](CC2(CN3C[C@@H](C)CC[C@H]3C)COC2)C1 ZINC000182205074 432166952 /nfs/dbraw/zinc/16/69/52/432166952.db2.gz MBJOXRCLNJZDCV-FZDBZEDMSA-N 1 3 308.510 3.244 10 0 DGAEHO C[C@@H]1CC[C@H](C)[N@@H+](CC2(CN3C[C@@H](C)CC[C@H]3C)COC2)C1 ZINC000182205074 432166956 /nfs/dbraw/zinc/16/69/56/432166956.db2.gz MBJOXRCLNJZDCV-FZDBZEDMSA-N 1 3 308.510 3.244 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000246991697 432187973 /nfs/dbraw/zinc/18/79/73/432187973.db2.gz KFFAMFTZHVYXPA-SJLPKXTDSA-N 1 3 304.478 3.194 10 0 DGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H]1CCCO1 ZINC000248416527 432289376 /nfs/dbraw/zinc/28/93/76/432289376.db2.gz PSSAQIHKJIJKSL-FKICDVMDSA-N 1 3 314.473 3.054 10 0 DGAEHO NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1c1ccccc1 ZINC000261804571 432453195 /nfs/dbraw/zinc/45/31/95/432453195.db2.gz REARQBPWXOGKFN-RTWAWAEBSA-N 1 3 306.453 3.350 10 0 DGAEHO NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1c1ccccc1 ZINC000261804571 432453197 /nfs/dbraw/zinc/45/31/97/432453197.db2.gz REARQBPWXOGKFN-RTWAWAEBSA-N 1 3 306.453 3.350 10 0 DGAEHO CN1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000161922546 432804500 /nfs/dbraw/zinc/80/45/00/432804500.db2.gz ZSLGYGOVXPKBMM-MRXNPFEDSA-N 1 3 306.425 3.153 10 0 DGAEHO O[C@@H](C[C@@H]1CCC[N@@H+]1CCCN1CCCC1)c1cccs1 ZINC000163230582 432846660 /nfs/dbraw/zinc/84/66/60/432846660.db2.gz PRDWFIOOGYPJRX-HOTGVXAUSA-N 1 3 308.491 3.122 10 0 DGAEHO O[C@@H](C[C@@H]1CCC[N@H+]1CCCN1CCCC1)c1cccs1 ZINC000163230582 432846664 /nfs/dbraw/zinc/84/66/64/432846664.db2.gz PRDWFIOOGYPJRX-HOTGVXAUSA-N 1 3 308.491 3.122 10 0 DGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000245620171 432850132 /nfs/dbraw/zinc/85/01/32/432850132.db2.gz WKDWDGNNNDPVNN-ZSGPHXLJSA-N 1 3 321.896 3.158 10 0 DGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000245620171 432850135 /nfs/dbraw/zinc/85/01/35/432850135.db2.gz WKDWDGNNNDPVNN-ZSGPHXLJSA-N 1 3 321.896 3.158 10 0 DGAEHO Cc1cc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)on1 ZINC000376068052 433656962 /nfs/dbraw/zinc/65/69/62/433656962.db2.gz OEGRVAJTFVUQLM-WMZOPIPTSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000376068052 433656970 /nfs/dbraw/zinc/65/69/70/433656970.db2.gz OEGRVAJTFVUQLM-WMZOPIPTSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000376068052 433656976 /nfs/dbraw/zinc/65/69/76/433656976.db2.gz OEGRVAJTFVUQLM-WMZOPIPTSA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1ccncc1C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374280077 293377004 /nfs/dbraw/zinc/37/70/04/293377004.db2.gz YJSRJQJBVSDYHK-FQEVSTJZSA-N 1 3 309.457 3.392 10 0 DGAEHO c1ccc2c(c1)[nH]c1c2C[C@@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000377396991 433870945 /nfs/dbraw/zinc/87/09/45/433870945.db2.gz FDKGXDNPFQMHGU-HWOWSKLDSA-N 1 3 309.457 3.242 10 0 DGAEHO CC(C)C[C@H](C)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397665235 293847858 /nfs/dbraw/zinc/84/78/58/293847858.db2.gz FQEKWALPCKZYPX-SFHVURJKSA-N 1 3 318.505 3.285 10 0 DGAEHO c1ccc(COCCCN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000309976906 434100985 /nfs/dbraw/zinc/10/09/85/434100985.db2.gz RRVRNLWASKNQGQ-MOPGFXCFSA-N 1 3 302.462 3.057 10 0 DGAEHO CCC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)OC ZINC000386509050 434315223 /nfs/dbraw/zinc/31/52/23/434315223.db2.gz WWVJKZVIXQRHEP-ZGXWSNOMSA-N 1 3 316.489 3.302 10 0 DGAEHO CCC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000386509050 434315229 /nfs/dbraw/zinc/31/52/29/434315229.db2.gz WWVJKZVIXQRHEP-ZGXWSNOMSA-N 1 3 316.489 3.302 10 0 DGAEHO CCC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000386509050 434315234 /nfs/dbraw/zinc/31/52/34/434315234.db2.gz WWVJKZVIXQRHEP-ZGXWSNOMSA-N 1 3 316.489 3.302 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000360433900 434605693 /nfs/dbraw/zinc/60/56/93/434605693.db2.gz PQJVQSLXBCCMRE-ZIAGYGMSSA-N 1 3 308.491 3.410 10 0 DGAEHO CCN(CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360928777 434734622 /nfs/dbraw/zinc/73/46/22/434734622.db2.gz CBPVZUCBRQMHGT-UYAOXDASSA-N 1 3 317.521 3.217 10 0 DGAEHO CCCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000482954528 435487694 /nfs/dbraw/zinc/48/76/94/435487694.db2.gz DPWKBNAEOIJWMI-QUCCMNQESA-N 1 3 317.521 3.219 10 0 DGAEHO CCCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000482954526 435488321 /nfs/dbraw/zinc/48/83/21/435488321.db2.gz DPWKBNAEOIJWMI-AZUAARDMSA-N 1 3 317.521 3.219 10 0 DGAEHO c1ccc([C@H](NC2CC[NH+](CC3CC3)CC2)[C@@H]2CCOC2)cc1 ZINC000540410903 435600142 /nfs/dbraw/zinc/60/01/42/435600142.db2.gz FAUWREJEGSIWKN-QUCCMNQESA-N 1 3 314.473 3.228 10 0 DGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CO1 ZINC000657433728 436201108 /nfs/dbraw/zinc/20/11/08/436201108.db2.gz ZZGXJUYUPUODHP-UHZRXMQZSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657433728 436201114 /nfs/dbraw/zinc/20/11/14/436201114.db2.gz ZZGXJUYUPUODHP-UHZRXMQZSA-N 1 3 314.473 3.054 10 0 DGAEHO CC[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657433728 436201117 /nfs/dbraw/zinc/20/11/17/436201117.db2.gz ZZGXJUYUPUODHP-UHZRXMQZSA-N 1 3 314.473 3.054 10 0 DGAEHO C([C@H]1CCC2(CCCC2)O1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000530525219 313380458 /nfs/dbraw/zinc/38/04/58/313380458.db2.gz ZTPPSKIKASPLCY-GOSISDBHSA-N 1 3 306.494 3.286 10 0 DGAEHO CC1=CCN(CCNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000545864719 314271361 /nfs/dbraw/zinc/27/13/61/314271361.db2.gz JBDIOILRHBVILK-AZUAARDMSA-N 1 3 319.537 3.271 10 0 DGAEHO CC1=CCN(CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000545864721 314271462 /nfs/dbraw/zinc/27/14/62/314271462.db2.gz JBDIOILRHBVILK-QUCCMNQESA-N 1 3 319.537 3.271 10 0 DGAEHO CC[C@H]1CCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397512990 323681762 /nfs/dbraw/zinc/68/17/62/323681762.db2.gz QCHFMTFJLFVWFQ-RBUKOAKNSA-N 1 3 316.489 3.182 10 0 DGAEHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000336716397 546517236 /nfs/dbraw/zinc/51/72/36/546517236.db2.gz PFHFPKBYVDPLII-RBUKOAKNSA-N 1 3 302.462 3.057 10 0 DGAEHO c1ccc(C[N@H+]2CCCC[C@@H](CN[C@@H]3CCCOC3)C2)cc1 ZINC000336716397 546517239 /nfs/dbraw/zinc/51/72/39/546517239.db2.gz PFHFPKBYVDPLII-RBUKOAKNSA-N 1 3 302.462 3.057 10 0 DGAEHO c1ccc(C[N@@H+]2CCCC[C@@H](CN[C@@H]3CCCOC3)C2)cc1 ZINC000336716397 546517242 /nfs/dbraw/zinc/51/72/42/546517242.db2.gz PFHFPKBYVDPLII-RBUKOAKNSA-N 1 3 302.462 3.057 10 0 DGAEHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2(O)CCCCC2)C1 ZINC000113997887 620970562 /nfs/dbraw/zinc/97/05/62/620970562.db2.gz CKSJZVRHJCNTGJ-ZWKOTPCHSA-N 1 3 308.510 3.268 10 0 DGAEHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2(O)CCCCC2)C1 ZINC000113997887 620970564 /nfs/dbraw/zinc/97/05/64/620970564.db2.gz CKSJZVRHJCNTGJ-ZWKOTPCHSA-N 1 3 308.510 3.268 10 0 DGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713115674 661190296 /nfs/dbraw/zinc/19/02/96/661190296.db2.gz IIKMYACQCIVKMP-JQWIXIFHSA-N 1 3 317.296 3.160 10 0 DGAEHO CCC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619605 661224906 /nfs/dbraw/zinc/22/49/06/661224906.db2.gz FXAUQQXZQCIIEO-LWYYNNOASA-N 1 3 316.489 3.180 10 0 DGAEHO CC(C)OCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716673807 661226587 /nfs/dbraw/zinc/22/65/87/661226587.db2.gz QIFQOSPMJXDFLU-FHWLQOOXSA-N 1 3 302.462 3.054 10 0 DGAEHO CC(C)OCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716673807 661226591 /nfs/dbraw/zinc/22/65/91/661226591.db2.gz QIFQOSPMJXDFLU-FHWLQOOXSA-N 1 3 302.462 3.054 10 0 DGAEHO CC(C)OCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716673807 661226593 /nfs/dbraw/zinc/22/65/93/661226593.db2.gz QIFQOSPMJXDFLU-FHWLQOOXSA-N 1 3 302.462 3.054 10 0 DGAEHO CCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674251 661226754 /nfs/dbraw/zinc/22/67/54/661226754.db2.gz WQTXINJDXVBMML-OTWHNJEPSA-N 1 3 302.462 3.056 10 0 DGAEHO C[C@H](CCCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716695885 661227511 /nfs/dbraw/zinc/22/75/11/661227511.db2.gz ZITNLFSUUHLJDZ-GTAWCEEGSA-N 1 3 316.489 3.038 10 0 DGAEHO C[C@@H](CCCCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681551 661227523 /nfs/dbraw/zinc/22/75/23/661227523.db2.gz LNPURGNLYZXAMO-LEAZDLGRSA-N 1 3 316.489 3.180 10 0 DGAEHO FC(F)OCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685867 661227529 /nfs/dbraw/zinc/22/75/29/661227529.db2.gz XPIFWNFKUCLNRF-BBWFWOEESA-N 1 3 324.415 3.258 10 0 DGAEHO CCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)COC1 ZINC000716732185 661228244 /nfs/dbraw/zinc/22/82/44/661228244.db2.gz NWJCJXDRPIKMAA-OTWHNJEPSA-N 1 3 314.473 3.056 10 0 DGAEHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000191519387 662070511 /nfs/dbraw/zinc/07/05/11/662070511.db2.gz KKHFECIJHMYULH-MOPGFXCFSA-N 1 3 304.478 3.306 10 0 DGAEHO CCN(CC)CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000191519387 662070514 /nfs/dbraw/zinc/07/05/14/662070514.db2.gz KKHFECIJHMYULH-MOPGFXCFSA-N 1 3 304.478 3.306 10 0 DGAEHO Cc1ncsc1C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000080234673 1197050608 /nfs/dbraw/zinc/05/06/08/1197050608.db2.gz INBGGHQLKWFYFB-CQSZACIVSA-N 1 3 303.475 3.452 10 0 DGAEHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000192752355 1201258129 /nfs/dbraw/zinc/25/81/29/1201258129.db2.gz FPXFQPATYONDDS-KRWDZBQOSA-N 1 3 323.550 3.027 10 0 DGAEHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000192752355 1201258135 /nfs/dbraw/zinc/25/81/35/1201258135.db2.gz FPXFQPATYONDDS-KRWDZBQOSA-N 1 3 323.550 3.027 10 0 DGAEHO C[C@]1(CN[C@@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000401661431 1093963442 /nfs/dbraw/zinc/96/34/42/1093963442.db2.gz VDUDAYBHIFDMBW-UYAOXDASSA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@]1(CN[C@@H]2CCCc3n[nH]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000401661431 1093963444 /nfs/dbraw/zinc/96/34/44/1093963444.db2.gz VDUDAYBHIFDMBW-UYAOXDASSA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCN(Cc2ccccc2)C1 ZINC000401661431 1093963447 /nfs/dbraw/zinc/96/34/47/1093963447.db2.gz VDUDAYBHIFDMBW-UYAOXDASSA-N 1 3 324.472 3.289 10 0 DGAEHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405234012 1094311670 /nfs/dbraw/zinc/31/16/70/1094311670.db2.gz CMOGPNKZWIKRPE-DFBGVHRSSA-N 1 3 323.278 3.240 10 0 DGAEHO c1cc(CCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033396 237022585 /nfs/dbraw/zinc/02/25/85/237022585.db2.gz BRYJPBIDJOPVCN-OALUTQOASA-N 1 3 314.473 3.018 10 0 DGAEHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493923366 246097190 /nfs/dbraw/zinc/09/71/90/246097190.db2.gz BCFBYJLGOPBHSO-RRENTHDGSA-N 1 3 302.462 3.197 10 0 DGAEHO C[NH+](C)[C@H]1CCC[C@@H](NC2CC(OCc3ccccc3)C2)C1 ZINC000493923366 246097195 /nfs/dbraw/zinc/09/71/95/246097195.db2.gz BCFBYJLGOPBHSO-RRENTHDGSA-N 1 3 302.462 3.197 10 0 DGAEHO C[C@@H](c1ccccc1Cl)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178978836 296238720 /nfs/dbraw/zinc/23/87/20/296238720.db2.gz BCVXSLJNLLMUOO-HNNXBMFYSA-N 1 3 321.896 3.018 10 0 DGAEHO CC[NH+](CC)CCCn1c(CNC)nc2ccc(Cl)cc21 ZINC000040403914 183061490 /nfs/dbraw/zinc/06/14/90/183061490.db2.gz BBQOZCHZPGEOSD-UHFFFAOYSA-N 1 3 308.857 3.141 10 0 DGAEHO CN(Cc1csc(Br)c1)CC1CCC([NH3+])CC1 ZINC000042366035 183259829 /nfs/dbraw/zinc/25/98/29/183259829.db2.gz KDOXXDBJHQTGKU-UHFFFAOYSA-N 1 3 317.296 3.460 10 0 DGAEHO CC1(C)Cc2cccc(CN3CCC4(CC[NH2+]CC4)CC3)c2O1 ZINC000167894848 400757117 /nfs/dbraw/zinc/75/71/17/400757117.db2.gz ILNWHMFUVQTDHB-UHFFFAOYSA-N 1 3 314.473 3.366 10 0 DGAEHO CC[N@@H+]1CC[C@H](CN[C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284085 286275423 /nfs/dbraw/zinc/27/54/23/286275423.db2.gz YWTDOGVECTZGHF-DYVFJYSZSA-N 1 3 317.433 3.162 10 0 DGAEHO CC[N@H+]1CC[C@H](CN[C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284085 286275424 /nfs/dbraw/zinc/27/54/24/286275424.db2.gz YWTDOGVECTZGHF-DYVFJYSZSA-N 1 3 317.433 3.162 10 0 DGAEHO CCN1CC[C@H](C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284085 286275425 /nfs/dbraw/zinc/27/54/25/286275425.db2.gz YWTDOGVECTZGHF-DYVFJYSZSA-N 1 3 317.433 3.162 10 0 DGAEHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000093147516 431913735 /nfs/dbraw/zinc/91/37/35/431913735.db2.gz PURKIRZPGNDJKI-IBGZPJMESA-N 1 3 321.553 3.305 10 0 DGAEHO C[N@H+]1CCCC[C@H]1CN1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000093147516 431913736 /nfs/dbraw/zinc/91/37/36/431913736.db2.gz PURKIRZPGNDJKI-IBGZPJMESA-N 1 3 321.553 3.305 10 0 DGAEHO Fc1ccc(OCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047972724 431917914 /nfs/dbraw/zinc/91/79/14/431917914.db2.gz DFCOCMWEZGRKTL-UHFFFAOYSA-N 1 3 306.425 3.012 10 0 DGAEHO C[NH+](C)CCCN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000091262470 431903902 /nfs/dbraw/zinc/90/39/02/431903902.db2.gz IXJWAKQPVSRTFD-OAHLLOKOSA-N 1 3 311.267 3.442 10 0 DGAEHO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CCN1C ZINC000249778985 432358322 /nfs/dbraw/zinc/35/83/22/432358322.db2.gz CRIIPUGUZWVNBL-YZGWKJHDSA-N 1 3 315.505 3.113 10 0 DGAEHO CC(C)CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261937031 432461139 /nfs/dbraw/zinc/46/11/39/432461139.db2.gz MGSBXBHOGLBZRZ-FUHWJXTLSA-N 1 3 301.478 3.417 10 0 DGAEHO CC(C)C[N@H+](C[C@H]1CCCNC1)[C@@H]1CCCc2cccnc21 ZINC000261937031 432461141 /nfs/dbraw/zinc/46/11/41/432461141.db2.gz MGSBXBHOGLBZRZ-FUHWJXTLSA-N 1 3 301.478 3.417 10 0 DGAEHO CC(C)C[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCCc2cccnc21 ZINC000261937031 432461143 /nfs/dbraw/zinc/46/11/43/432461143.db2.gz MGSBXBHOGLBZRZ-FUHWJXTLSA-N 1 3 301.478 3.417 10 0 DGAEHO c1cn(-c2csc(C[NH2+]CCc3ccc4cn[nH]c4c3)c2)cn1 ZINC000341406288 433049318 /nfs/dbraw/zinc/04/93/18/433049318.db2.gz NZJXUHFGJNBZTQ-UHFFFAOYSA-N 1 3 323.425 3.142 10 0 DGAEHO CO[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000373054519 433079777 /nfs/dbraw/zinc/07/97/77/433079777.db2.gz HPBMZYXTFYRAAQ-YRPNKDGESA-N 1 3 316.489 3.443 10 0 DGAEHO CO[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000373054519 433079787 /nfs/dbraw/zinc/07/97/87/433079787.db2.gz HPBMZYXTFYRAAQ-YRPNKDGESA-N 1 3 316.489 3.443 10 0 DGAEHO Cc1cc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000376058396 433655950 /nfs/dbraw/zinc/65/59/50/433655950.db2.gz PPZNUXSRBJYHRB-KXBFYZLASA-N 1 3 313.445 3.026 10 0 DGAEHO Cc1cc(CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000376058396 433655963 /nfs/dbraw/zinc/65/59/63/433655963.db2.gz PPZNUXSRBJYHRB-KXBFYZLASA-N 1 3 313.445 3.026 10 0 DGAEHO C[C@@H](NCCc1cccc(OCc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400511116 293864940 /nfs/dbraw/zinc/86/49/40/293864940.db2.gz JHIJDKBZDJUPGO-YLJYHZDGSA-N 1 3 324.468 3.396 10 0 DGAEHO c1ccc2nc(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422777299 433993448 /nfs/dbraw/zinc/99/34/48/433993448.db2.gz FHXRJSFLGGFHKA-MISYRCLQSA-N 1 3 309.457 3.288 10 0 DGAEHO c1ccc2nc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422777291 433995674 /nfs/dbraw/zinc/99/56/74/433995674.db2.gz FHXRJSFLGGFHKA-DFQSSKMNSA-N 1 3 309.457 3.288 10 0 DGAEHO c1ccc(COCCCN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000309976912 434102054 /nfs/dbraw/zinc/10/20/54/434102054.db2.gz RRVRNLWASKNQGQ-RTBURBONSA-N 1 3 302.462 3.057 10 0 DGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379653433 434261360 /nfs/dbraw/zinc/26/13/60/434261360.db2.gz ZPQVNEMKINFZRY-UFYCRDLUSA-N 1 3 315.505 3.148 10 0 DGAEHO COC[C@H](C)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000390769541 434367689 /nfs/dbraw/zinc/36/76/89/434367689.db2.gz KGQSMCKPVYOEEH-MJGOQNOKSA-N 1 3 304.478 3.161 10 0 DGAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000397581825 434441968 /nfs/dbraw/zinc/44/19/68/434441968.db2.gz GNWIMEAWUDMCEY-IBGZPJMESA-N 1 3 316.489 3.182 10 0 DGAEHO c1ccc([C@@H](NC2CC[NH+](CC3CC3)CC2)[C@@H]2CCOC2)cc1 ZINC000540410904 435599123 /nfs/dbraw/zinc/59/91/23/435599123.db2.gz FAUWREJEGSIWKN-UYAOXDASSA-N 1 3 314.473 3.228 10 0 DGAEHO Cn1cccc1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272618543 546357278 /nfs/dbraw/zinc/35/72/78/546357278.db2.gz XQIBWNOYTLKVRN-YSIASYRMSA-N 1 3 309.457 3.025 10 0 DGAEHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000131376597 626632134 /nfs/dbraw/zinc/63/21/34/626632134.db2.gz VYUUKPDBMGLMKD-ZWKOTPCHSA-N 1 3 304.503 3.036 10 0 DGAEHO C[NH+](C)C1(C)CCC(NCc2occc2Br)CC1 ZINC000715527129 661212334 /nfs/dbraw/zinc/21/23/34/661212334.db2.gz JRHBSMZQHUGQJG-UHFFFAOYSA-N 1 3 315.255 3.395 10 0 DGAEHO CCC[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619606 661224996 /nfs/dbraw/zinc/22/49/96/661224996.db2.gz FXAUQQXZQCIIEO-MUGJNUQGSA-N 1 3 316.489 3.180 10 0 DGAEHO CC[C@H](COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674219 661226429 /nfs/dbraw/zinc/22/64/29/661226429.db2.gz VVUQRZOZJNCFHG-MANSERQUSA-N 1 3 302.462 3.054 10 0 DGAEHO COCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716674518 661226506 /nfs/dbraw/zinc/22/65/06/661226506.db2.gz XYAIMMDAIQXDHO-OTWHNJEPSA-N 1 3 302.462 3.056 10 0 DGAEHO CCOCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716703090 661227725 /nfs/dbraw/zinc/22/77/25/661227725.db2.gz XMKIOTKYOLHAMV-UFYCRDLUSA-N 1 3 316.489 3.446 10 0 DGAEHO CCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)COC1 ZINC000716732184 661227969 /nfs/dbraw/zinc/22/79/69/661227969.db2.gz NWJCJXDRPIKMAA-FHWLQOOXSA-N 1 3 314.473 3.056 10 0 DGAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000716726627 661228087 /nfs/dbraw/zinc/22/80/87/661228087.db2.gz DUMGULSFFDVYID-HTDHLNIYSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000716726629 661228190 /nfs/dbraw/zinc/22/81/90/661228190.db2.gz DUMGULSFFDVYID-XZEJUNMKSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCO1 ZINC000716731348 661228196 /nfs/dbraw/zinc/22/81/96/661228196.db2.gz CVERRNVYMWJFNT-ZGXWSNOMSA-N 1 3 314.473 3.198 10 0 DGAEHO CC1(C)OCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716730470 661228208 /nfs/dbraw/zinc/22/82/08/661228208.db2.gz WYZPWWIRBSIEAQ-VJANTYMQSA-N 1 3 314.473 3.197 10 0 DGAEHO C[C@@H]1CN(Cc2ccc(F)cc2Br)C[C@H]1CC[NH3+] ZINC000723890442 656503742 /nfs/dbraw/zinc/50/37/42/656503742.db2.gz FCMFDNZTVKWTFY-GHMZBOCLSA-N 1 3 315.230 3.005 10 0 DGAEHO COCCN1CCC[C@]2(CC[N@H+](C/C(C)=C\c3ccco3)C2)C1 ZINC000096856796 657559261 /nfs/dbraw/zinc/55/92/61/657559261.db2.gz WQNJPFGVFFUXFW-LYDJUCFBSA-N 1 3 318.461 3.117 10 0 DGAEHO COCCN1CCC[C@]2(CC[N@@H+](C/C(C)=C\c3ccco3)C2)C1 ZINC000096856796 657559267 /nfs/dbraw/zinc/55/92/67/657559267.db2.gz WQNJPFGVFFUXFW-LYDJUCFBSA-N 1 3 318.461 3.117 10 0 DGAEHO C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353684454 660026965 /nfs/dbraw/zinc/02/69/65/660026965.db2.gz SIUDXZMRTSPRKA-VDZJLULYSA-N 1 3 324.472 3.287 10 0 DGAEHO COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000720148547 662303116 /nfs/dbraw/zinc/30/31/16/662303116.db2.gz KXDJYOMFZCXSQV-WNHJNPCNSA-N 1 3 316.489 3.443 10 0 DGAEHO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000187363750 685114078 /nfs/dbraw/zinc/11/40/78/685114078.db2.gz NMWMEXQCMLHMHH-AAEUAGOBSA-N 1 3 311.813 3.163 10 0 DGAEHO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000187363750 685114081 /nfs/dbraw/zinc/11/40/81/685114081.db2.gz NMWMEXQCMLHMHH-AAEUAGOBSA-N 1 3 311.813 3.163 10 0 DGAEHO c1[nH]nc2cc(CNC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000236741074 1202622623 /nfs/dbraw/zinc/62/26/23/1202622623.db2.gz KRWLYCTVUMBVQR-UHFFFAOYSA-N 1 3 320.440 3.317 10 0 DGAEHO