smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC2(CN(Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC001138220862 1091119631 /nfs/dbraw/zinc/11/96/31/1091119631.db2.gz QOUKUCPBZMEVLL-UHFFFAOYSA-N 1 3 313.489 3.205 20 10 DGCDHO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139255251 1091502367 /nfs/dbraw/zinc/50/23/67/1091502367.db2.gz OMRLRZZXBLQKBE-LSDHHAIUSA-N 1 3 320.477 3.330 20 10 DGCDHO COc1cc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139255251 1091502378 /nfs/dbraw/zinc/50/23/78/1091502378.db2.gz OMRLRZZXBLQKBE-LSDHHAIUSA-N 1 3 320.477 3.330 20 10 DGCDHO COc1cc(CN2CCC3(CCC3)CC2)cc(C[NH+](C)C)c1O ZINC001139254295 1091502583 /nfs/dbraw/zinc/50/25/83/1091502583.db2.gz FVVVVIHWRWOSLD-UHFFFAOYSA-N 1 3 318.461 3.229 20 10 DGCDHO COc1cc(CN2CCCC3(CCC3)C2)cc(C[NH+](C)C)c1O ZINC001139260969 1091503910 /nfs/dbraw/zinc/50/39/10/1091503910.db2.gz QSYOTZBVRUWHTR-UHFFFAOYSA-N 1 3 318.461 3.229 20 10 DGCDHO CN(C)c1ccc(CN2CCC3(CCC[NH2+]C3)CC2)c(Cl)c1 ZINC001222457908 1095623050 /nfs/dbraw/zinc/62/30/50/1095623050.db2.gz XZIPNMDZZBVIAL-UHFFFAOYSA-N 1 3 321.896 3.372 20 10 DGCDHO CC(C)(C)c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001234999620 1098743884 /nfs/dbraw/zinc/74/38/84/1098743884.db2.gz NEEUDKOFLKUODX-LJQANCHMSA-N 1 3 302.462 3.265 20 10 DGCDHO Cc1c(CN2CCC3(CC[NH2+]CC3)CC2)c2ccccc2n1C ZINC001235135991 1098830417 /nfs/dbraw/zinc/83/04/17/1098830417.db2.gz SJDWYUXTCXHCLC-UHFFFAOYSA-N 1 3 311.473 3.452 20 10 DGCDHO C[NH2+]CC1CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001235680023 1099123658 /nfs/dbraw/zinc/12/36/58/1099123658.db2.gz QHWVBISTUHNJIH-UHFFFAOYSA-N 1 3 316.445 3.008 20 10 DGCDHO CN(C)c1ccc(CN(C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001236189790 1099456938 /nfs/dbraw/zinc/45/69/38/1099456938.db2.gz NRWBIRYIBISVQI-UHFFFAOYSA-N 1 3 315.486 3.092 20 10 DGCDHO Cc1cccc([O-])c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374633 1099561171 /nfs/dbraw/zinc/56/11/71/1099561171.db2.gz FOQJIKOFTJAARO-INIZCTEOSA-N 1 3 302.462 3.445 20 10 DGCDHO Cc1cccc([O-])c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374633 1099561186 /nfs/dbraw/zinc/56/11/86/1099561186.db2.gz FOQJIKOFTJAARO-INIZCTEOSA-N 1 3 302.462 3.445 20 10 DGCDHO CCN(CC)c1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001203943389 1102237128 /nfs/dbraw/zinc/23/71/28/1102237128.db2.gz YWTDOYHCTHHDQF-UHFFFAOYSA-N 1 3 301.478 3.060 20 10 DGCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246529358 1104579185 /nfs/dbraw/zinc/57/91/85/1104579185.db2.gz GXGKQTUPBQBBHR-QWQRMKEZSA-N 1 3 302.462 3.363 20 10 DGCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCNC2(CCC2)C1 ZINC001246924888 1104739735 /nfs/dbraw/zinc/73/97/35/1104739735.db2.gz NKLDCNRBXSHGLR-GOSISDBHSA-N 1 3 301.478 3.249 20 10 DGCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCNC2(CCC2)C1 ZINC001246924888 1104739738 /nfs/dbraw/zinc/73/97/38/1104739738.db2.gz NKLDCNRBXSHGLR-GOSISDBHSA-N 1 3 301.478 3.249 20 10 DGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246924888 1104739741 /nfs/dbraw/zinc/73/97/41/1104739741.db2.gz NKLDCNRBXSHGLR-GOSISDBHSA-N 1 3 301.478 3.249 20 10 DGCDHO Cc1cc([O-])c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000270050774 432227543 /nfs/dbraw/zinc/22/75/43/432227543.db2.gz MEGZOLPRRHYGGH-KRWDZBQOSA-N 1 3 302.462 3.173 20 10 DGCDHO Cc1cc([O-])c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000270050774 432227549 /nfs/dbraw/zinc/22/75/49/432227549.db2.gz MEGZOLPRRHYGGH-KRWDZBQOSA-N 1 3 302.462 3.173 20 10 DGCDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000177974477 228336335 /nfs/dbraw/zinc/33/63/35/228336335.db2.gz JPAVXLSUMFIYAD-GPMSIDNRSA-N 1 3 301.478 3.105 20 10 DGCDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000177974477 228336337 /nfs/dbraw/zinc/33/63/37/228336337.db2.gz JPAVXLSUMFIYAD-GPMSIDNRSA-N 1 3 301.478 3.105 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423085842 280269673 /nfs/dbraw/zinc/26/96/73/280269673.db2.gz LOUACBYTVMNRKL-RCCFBDPRSA-N 1 3 311.473 3.497 20 10 DGCDHO CCOc1ccc([O-])c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000375997977 433637009 /nfs/dbraw/zinc/63/70/09/433637009.db2.gz DMXRXFHDQYWTMY-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO CCOc1ccc([O-])c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000375997977 433637016 /nfs/dbraw/zinc/63/70/16/433637016.db2.gz DMXRXFHDQYWTMY-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO CCOc1ccc([O-])c(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293069493 433615756 /nfs/dbraw/zinc/61/57/56/433615756.db2.gz SSXHMNJVLQOKNN-UHFFFAOYSA-N 1 3 306.450 3.147 20 10 DGCDHO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](N)c4ccccc43)C2)cc1 ZINC000854217188 620784956 /nfs/dbraw/zinc/78/49/56/620784956.db2.gz KKDCPIPQSGMKDN-PNHOKKKMSA-N 1 3 323.440 3.008 20 10 DGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])c1[O-] ZINC000817977872 620897486 /nfs/dbraw/zinc/89/74/86/620897486.db2.gz QWDZLAWUDXIJAQ-QWRGUYRKSA-N 1 3 315.255 3.241 20 10 DGCDHO C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756546843 621646625 /nfs/dbraw/zinc/64/66/25/621646625.db2.gz SHIRRNZRLKLTCP-SWLSCSKDSA-N 1 3 306.425 3.401 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)c([O-])c1 ZINC000768301809 622449407 /nfs/dbraw/zinc/44/94/07/622449407.db2.gz BOIKIZLZIMVJQT-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO CCCN1CCC([N@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123820133 622714883 /nfs/dbraw/zinc/71/48/83/622714883.db2.gz YGUKFMMUXZAAFP-UHFFFAOYSA-N 1 3 307.457 3.198 20 10 DGCDHO CCCN1CCC([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123820133 622714887 /nfs/dbraw/zinc/71/48/87/622714887.db2.gz YGUKFMMUXZAAFP-UHFFFAOYSA-N 1 3 307.457 3.198 20 10 DGCDHO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCN3C)C2)cc1C(C)C ZINC000872725336 622960903 /nfs/dbraw/zinc/96/09/03/622960903.db2.gz RSLOWICQZYQYLT-QAPCUYQASA-N 1 3 302.462 3.350 20 10 DGCDHO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCN3C)C2)cc1C(C)C ZINC000872725336 622960906 /nfs/dbraw/zinc/96/09/06/622960906.db2.gz RSLOWICQZYQYLT-QAPCUYQASA-N 1 3 302.462 3.350 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000773757072 623068460 /nfs/dbraw/zinc/06/84/60/623068460.db2.gz YIFRJURBCFGZNN-QFBILLFUSA-N 1 3 303.494 3.447 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000773757072 623068465 /nfs/dbraw/zinc/06/84/65/623068465.db2.gz YIFRJURBCFGZNN-QFBILLFUSA-N 1 3 303.494 3.447 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000796694288 626073905 /nfs/dbraw/zinc/07/39/05/626073905.db2.gz KZNPKPNRUFKILB-VAMGGRTRSA-N 1 3 315.505 3.495 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000796694288 626073907 /nfs/dbraw/zinc/07/39/07/626073907.db2.gz KZNPKPNRUFKILB-VAMGGRTRSA-N 1 3 315.505 3.495 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000796694287 626073936 /nfs/dbraw/zinc/07/39/36/626073936.db2.gz KZNPKPNRUFKILB-AQNXPRMDSA-N 1 3 315.505 3.495 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000796694287 626073939 /nfs/dbraw/zinc/07/39/39/626073939.db2.gz KZNPKPNRUFKILB-AQNXPRMDSA-N 1 3 315.505 3.495 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)ccc21 ZINC000796726879 626076570 /nfs/dbraw/zinc/07/65/70/626076570.db2.gz GIUFSKXTQIACGC-GGPKGHCWSA-N 1 3 313.489 3.031 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)ccc21 ZINC000796726879 626076574 /nfs/dbraw/zinc/07/65/74/626076574.db2.gz GIUFSKXTQIACGC-GGPKGHCWSA-N 1 3 313.489 3.031 20 10 DGCDHO CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1[O-] ZINC000810252339 626992784 /nfs/dbraw/zinc/99/27/84/626992784.db2.gz BXLOXUFBBHEHPQ-OAHLLOKOSA-N 1 3 308.491 3.260 20 10 DGCDHO C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000925886988 627812374 /nfs/dbraw/zinc/81/23/74/627812374.db2.gz PAKCTARGHJVIJM-IYJAJMOOSA-N 1 3 314.404 3.241 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817894296 627954578 /nfs/dbraw/zinc/95/45/78/627954578.db2.gz LEIRYSHWIKUNEA-GUDVDZBRSA-N 1 3 301.478 3.071 20 10 DGCDHO CC1CCN(c2ccc(CN[C@@H]3CC[NH2+]CC[C@H]3C)cc2)CC1 ZINC000817902385 627957371 /nfs/dbraw/zinc/95/73/71/627957371.db2.gz PAXUKAJZPJKRNC-YLJYHZDGSA-N 1 3 315.505 3.401 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2c1c(F)ccc2[O-] ZINC000817950252 627972524 /nfs/dbraw/zinc/97/25/24/627972524.db2.gz XDFSHVSVVMAAMJ-MLGOLLRUSA-N 1 3 314.404 3.371 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2c1c(F)ccc2[O-] ZINC000817968543 627979042 /nfs/dbraw/zinc/97/90/42/627979042.db2.gz LIKUULRVQGKKFO-BDJLRTHQSA-N 1 3 312.388 3.473 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2c1c(F)ccc2[O-] ZINC000840811204 630361272 /nfs/dbraw/zinc/36/12/72/630361272.db2.gz ZOPXSFSWUFGXLH-IPYPFGDCSA-N 1 3 306.425 3.401 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2[O-] ZINC000840811204 630361275 /nfs/dbraw/zinc/36/12/75/630361275.db2.gz ZOPXSFSWUFGXLH-IPYPFGDCSA-N 1 3 306.425 3.401 20 10 DGCDHO CCOc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c([O-])c1 ZINC000841029339 630398493 /nfs/dbraw/zinc/39/84/93/630398493.db2.gz PYFRVIUXORGVQG-CYBMUJFWSA-N 1 3 300.402 3.100 20 10 DGCDHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc(N)cc3)CC2)C1 ZINC000841034704 630399959 /nfs/dbraw/zinc/39/99/59/630399959.db2.gz JSPJGNAWCJJUHM-OXQOHEQNSA-N 1 3 315.505 3.444 20 10 DGCDHO CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1[NH3+] ZINC000843053696 630609107 /nfs/dbraw/zinc/60/91/07/630609107.db2.gz RERHFNABBUBCHQ-MJGOQNOKSA-N 1 3 301.478 3.236 20 10 DGCDHO C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843129968 630617563 /nfs/dbraw/zinc/61/75/63/630617563.db2.gz VUJTWOPRHYYCRJ-CABCVRRESA-N 1 3 314.429 3.187 20 10 DGCDHO CCN1CC[C@@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850034829 632034322 /nfs/dbraw/zinc/03/43/22/632034322.db2.gz REIREGXTXQZYSL-AWEZNQCLSA-N 1 3 320.477 3.130 20 10 DGCDHO CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(C)cc1[O-] ZINC000850502174 632173419 /nfs/dbraw/zinc/17/34/19/632173419.db2.gz SIBPRNDZDBNTRD-WMZOPIPTSA-N 1 3 321.509 3.013 20 10 DGCDHO COc1cc(Cl)cc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1[O-] ZINC000387262676 685182811 /nfs/dbraw/zinc/18/28/11/685182811.db2.gz BZIUMMXUXGAEFL-UHFFFAOYSA-N 1 3 314.857 3.264 20 10 DGCDHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001335947483 1178974820 /nfs/dbraw/zinc/97/48/20/1178974820.db2.gz JQHLGJLFIUHASR-HXUWFJFHSA-N 1 3 315.505 3.484 20 10 DGCDHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001335947483 1178974825 /nfs/dbraw/zinc/97/48/25/1178974825.db2.gz JQHLGJLFIUHASR-HXUWFJFHSA-N 1 3 315.505 3.484 20 10 DGCDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001657322248 1196130603 /nfs/dbraw/zinc/13/06/03/1196130603.db2.gz DXOMONJJQNCUJA-MJGOQNOKSA-N 1 3 301.478 3.249 20 10 DGCDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001657322246 1196130688 /nfs/dbraw/zinc/13/06/88/1196130688.db2.gz DXOMONJJQNCUJA-HKUYNNGSSA-N 1 3 301.478 3.249 20 10 DGCDHO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1C ZINC001658176127 1196221744 /nfs/dbraw/zinc/22/17/44/1196221744.db2.gz ZHWJHHUFOMYWBH-FGTMMUONSA-N 1 3 302.462 3.214 20 10 DGCDHO Cc1c(CN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1C ZINC001138252337 1091126092 /nfs/dbraw/zinc/12/60/92/1091126092.db2.gz CLCUBKBCUOUPIH-UHFFFAOYSA-N 1 3 320.440 3.204 20 10 DGCDHO C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@H]1C[NH3+] ZINC001205651103 1091296744 /nfs/dbraw/zinc/29/67/44/1091296744.db2.gz ADZNJMGUEAYPAO-RYUDHWBXSA-N 1 3 316.367 3.218 20 10 DGCDHO C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@H]1C[NH3+] ZINC001205651103 1091296752 /nfs/dbraw/zinc/29/67/52/1091296752.db2.gz ADZNJMGUEAYPAO-RYUDHWBXSA-N 1 3 316.367 3.218 20 10 DGCDHO COc1cc(CN2CCC[C@@](C)(F)CC2)cc(C[NH+](C)C)c1O ZINC001139253506 1091501980 /nfs/dbraw/zinc/50/19/80/1091501980.db2.gz WHIAKSJGEQCUAJ-GOSISDBHSA-N 1 3 324.440 3.177 20 10 DGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@](F)(CN)C2)c(O)c1 ZINC001206371330 1091603845 /nfs/dbraw/zinc/60/38/45/1091603845.db2.gz SQDWNFMZFYNDDP-GOSISDBHSA-N 1 3 308.441 3.343 20 10 DGCDHO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](F)(CN)C2)c(O)c1 ZINC001206371330 1091603848 /nfs/dbraw/zinc/60/38/48/1091603848.db2.gz SQDWNFMZFYNDDP-GOSISDBHSA-N 1 3 308.441 3.343 20 10 DGCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](CN)C2)c2ccccc21 ZINC001206615928 1091690846 /nfs/dbraw/zinc/69/08/46/1091690846.db2.gz KLZASHPWDCYUQB-INIZCTEOSA-N 1 3 311.473 3.467 20 10 DGCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@@H](CN)C2)c2ccccc21 ZINC001206615928 1091690850 /nfs/dbraw/zinc/69/08/50/1091690850.db2.gz KLZASHPWDCYUQB-INIZCTEOSA-N 1 3 311.473 3.467 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)[C@H]3C)cc2)CC1 ZINC001140304027 1091819820 /nfs/dbraw/zinc/81/98/20/1091819820.db2.gz FBAMUINLKJBCNZ-QZTJIDSGSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3C)cc2)CC1 ZINC001140304027 1091819824 /nfs/dbraw/zinc/81/98/24/1091819824.db2.gz FBAMUINLKJBCNZ-QZTJIDSGSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)[C@@H]3C)cc2)CC1 ZINC001140304026 1091820579 /nfs/dbraw/zinc/82/05/79/1091820579.db2.gz FBAMUINLKJBCNZ-MSOLQXFVSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)[C@@H]3C)cc2)CC1 ZINC001140304026 1091820586 /nfs/dbraw/zinc/82/05/86/1091820586.db2.gz FBAMUINLKJBCNZ-MSOLQXFVSA-N 1 3 315.505 3.449 20 10 DGCDHO C[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000316426121 1095174023 /nfs/dbraw/zinc/17/40/23/1095174023.db2.gz BETZFULSCWCIOO-SJLPKXTDSA-N 1 3 301.478 3.249 20 10 DGCDHO C[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000316426121 1095174028 /nfs/dbraw/zinc/17/40/28/1095174028.db2.gz BETZFULSCWCIOO-SJLPKXTDSA-N 1 3 301.478 3.249 20 10 DGCDHO Cc1c(CN2CCC[C@@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222264518 1095519271 /nfs/dbraw/zinc/51/92/71/1095519271.db2.gz CYUMJGGUPHMYCN-HXUWFJFHSA-N 1 3 311.473 3.452 20 10 DGCDHO CCc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c(O)c1 ZINC001222610271 1095691713 /nfs/dbraw/zinc/69/17/13/1095691713.db2.gz WOWDOMGBGOGHIU-LJQANCHMSA-N 1 3 322.452 3.144 20 10 DGCDHO CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c(O)c1 ZINC001222610271 1095691722 /nfs/dbraw/zinc/69/17/22/1095691722.db2.gz WOWDOMGBGOGHIU-LJQANCHMSA-N 1 3 322.452 3.144 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119610862 1096232430 /nfs/dbraw/zinc/23/24/30/1096232430.db2.gz IJHJXAORXUUVLL-HXUWFJFHSA-N 1 3 313.489 3.252 20 10 DGCDHO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234987810 1098735995 /nfs/dbraw/zinc/73/59/95/1098735995.db2.gz KJYJEYVNKYBLMQ-MJGOQNOKSA-N 1 3 322.452 3.443 20 10 DGCDHO C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234987810 1098736007 /nfs/dbraw/zinc/73/60/07/1098736007.db2.gz KJYJEYVNKYBLMQ-MJGOQNOKSA-N 1 3 322.452 3.443 20 10 DGCDHO C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234987810 1098736020 /nfs/dbraw/zinc/73/60/20/1098736020.db2.gz KJYJEYVNKYBLMQ-MJGOQNOKSA-N 1 3 322.452 3.443 20 10 DGCDHO C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C[C@@H]2C1 ZINC001234987810 1098736027 /nfs/dbraw/zinc/73/60/27/1098736027.db2.gz KJYJEYVNKYBLMQ-MJGOQNOKSA-N 1 3 322.452 3.443 20 10 DGCDHO CN(C)c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001234991331 1098736232 /nfs/dbraw/zinc/73/62/32/1098736232.db2.gz FFWLPYSGGZLZEP-NRFANRHFSA-N 1 3 323.484 3.481 20 10 DGCDHO CC(C)(C)c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001234999618 1098742626 /nfs/dbraw/zinc/74/26/26/1098742626.db2.gz NEEUDKOFLKUODX-IBGZPJMESA-N 1 3 302.462 3.265 20 10 DGCDHO CC(C)c1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c([O-])c1 ZINC001235132138 1098827973 /nfs/dbraw/zinc/82/79/73/1098827973.db2.gz GCLSYVQBIBOKOJ-UHFFFAOYSA-N 1 3 302.462 3.481 20 10 DGCDHO Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235156189 1098841509 /nfs/dbraw/zinc/84/15/09/1098841509.db2.gz FKVROBRJFDTPRS-SFHVURJKSA-N 1 3 302.462 3.363 20 10 DGCDHO Cc1cc(C)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235156189 1098841516 /nfs/dbraw/zinc/84/15/16/1098841516.db2.gz FKVROBRJFDTPRS-SFHVURJKSA-N 1 3 302.462 3.363 20 10 DGCDHO Cc1c(C[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)c2ccccc2n1C ZINC001235404184 1099001058 /nfs/dbraw/zinc/00/10/58/1099001058.db2.gz MZSIYVBRFDKHEX-OALUTQOASA-N 1 3 315.436 3.010 20 10 DGCDHO Cc1c(C[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)c2ccccc2n1C ZINC001235404184 1099001070 /nfs/dbraw/zinc/00/10/70/1099001070.db2.gz MZSIYVBRFDKHEX-OALUTQOASA-N 1 3 315.436 3.010 20 10 DGCDHO Cc1c(C[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)c2ccccc2n1C ZINC001235404180 1099002295 /nfs/dbraw/zinc/00/22/95/1099002295.db2.gz MZSIYVBRFDKHEX-MOPGFXCFSA-N 1 3 315.436 3.010 20 10 DGCDHO Cc1c(C[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)c2ccccc2n1C ZINC001235404180 1099002308 /nfs/dbraw/zinc/00/23/08/1099002308.db2.gz MZSIYVBRFDKHEX-MOPGFXCFSA-N 1 3 315.436 3.010 20 10 DGCDHO CCc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC001235423897 1099015474 /nfs/dbraw/zinc/01/54/74/1099015474.db2.gz GYGDGBMOFCYVLX-DLBZAZTESA-N 1 3 302.462 3.166 20 10 DGCDHO CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC001235423897 1099015485 /nfs/dbraw/zinc/01/54/85/1099015485.db2.gz GYGDGBMOFCYVLX-DLBZAZTESA-N 1 3 302.462 3.166 20 10 DGCDHO Cc1cc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001235928545 1099265413 /nfs/dbraw/zinc/26/54/13/1099265413.db2.gz AGXYRZQOCFUJAN-MJGOQNOKSA-N 1 3 309.457 3.135 20 10 DGCDHO Cc1cccc([O-])c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374634 1099559067 /nfs/dbraw/zinc/55/90/67/1099559067.db2.gz FOQJIKOFTJAARO-MRXNPFEDSA-N 1 3 302.462 3.445 20 10 DGCDHO Cc1cccc([O-])c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374634 1099559076 /nfs/dbraw/zinc/55/90/76/1099559076.db2.gz FOQJIKOFTJAARO-MRXNPFEDSA-N 1 3 302.462 3.445 20 10 DGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246924387 1104740596 /nfs/dbraw/zinc/74/05/96/1104740596.db2.gz MFFVBEOUGYFTRE-RBUKOAKNSA-N 1 3 303.494 3.351 20 10 DGCDHO CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524815 1106092508 /nfs/dbraw/zinc/09/25/08/1106092508.db2.gz ZWFQDNOHEQDEIG-GOSISDBHSA-N 1 3 301.478 3.203 20 10 DGCDHO CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524815 1106092511 /nfs/dbraw/zinc/09/25/11/1106092511.db2.gz ZWFQDNOHEQDEIG-GOSISDBHSA-N 1 3 301.478 3.203 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC001308569784 1111445304 /nfs/dbraw/zinc/44/53/04/1111445304.db2.gz IWOJJBHKNMLHHI-WMZOPIPTSA-N 1 3 302.462 3.432 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC001308569784 1111445307 /nfs/dbraw/zinc/44/53/07/1111445307.db2.gz IWOJJBHKNMLHHI-WMZOPIPTSA-N 1 3 302.462 3.432 20 10 DGCDHO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000194190358 286339155 /nfs/dbraw/zinc/33/91/55/286339155.db2.gz ACCLFSRANQPSLA-GJZGRUSLSA-N 1 3 306.450 3.173 20 10 DGCDHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000269013672 432150811 /nfs/dbraw/zinc/15/08/11/432150811.db2.gz ODMCAZKFAUPANT-OAHLLOKOSA-N 1 3 301.478 3.420 20 10 DGCDHO CCOc1cccc(C[N@H+](C)CC[C@H]2CCCCN2C)c1O ZINC000093660021 431917778 /nfs/dbraw/zinc/91/77/78/431917778.db2.gz URMYIELZQDNIMF-MRXNPFEDSA-N 1 3 306.450 3.097 20 10 DGCDHO CCOc1cccc(C[N@@H+](C)CC[C@H]2CCCCN2C)c1O ZINC000093660021 431917780 /nfs/dbraw/zinc/91/77/80/431917780.db2.gz URMYIELZQDNIMF-MRXNPFEDSA-N 1 3 306.450 3.097 20 10 DGCDHO C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1[O-] ZINC000183428215 432293171 /nfs/dbraw/zinc/29/31/71/432293171.db2.gz JEXOARGVIMXXMW-OAHLLOKOSA-N 1 3 314.429 3.183 20 10 DGCDHO COc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1[O-] ZINC000278823408 432904645 /nfs/dbraw/zinc/90/46/45/432904645.db2.gz ZPUMHUXBRQBKHR-UHFFFAOYSA-N 1 3 324.852 3.018 20 10 DGCDHO CCOc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000366951250 434532108 /nfs/dbraw/zinc/53/21/08/434532108.db2.gz IORJFEINDLJRTE-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO CCOc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000366951250 434532118 /nfs/dbraw/zinc/53/21/18/434532118.db2.gz IORJFEINDLJRTE-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792857 332248719 /nfs/dbraw/zinc/24/87/19/332248719.db2.gz OROXUJWLBWYLLU-UHOSZYNNSA-N 1 3 301.478 3.420 20 10 DGCDHO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792857 332248721 /nfs/dbraw/zinc/24/87/21/332248721.db2.gz OROXUJWLBWYLLU-UHOSZYNNSA-N 1 3 301.478 3.420 20 10 DGCDHO Cc1cc(C)c(O)c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000754735776 621529482 /nfs/dbraw/zinc/52/94/82/621529482.db2.gz BJVSNLFNXFONRT-QGZVFWFLSA-N 1 3 302.462 3.173 20 10 DGCDHO Cc1cc(C)c(O)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000754735776 621529485 /nfs/dbraw/zinc/52/94/85/621529485.db2.gz BJVSNLFNXFONRT-QGZVFWFLSA-N 1 3 302.462 3.173 20 10 DGCDHO Cc1cc(C)c(O)c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000754735773 621529505 /nfs/dbraw/zinc/52/95/05/621529505.db2.gz BJVSNLFNXFONRT-KRWDZBQOSA-N 1 3 302.462 3.173 20 10 DGCDHO Cc1cc(C)c(O)c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000754735773 621529507 /nfs/dbraw/zinc/52/95/07/621529507.db2.gz BJVSNLFNXFONRT-KRWDZBQOSA-N 1 3 302.462 3.173 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c([O-])c1 ZINC000768925261 622485649 /nfs/dbraw/zinc/48/56/49/622485649.db2.gz AQXNTLCFCLKKOI-UHFFFAOYSA-N 1 3 320.477 3.343 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c([O-])c1 ZINC000768925261 622485651 /nfs/dbraw/zinc/48/56/51/622485651.db2.gz AQXNTLCFCLKKOI-UHFFFAOYSA-N 1 3 320.477 3.343 20 10 DGCDHO CCOc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)c([O-])c1 ZINC000873232794 623085666 /nfs/dbraw/zinc/08/56/66/623085666.db2.gz MOWIHFRNSGWSTQ-GOSISDBHSA-N 1 3 318.461 3.193 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)ccc21 ZINC000796726885 626076609 /nfs/dbraw/zinc/07/66/09/626076609.db2.gz GIUFSKXTQIACGC-NSHGMRRFSA-N 1 3 313.489 3.031 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)ccc21 ZINC000796726885 626076612 /nfs/dbraw/zinc/07/66/12/626076612.db2.gz GIUFSKXTQIACGC-NSHGMRRFSA-N 1 3 313.489 3.031 20 10 DGCDHO C[C@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046675 630608353 /nfs/dbraw/zinc/60/83/53/630608353.db2.gz YWAADUWUUYTZKT-LPHOPBHVSA-N 1 3 301.478 3.379 20 10 DGCDHO C[C@H](N)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046675 630608356 /nfs/dbraw/zinc/60/83/56/630608356.db2.gz YWAADUWUUYTZKT-LPHOPBHVSA-N 1 3 301.478 3.379 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843125244 630616652 /nfs/dbraw/zinc/61/66/52/630616652.db2.gz OXOOBJMCVOLCEY-UONOGXRCSA-N 1 3 308.853 3.176 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843125244 630616653 /nfs/dbraw/zinc/61/66/53/630616653.db2.gz OXOOBJMCVOLCEY-UONOGXRCSA-N 1 3 308.853 3.176 20 10 DGCDHO CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127252 630616964 /nfs/dbraw/zinc/61/69/64/630616964.db2.gz PBTIIIGFNADPBC-HZPDHXFCSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127252 630616967 /nfs/dbraw/zinc/61/69/67/630616967.db2.gz PBTIIIGFNADPBC-HZPDHXFCSA-N 1 3 318.461 3.003 20 10 DGCDHO CN(C)c1ccc(/C=C/CNCc2ccc(C[NH3+])cc2F)cc1 ZINC000844907812 630975782 /nfs/dbraw/zinc/97/57/82/630975782.db2.gz OBTAAQWFUYEWGP-ONEGZZNKSA-N 1 3 313.420 3.153 20 10 DGCDHO COc1cc(C)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c([O-])c1 ZINC001657323432 1196130177 /nfs/dbraw/zinc/13/01/77/1196130177.db2.gz GAMHWGUHZZXTIF-UHFFFAOYSA-N 1 3 320.477 3.263 20 10 DGCDHO CN(Cc1ccccc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203555839 1090754422 /nfs/dbraw/zinc/75/44/22/1090754422.db2.gz HHAVCSYKEAQQID-UHFFFAOYSA-N 1 3 310.441 3.489 20 10 DGCDHO C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@H]1C[NH3+] ZINC001205651101 1091295733 /nfs/dbraw/zinc/29/57/33/1091295733.db2.gz ADZNJMGUEAYPAO-NEPJUHHUSA-N 1 3 316.367 3.218 20 10 DGCDHO C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@H]1C[NH3+] ZINC001205651101 1091295743 /nfs/dbraw/zinc/29/57/43/1091295743.db2.gz ADZNJMGUEAYPAO-NEPJUHHUSA-N 1 3 316.367 3.218 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC001140300068 1091819125 /nfs/dbraw/zinc/81/91/25/1091819125.db2.gz LKYNVJOTIUDBDS-UHFFFAOYSA-N 1 3 301.478 3.205 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](C)C[C@H]3C)cc2)CC1 ZINC001140303833 1091820484 /nfs/dbraw/zinc/82/04/84/1091820484.db2.gz BKPBKGOCKRYNQJ-ZWKOTPCHSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](C)C[C@H]3C)cc2)CC1 ZINC001140303833 1091820490 /nfs/dbraw/zinc/82/04/90/1091820490.db2.gz BKPBKGOCKRYNQJ-ZWKOTPCHSA-N 1 3 315.505 3.449 20 10 DGCDHO CC[C@H]1CCC[N@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140305551 1091820972 /nfs/dbraw/zinc/82/09/72/1091820972.db2.gz BWABOIUBRZYYBJ-SFHVURJKSA-N 1 3 315.505 3.451 20 10 DGCDHO CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140305551 1091820977 /nfs/dbraw/zinc/82/09/77/1091820977.db2.gz BWABOIUBRZYYBJ-SFHVURJKSA-N 1 3 315.505 3.451 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c([O-])c1 ZINC001276814097 1095107709 /nfs/dbraw/zinc/10/77/09/1095107709.db2.gz DUHCNQSSSAIXAR-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c([O-])c1 ZINC001276814097 1095107716 /nfs/dbraw/zinc/10/77/16/1095107716.db2.gz DUHCNQSSSAIXAR-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206317074 1098709664 /nfs/dbraw/zinc/70/96/64/1098709664.db2.gz CGVDMQHPKPNXFI-INIZCTEOSA-N 1 3 312.841 3.005 20 10 DGCDHO COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206317074 1098709673 /nfs/dbraw/zinc/70/96/73/1098709673.db2.gz CGVDMQHPKPNXFI-INIZCTEOSA-N 1 3 312.841 3.005 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001235030038 1098759121 /nfs/dbraw/zinc/75/91/21/1098759121.db2.gz DUJLPLOUITYHMP-FQEVSTJZSA-N 1 3 309.457 3.091 20 10 DGCDHO [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccc1)C[NH2+]CCO2 ZINC001235675256 1099118861 /nfs/dbraw/zinc/11/88/61/1099118861.db2.gz SYQHCFJLXYMQTF-SFHVURJKSA-N 1 3 324.424 3.211 20 10 DGCDHO [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1)C[NH2+]CCO2 ZINC001235675256 1099118866 /nfs/dbraw/zinc/11/88/66/1099118866.db2.gz SYQHCFJLXYMQTF-SFHVURJKSA-N 1 3 324.424 3.211 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c([O-])c1 ZINC001235701398 1099135755 /nfs/dbraw/zinc/13/57/55/1099135755.db2.gz AWGSIABBAMDLLH-UHFFFAOYSA-N 1 3 318.461 3.003 20 10 DGCDHO Cc1ccc([O-])c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375390 1099564210 /nfs/dbraw/zinc/56/42/10/1099564210.db2.gz JVENNAACJIZAFK-INIZCTEOSA-N 1 3 302.462 3.445 20 10 DGCDHO Cc1ccc([O-])c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375390 1099564219 /nfs/dbraw/zinc/56/42/19/1099564219.db2.gz JVENNAACJIZAFK-INIZCTEOSA-N 1 3 302.462 3.445 20 10 DGCDHO Cc1cccc([O-])c1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236963186 1099894518 /nfs/dbraw/zinc/89/45/18/1099894518.db2.gz VMBBZMBEZPHFSH-UHFFFAOYSA-N 1 3 302.462 3.302 20 10 DGCDHO COc1ccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1C ZINC001246345510 1104500572 /nfs/dbraw/zinc/50/05/72/1104500572.db2.gz IQFKAPNPBBZPOB-PMACEKPBSA-N 1 3 324.468 3.457 20 10 DGCDHO CCCOc1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001308965024 1111501663 /nfs/dbraw/zinc/50/16/63/1111501663.db2.gz BJFFNCKPHNEHSQ-GOSISDBHSA-N 1 3 302.462 3.215 20 10 DGCDHO CCOc1cccc(C[NH2+]CCCCC[NH+]2CCCC2)c1[O-] ZINC000292940371 433604668 /nfs/dbraw/zinc/60/46/68/433604668.db2.gz HVFJQTAMUXHQHJ-UHFFFAOYSA-N 1 3 306.450 3.147 20 10 DGCDHO C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000295828949 434441654 /nfs/dbraw/zinc/44/16/54/434441654.db2.gz DUXTXSUYVVCXKO-DOTOQJQBSA-N 1 3 302.462 3.481 20 10 DGCDHO C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000295828949 434441681 /nfs/dbraw/zinc/44/16/81/434441681.db2.gz DUXTXSUYVVCXKO-DOTOQJQBSA-N 1 3 302.462 3.481 20 10 DGCDHO CCN(C)c1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296048934 434491598 /nfs/dbraw/zinc/49/15/98/434491598.db2.gz UZKALJKLAVBEEU-DJXYKJKZSA-N 1 3 301.478 3.419 20 10 DGCDHO CCN(C)c1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296048934 434491607 /nfs/dbraw/zinc/49/16/07/434491607.db2.gz UZKALJKLAVBEEU-DJXYKJKZSA-N 1 3 301.478 3.419 20 10 DGCDHO CCN(C)c1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296048939 434492234 /nfs/dbraw/zinc/49/22/34/434492234.db2.gz UZKALJKLAVBEEU-NMACRGETSA-N 1 3 301.478 3.419 20 10 DGCDHO CCN(C)c1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296048939 434492242 /nfs/dbraw/zinc/49/22/42/434492242.db2.gz UZKALJKLAVBEEU-NMACRGETSA-N 1 3 301.478 3.419 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)cc1F ZINC000742385872 574995351 /nfs/dbraw/zinc/99/53/51/574995351.db2.gz ZJQUHXCEACBORD-CRAIPNDOSA-N 1 3 321.484 3.492 20 10 DGCDHO CCOc1ccc(O)c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853093533 620668071 /nfs/dbraw/zinc/66/80/71/620668071.db2.gz MJKDPFCXKUAYNK-MRXNPFEDSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(O)c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853093533 620668072 /nfs/dbraw/zinc/66/80/72/620668072.db2.gz MJKDPFCXKUAYNK-MRXNPFEDSA-N 1 3 318.461 3.003 20 10 DGCDHO C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[O-] ZINC000902500671 619643654 /nfs/dbraw/zinc/64/36/54/619643654.db2.gz GRWDYFUUZNVUPR-JNAXZKDPSA-N 1 3 324.424 3.299 20 10 DGCDHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000903955413 619846654 /nfs/dbraw/zinc/84/66/54/619846654.db2.gz RGYFAZVRXORWEJ-MRXNPFEDSA-N 1 3 323.431 3.011 20 10 DGCDHO CC1CCN(c2ccc(CN[C@H]3CC[NH2+]CC[C@H]3C)cc2)CC1 ZINC000817902384 627956956 /nfs/dbraw/zinc/95/69/56/627956956.db2.gz PAXUKAJZPJKRNC-XLIONFOSSA-N 1 3 315.505 3.401 20 10 DGCDHO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000835044130 629833605 /nfs/dbraw/zinc/83/36/05/629833605.db2.gz WWKPLOHTMDHXRN-WAQVGJNASA-N 1 3 301.478 3.228 20 10 DGCDHO Cc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1[O-] ZINC000843044196 630607800 /nfs/dbraw/zinc/60/78/00/630607800.db2.gz AAIDTKXVHYXBJM-MRXNPFEDSA-N 1 3 308.853 3.318 20 10 DGCDHO CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127253 630616998 /nfs/dbraw/zinc/61/69/98/630616998.db2.gz PBTIIIGFNADPBC-JKSUJKDBSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127253 630617000 /nfs/dbraw/zinc/61/70/00/630617000.db2.gz PBTIIIGFNADPBC-JKSUJKDBSA-N 1 3 318.461 3.003 20 10 DGCDHO C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843129970 630617486 /nfs/dbraw/zinc/61/74/86/630617486.db2.gz VUJTWOPRHYYCRJ-HUUCEWRRSA-N 1 3 314.429 3.187 20 10 DGCDHO COc1cccc([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC000846137379 631211441 /nfs/dbraw/zinc/21/14/41/631211441.db2.gz ORNYAWQAKRKLLZ-GFCCVEGCSA-N 1 3 306.450 3.361 20 10 DGCDHO COc1cccc([C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000846155974 631212495 /nfs/dbraw/zinc/21/24/95/631212495.db2.gz JLEDUOVQPXTYOO-CVEARBPZSA-N 1 3 320.477 3.419 20 10 DGCDHO COc1cccc([C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000846155974 631212496 /nfs/dbraw/zinc/21/24/96/631212496.db2.gz JLEDUOVQPXTYOO-CVEARBPZSA-N 1 3 320.477 3.419 20 10 DGCDHO CC1CCN(c2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000848717975 631733454 /nfs/dbraw/zinc/73/34/54/631733454.db2.gz DUXCKLHLJRMUTH-ROUUACIJSA-N 1 3 301.478 3.282 20 10 DGCDHO CCc1cccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000848889387 631773226 /nfs/dbraw/zinc/77/32/26/631773226.db2.gz JIEQAMGYPBGSLF-INIZCTEOSA-N 1 3 302.462 3.118 20 10 DGCDHO CCc1cccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1O ZINC000848889387 631773229 /nfs/dbraw/zinc/77/32/29/631773229.db2.gz JIEQAMGYPBGSLF-INIZCTEOSA-N 1 3 302.462 3.118 20 10 DGCDHO Cc1cc(C)c(O)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000164408998 658934368 /nfs/dbraw/zinc/93/43/68/658934368.db2.gz URYFBCPKPLKMLP-KRWDZBQOSA-N 1 3 302.462 3.317 20 10 DGCDHO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC001621108431 1193803374 /nfs/dbraw/zinc/80/33/74/1193803374.db2.gz OVMKARWJIQQMTL-DFQSSKMNSA-N 1 3 313.489 3.107 20 10 DGCDHO C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC001621108431 1193803378 /nfs/dbraw/zinc/80/33/78/1193803378.db2.gz OVMKARWJIQQMTL-DFQSSKMNSA-N 1 3 313.489 3.107 20 10 DGCDHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC001621108431 1193803380 /nfs/dbraw/zinc/80/33/80/1193803380.db2.gz OVMKARWJIQQMTL-DFQSSKMNSA-N 1 3 313.489 3.107 20 10 DGCDHO C[NH+](C)CC[C@H](NCc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001649412075 1195334558 /nfs/dbraw/zinc/33/45/58/1195334558.db2.gz FAKUKDCAQOIBOC-SFHVURJKSA-N 1 3 304.478 3.468 20 10 DGCDHO CCN(Cc1ccc(N(C)C)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389100 1087548390 /nfs/dbraw/zinc/54/83/90/1087548390.db2.gz KCSYKVUNQWEPLI-UHFFFAOYSA-N 1 3 315.505 3.449 20 10 DGCDHO C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001205922850 1091415356 /nfs/dbraw/zinc/41/53/56/1091415356.db2.gz BVRVIHKIIUFMDC-UONOGXRCSA-N 1 3 316.445 3.136 20 10 DGCDHO C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001205922850 1091415363 /nfs/dbraw/zinc/41/53/63/1091415363.db2.gz BVRVIHKIIUFMDC-UONOGXRCSA-N 1 3 316.445 3.136 20 10 DGCDHO C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001205922848 1091415438 /nfs/dbraw/zinc/41/54/38/1091415438.db2.gz BVRVIHKIIUFMDC-KBPBESRZSA-N 1 3 316.445 3.136 20 10 DGCDHO C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001205922848 1091415449 /nfs/dbraw/zinc/41/54/49/1091415449.db2.gz BVRVIHKIIUFMDC-KBPBESRZSA-N 1 3 316.445 3.136 20 10 DGCDHO COc1cc(CN2CCC[C@](C)(F)CC2)cc(C[NH+](C)C)c1O ZINC001139253507 1091501728 /nfs/dbraw/zinc/50/17/28/1091501728.db2.gz WHIAKSJGEQCUAJ-SFHVURJKSA-N 1 3 324.440 3.177 20 10 DGCDHO CCCC[N@H+](CCC)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139257617 1091502133 /nfs/dbraw/zinc/50/21/33/1091502133.db2.gz ZLABAWRIMZEQNQ-UHFFFAOYSA-N 1 3 308.466 3.475 20 10 DGCDHO CCCC[N@@H+](CCC)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139257617 1091502141 /nfs/dbraw/zinc/50/21/41/1091502141.db2.gz ZLABAWRIMZEQNQ-UHFFFAOYSA-N 1 3 308.466 3.475 20 10 DGCDHO CCC[N@@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)CC(C)C ZINC001139259550 1091503535 /nfs/dbraw/zinc/50/35/35/1091503535.db2.gz VQCLMNPHLCXOAI-UHFFFAOYSA-N 1 3 308.466 3.330 20 10 DGCDHO CCC[N@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)CC(C)C ZINC001139259550 1091503545 /nfs/dbraw/zinc/50/35/45/1091503545.db2.gz VQCLMNPHLCXOAI-UHFFFAOYSA-N 1 3 308.466 3.330 20 10 DGCDHO CCc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c([O-])c1 ZINC001276804435 1094970169 /nfs/dbraw/zinc/97/01/69/1094970169.db2.gz DYTFNZSCVORDOO-UHFFFAOYSA-N 1 3 302.462 3.262 20 10 DGCDHO CCc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c([O-])c1 ZINC001276804435 1094970174 /nfs/dbraw/zinc/97/01/74/1094970174.db2.gz DYTFNZSCVORDOO-UHFFFAOYSA-N 1 3 302.462 3.262 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001222141999 1095453194 /nfs/dbraw/zinc/45/31/94/1095453194.db2.gz UUXDUEBYLZTQTE-OAQYLSRUSA-N 1 3 323.484 3.481 20 10 DGCDHO CN(C)c1ccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222160284 1095466262 /nfs/dbraw/zinc/46/62/62/1095466262.db2.gz DSDNUALITGUMKR-FQEVSTJZSA-N 1 3 315.505 3.498 20 10 DGCDHO [NH3+]CC1(F)CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001222548580 1095661672 /nfs/dbraw/zinc/66/16/72/1095661672.db2.gz SORJTGWTCAQWBI-UHFFFAOYSA-N 1 3 314.404 3.322 20 10 DGCDHO CCN(C)c1ccc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001175775501 1098167722 /nfs/dbraw/zinc/16/77/22/1098167722.db2.gz RITQHWIUPWWUFS-KRWDZBQOSA-N 1 3 324.472 3.248 20 10 DGCDHO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC001235420615 1099012287 /nfs/dbraw/zinc/01/22/87/1099012287.db2.gz ACUVUDXPKXIJRE-LSDHHAIUSA-N 1 3 306.425 3.051 20 10 DGCDHO Cc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC001235420615 1099012297 /nfs/dbraw/zinc/01/22/97/1099012297.db2.gz ACUVUDXPKXIJRE-LSDHHAIUSA-N 1 3 306.425 3.051 20 10 DGCDHO Cc1cccc([O-])c1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235976793 1099307415 /nfs/dbraw/zinc/30/74/15/1099307415.db2.gz DSNVNGMSAJLJHN-UHFFFAOYSA-N 1 3 322.452 3.338 20 10 DGCDHO Cc1cccc([O-])c1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235976793 1099307425 /nfs/dbraw/zinc/30/74/25/1099307425.db2.gz DSNVNGMSAJLJHN-UHFFFAOYSA-N 1 3 322.452 3.338 20 10 DGCDHO Cc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c([O-])c1 ZINC001236377250 1099563150 /nfs/dbraw/zinc/56/31/50/1099563150.db2.gz ZZMZRTOJQNCFIJ-INIZCTEOSA-N 1 3 302.462 3.445 20 10 DGCDHO Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c([O-])c1 ZINC001236377250 1099563163 /nfs/dbraw/zinc/56/31/63/1099563163.db2.gz ZZMZRTOJQNCFIJ-INIZCTEOSA-N 1 3 302.462 3.445 20 10 DGCDHO CCN(CC)c1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236598627 1099695450 /nfs/dbraw/zinc/69/54/50/1099695450.db2.gz LYGTWJVRXQPKEN-GOSISDBHSA-N 1 3 315.505 3.497 20 10 DGCDHO CN(C)c1ccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246314438 1104483746 /nfs/dbraw/zinc/48/37/46/1104483746.db2.gz XNCQSUNNSJXKHD-UXHICEINSA-N 1 3 323.484 3.206 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC001320876917 1107171889 /nfs/dbraw/zinc/17/18/89/1107171889.db2.gz UAFNTGMATNLLCN-APWZRJJASA-N 1 3 303.494 3.305 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC001320876917 1107171894 /nfs/dbraw/zinc/17/18/94/1107171894.db2.gz UAFNTGMATNLLCN-APWZRJJASA-N 1 3 303.494 3.305 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC001308569780 1111445328 /nfs/dbraw/zinc/44/53/28/1111445328.db2.gz IWOJJBHKNMLHHI-SJLPKXTDSA-N 1 3 302.462 3.432 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC001308569780 1111445332 /nfs/dbraw/zinc/44/53/32/1111445332.db2.gz IWOJJBHKNMLHHI-SJLPKXTDSA-N 1 3 302.462 3.432 20 10 DGCDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125463688 431926818 /nfs/dbraw/zinc/92/68/18/431926818.db2.gz RSNBYTLEIBIGOF-GOSISDBHSA-N 1 3 301.478 3.060 20 10 DGCDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125463688 431926819 /nfs/dbraw/zinc/92/68/19/431926819.db2.gz RSNBYTLEIBIGOF-GOSISDBHSA-N 1 3 301.478 3.060 20 10 DGCDHO CC1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000157493315 432622784 /nfs/dbraw/zinc/62/27/84/432622784.db2.gz NUGQZINKDMDWMR-IEBWSBKVSA-N 1 3 315.505 3.495 20 10 DGCDHO CC1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000157493315 432622786 /nfs/dbraw/zinc/62/27/86/432622786.db2.gz NUGQZINKDMDWMR-IEBWSBKVSA-N 1 3 315.505 3.495 20 10 DGCDHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185563810 521550043 /nfs/dbraw/zinc/55/00/43/521550043.db2.gz KCJPTROESCMFQX-CQSZACIVSA-N 1 3 306.450 3.173 20 10 DGCDHO C[NH+]1CCC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000729682806 575260626 /nfs/dbraw/zinc/26/06/26/575260626.db2.gz OVGAWJXRBDLDDW-UHFFFAOYSA-N 1 3 310.441 3.491 20 10 DGCDHO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c1 ZINC000853241518 620681622 /nfs/dbraw/zinc/68/16/22/620681622.db2.gz WKFIPNZQQOOZBV-NVXWUHKLSA-N 1 3 302.462 3.473 20 10 DGCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])c1[O-] ZINC000925738073 618590754 /nfs/dbraw/zinc/59/07/54/618590754.db2.gz MXQWZMNQWFZYOD-JTQLQIEISA-N 1 3 315.255 3.241 20 10 DGCDHO CN(C)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000841057303 619249123 /nfs/dbraw/zinc/24/91/23/619249123.db2.gz IYDSSUUDBAEDGS-QWHCGFSZSA-N 1 3 315.383 3.131 20 10 DGCDHO CN(C)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000841057304 619249151 /nfs/dbraw/zinc/24/91/51/619249151.db2.gz IYDSSUUDBAEDGS-STQMWFEESA-N 1 3 315.383 3.131 20 10 DGCDHO COc1ccc(N2CC[C@H]([NH2+]C[C@@H](N)CCC(C)(C)C)C2)cc1 ZINC000904376543 619918327 /nfs/dbraw/zinc/91/83/27/619918327.db2.gz BCXOGKRXTIEEDJ-HOTGVXAUSA-N 1 3 319.493 3.017 20 10 DGCDHO C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756546845 621646689 /nfs/dbraw/zinc/64/66/89/621646689.db2.gz SHIRRNZRLKLTCP-WFASDCNBSA-N 1 3 306.425 3.401 20 10 DGCDHO [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000873251803 623092086 /nfs/dbraw/zinc/09/20/86/623092086.db2.gz OJOUVRNPXAJZSF-SCTDSRPQSA-N 1 3 310.441 3.393 20 10 DGCDHO CC[C@H]([NH2+]CCCN(C)CCOC)c1cc(Cl)ccc1O ZINC000775491622 623279882 /nfs/dbraw/zinc/27/98/82/623279882.db2.gz GFWBLTQLPXPSFH-HNNXBMFYSA-N 1 3 314.857 3.055 20 10 DGCDHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(N2CCCCC2)cc1 ZINC000817969085 627978499 /nfs/dbraw/zinc/97/84/99/627978499.db2.gz QZRWJUPJVPJBPP-AEFFLSMTSA-N 1 3 301.478 3.470 20 10 DGCDHO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)c(C(F)(F)F)c1 ZINC000818431019 628022514 /nfs/dbraw/zinc/02/25/14/628022514.db2.gz DARYMOAIGAENPB-HUUCEWRRSA-N 1 3 315.383 3.131 20 10 DGCDHO C[C@H](N)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046676 630608537 /nfs/dbraw/zinc/60/85/37/630608537.db2.gz YWAADUWUUYTZKT-QFBILLFUSA-N 1 3 301.478 3.379 20 10 DGCDHO C[C@H](N)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046676 630608538 /nfs/dbraw/zinc/60/85/38/630608538.db2.gz YWAADUWUUYTZKT-QFBILLFUSA-N 1 3 301.478 3.379 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2c1c(F)ccc2[O-] ZINC000843344080 630648175 /nfs/dbraw/zinc/64/81/75/630648175.db2.gz PPXZWBMDYRJPLI-IAQYHMDHSA-N 1 3 300.377 3.328 20 10 DGCDHO COc1cccc([C@H](C)NC2CC([NH+]3CCCCC3)C2)c1O ZINC000846168248 631213324 /nfs/dbraw/zinc/21/33/24/631213324.db2.gz RNMBHDYGFCQUBJ-NFOMZHRRSA-N 1 3 304.434 3.068 20 10 DGCDHO Cc1cc(O)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000172957374 659367394 /nfs/dbraw/zinc/36/73/94/659367394.db2.gz FWUIZHJTIIIWRH-QGZVFWFLSA-N 1 3 302.462 3.317 20 10 DGCDHO CCN(CC)c1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001203942405 1090845816 /nfs/dbraw/zinc/84/58/16/1090845816.db2.gz PGSIRKSDHSJHSY-UHFFFAOYSA-N 1 3 301.478 3.060 20 10 DGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@](F)(CN)C2)c(O)c1 ZINC001206371331 1091603878 /nfs/dbraw/zinc/60/38/78/1091603878.db2.gz SQDWNFMZFYNDDP-SFHVURJKSA-N 1 3 308.441 3.343 20 10 DGCDHO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@](F)(CN)C2)c(O)c1 ZINC001206371331 1091603882 /nfs/dbraw/zinc/60/38/82/1091603882.db2.gz SQDWNFMZFYNDDP-SFHVURJKSA-N 1 3 308.441 3.343 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c([O-])c1 ZINC001206554160 1091667317 /nfs/dbraw/zinc/66/73/17/1091667317.db2.gz BDWMPMSSGCPJKV-LJQANCHMSA-N 1 3 319.493 3.189 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c([O-])c1 ZINC001206554160 1091667323 /nfs/dbraw/zinc/66/73/23/1091667323.db2.gz BDWMPMSSGCPJKV-LJQANCHMSA-N 1 3 319.493 3.189 20 10 DGCDHO CC[NH+]1CCN(c2ccc(CN3CCC[C@](C)(F)C3)cc2)CC1 ZINC001140301885 1091818933 /nfs/dbraw/zinc/81/89/33/1091818933.db2.gz CFEBMLMCGJAHAM-IBGZPJMESA-N 1 3 319.468 3.153 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H](C)CC34CC4)cc2)CC1 ZINC001140305516 1091820607 /nfs/dbraw/zinc/82/06/07/1091820607.db2.gz AIHMNYDEHBSXFL-QGZVFWFLSA-N 1 3 313.489 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H](C)CC34CC4)cc2)CC1 ZINC001140305516 1091820616 /nfs/dbraw/zinc/82/06/16/1091820616.db2.gz AIHMNYDEHBSXFL-QGZVFWFLSA-N 1 3 313.489 3.203 20 10 DGCDHO CC(C)(C)c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001222155268 1095463107 /nfs/dbraw/zinc/46/31/07/1095463107.db2.gz YZRCFFKVNHHCID-LJQANCHMSA-N 1 3 302.462 3.265 20 10 DGCDHO CC[NH+](CC)C1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173112589 1097333240 /nfs/dbraw/zinc/33/32/40/1097333240.db2.gz CQAMUSYAOIPRGX-UHFFFAOYSA-N 1 3 302.462 3.403 20 10 DGCDHO CC[NH+](CC)C1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001173112589 1097333245 /nfs/dbraw/zinc/33/32/45/1097333245.db2.gz CQAMUSYAOIPRGX-UHFFFAOYSA-N 1 3 302.462 3.403 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001177333393 1098518229 /nfs/dbraw/zinc/51/82/29/1098518229.db2.gz BAWQOVZOFWHTMP-UHFFFAOYSA-N 1 3 315.505 3.497 20 10 DGCDHO Cc1cc(Cl)cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1[O-] ZINC001235133167 1098831201 /nfs/dbraw/zinc/83/12/01/1098831201.db2.gz NYUFWVCSQIBGGZ-UHFFFAOYSA-N 1 3 308.853 3.320 20 10 DGCDHO Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235156188 1098842957 /nfs/dbraw/zinc/84/29/57/1098842957.db2.gz FKVROBRJFDTPRS-GOSISDBHSA-N 1 3 302.462 3.363 20 10 DGCDHO Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235156188 1098842967 /nfs/dbraw/zinc/84/29/67/1098842967.db2.gz FKVROBRJFDTPRS-GOSISDBHSA-N 1 3 302.462 3.363 20 10 DGCDHO Cc1cc(F)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC001235420609 1099013992 /nfs/dbraw/zinc/01/39/92/1099013992.db2.gz ACUVUDXPKXIJRE-GJZGRUSLSA-N 1 3 306.425 3.051 20 10 DGCDHO Cc1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC001235420609 1099014003 /nfs/dbraw/zinc/01/40/03/1099014003.db2.gz ACUVUDXPKXIJRE-GJZGRUSLSA-N 1 3 306.425 3.051 20 10 DGCDHO C[N@H+](CCC[NH3+])Cc1c([O-])ccc2cc(Br)ccc21 ZINC001235435594 1099033959 /nfs/dbraw/zinc/03/39/59/1099033959.db2.gz RIGZYXRNABFTKA-UHFFFAOYSA-N 1 3 323.234 3.089 20 10 DGCDHO C[N@@H+](CCC[NH3+])Cc1c([O-])ccc2cc(Br)ccc21 ZINC001235435594 1099033973 /nfs/dbraw/zinc/03/39/73/1099033973.db2.gz RIGZYXRNABFTKA-UHFFFAOYSA-N 1 3 323.234 3.089 20 10 DGCDHO CN(C)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235889041 1099235314 /nfs/dbraw/zinc/23/53/14/1099235314.db2.gz VEMRAWDQMQIPHV-GOSISDBHSA-N 1 3 321.896 3.370 20 10 DGCDHO Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001235973589 1099302387 /nfs/dbraw/zinc/30/23/87/1099302387.db2.gz NJMKFRDQEPCWRE-UHFFFAOYSA-N 1 3 322.452 3.338 20 10 DGCDHO Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001235973589 1099302400 /nfs/dbraw/zinc/30/24/00/1099302400.db2.gz NJMKFRDQEPCWRE-UHFFFAOYSA-N 1 3 322.452 3.338 20 10 DGCDHO Cc1cccc(O)c1C[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001237487141 1100139934 /nfs/dbraw/zinc/13/99/34/1100139934.db2.gz GTLYCPISORGUJB-UHFFFAOYSA-N 1 3 306.425 3.099 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1[O-] ZINC001237686732 1100215415 /nfs/dbraw/zinc/21/54/15/1100215415.db2.gz MJFAYXYVPGAQQF-UHFFFAOYSA-N 1 3 308.853 3.272 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1[O-] ZINC001237686732 1100215419 /nfs/dbraw/zinc/21/54/19/1100215419.db2.gz MJFAYXYVPGAQQF-UHFFFAOYSA-N 1 3 308.853 3.272 20 10 DGCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246523391 1104577919 /nfs/dbraw/zinc/57/79/19/1104577919.db2.gz GXGKQTUPBQBBHR-SUNYJGFJSA-N 1 3 302.462 3.363 20 10 DGCDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000177974451 228336396 /nfs/dbraw/zinc/33/63/96/228336396.db2.gz JPAVXLSUMFIYAD-MDZRGWNJSA-N 1 3 301.478 3.105 20 10 DGCDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000177974451 228336398 /nfs/dbraw/zinc/33/63/98/228336398.db2.gz JPAVXLSUMFIYAD-MDZRGWNJSA-N 1 3 301.478 3.105 20 10 DGCDHO COc1ccc(O)c([C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000186142546 432561448 /nfs/dbraw/zinc/56/14/48/432561448.db2.gz IZIKNLMRWCXNOZ-HOTGVXAUSA-N 1 3 320.477 3.419 20 10 DGCDHO COc1ccc(O)c([C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000186142546 432561452 /nfs/dbraw/zinc/56/14/52/432561452.db2.gz IZIKNLMRWCXNOZ-HOTGVXAUSA-N 1 3 320.477 3.419 20 10 DGCDHO CCCN(c1ccc(C[NH3+])cc1)C1CCN(c2ccncc2)CC1 ZINC000298068875 433046716 /nfs/dbraw/zinc/04/67/16/433046716.db2.gz KUHLLCKMHRBBMS-UHFFFAOYSA-N 1 3 324.472 3.426 20 10 DGCDHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC000296118637 434515444 /nfs/dbraw/zinc/51/54/44/434515444.db2.gz ZZISIFJCXOFLKG-DQXYTYHJSA-N 1 3 301.478 3.419 20 10 DGCDHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000296118637 434515450 /nfs/dbraw/zinc/51/54/50/434515450.db2.gz ZZISIFJCXOFLKG-DQXYTYHJSA-N 1 3 301.478 3.419 20 10 DGCDHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792856 332248601 /nfs/dbraw/zinc/24/86/01/332248601.db2.gz OROXUJWLBWYLLU-QRQLOZEOSA-N 1 3 301.478 3.420 20 10 DGCDHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792856 332248603 /nfs/dbraw/zinc/24/86/03/332248603.db2.gz OROXUJWLBWYLLU-QRQLOZEOSA-N 1 3 301.478 3.420 20 10 DGCDHO CN(C)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000841057302 619249163 /nfs/dbraw/zinc/24/91/63/619249163.db2.gz IYDSSUUDBAEDGS-OLZOCXBDSA-N 1 3 315.383 3.131 20 10 DGCDHO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC1CC[NH+](C)CC1 ZINC000103462125 621378521 /nfs/dbraw/zinc/37/85/21/621378521.db2.gz FGBPADWUHXCQRT-UHFFFAOYSA-N 1 3 320.477 3.169 20 10 DGCDHO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC1CC[NH+](C)CC1 ZINC000103462125 621378523 /nfs/dbraw/zinc/37/85/23/621378523.db2.gz FGBPADWUHXCQRT-UHFFFAOYSA-N 1 3 320.477 3.169 20 10 DGCDHO CCOc1ccc(O)c(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000769469587 622530119 /nfs/dbraw/zinc/53/01/19/622530119.db2.gz AOIRVRAZZOMTDU-GDBMZVCRSA-N 1 3 306.450 3.096 20 10 DGCDHO CCOc1ccc(O)c(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000769469587 622530120 /nfs/dbraw/zinc/53/01/20/622530120.db2.gz AOIRVRAZZOMTDU-GDBMZVCRSA-N 1 3 306.450 3.096 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000773757076 623068773 /nfs/dbraw/zinc/06/87/73/623068773.db2.gz YIFRJURBCFGZNN-VQIMIIECSA-N 1 3 303.494 3.447 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000773757076 623068779 /nfs/dbraw/zinc/06/87/79/623068779.db2.gz YIFRJURBCFGZNN-VQIMIIECSA-N 1 3 303.494 3.447 20 10 DGCDHO CCN(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000773766311 623070500 /nfs/dbraw/zinc/07/05/00/623070500.db2.gz RPJPIWSXUTVAEO-HKUYNNGSSA-N 1 3 301.478 3.059 20 10 DGCDHO CCN(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000773766311 623070507 /nfs/dbraw/zinc/07/05/07/623070507.db2.gz RPJPIWSXUTVAEO-HKUYNNGSSA-N 1 3 301.478 3.059 20 10 DGCDHO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)C1CC[NH2+]CC1 ZINC000873268887 623098580 /nfs/dbraw/zinc/09/85/80/623098580.db2.gz IYJWZVAIWHAVEN-KGLIPLIRSA-N 1 3 302.462 3.310 20 10 DGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057647 627620387 /nfs/dbraw/zinc/62/03/87/627620387.db2.gz WHZDQAACGPYWBQ-FUHWJXTLSA-N 1 3 303.494 3.366 20 10 DGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057647 627620391 /nfs/dbraw/zinc/62/03/91/627620391.db2.gz WHZDQAACGPYWBQ-FUHWJXTLSA-N 1 3 303.494 3.366 20 10 DGCDHO CN(C)c1ccc(/C=C/C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000835045395 629833998 /nfs/dbraw/zinc/83/39/98/629833998.db2.gz LNDBQJDXJCTMEB-GQCTYLIASA-N 1 3 313.489 3.326 20 10 DGCDHO CN(C)c1ccc(/C=C/C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000835045395 629834001 /nfs/dbraw/zinc/83/40/01/629834001.db2.gz LNDBQJDXJCTMEB-GQCTYLIASA-N 1 3 313.489 3.326 20 10 DGCDHO COc1ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1C ZINC000842766360 630574122 /nfs/dbraw/zinc/57/41/22/630574122.db2.gz RLQQWHLVJDMDMC-UXHICEINSA-N 1 3 324.468 3.439 20 10 DGCDHO COc1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1C ZINC000842766360 630574126 /nfs/dbraw/zinc/57/41/26/630574126.db2.gz RLQQWHLVJDMDMC-UXHICEINSA-N 1 3 324.468 3.439 20 10 DGCDHO CN(C)c1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000849349533 631900830 /nfs/dbraw/zinc/90/08/30/631900830.db2.gz CDHXNRYSFGLNTF-KRWDZBQOSA-N 1 3 319.468 3.103 20 10 DGCDHO CC[NH+]1CCC(NCc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850010219 632027632 /nfs/dbraw/zinc/02/76/32/632027632.db2.gz FRKNUOPDZPMMPG-UHFFFAOYSA-N 1 3 320.477 3.272 20 10 DGCDHO CCOc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c([O-])c1 ZINC000850420364 632146572 /nfs/dbraw/zinc/14/65/72/632146572.db2.gz NFGOVYRUUWQBKI-UHFFFAOYSA-N 1 3 318.461 3.003 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246894778 655552961 /nfs/dbraw/zinc/55/29/61/655552961.db2.gz UECOEFAOGXPMQS-FXAWDEMLSA-N 1 3 313.489 3.201 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246894778 655552962 /nfs/dbraw/zinc/55/29/62/655552962.db2.gz UECOEFAOGXPMQS-FXAWDEMLSA-N 1 3 313.489 3.201 20 10 DGCDHO C[N@@H+]1CCC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000068722633 655598495 /nfs/dbraw/zinc/59/84/95/655598495.db2.gz UGKDTUOAGZMADX-SFHVURJKSA-N 1 3 301.478 3.108 20 10 DGCDHO C[N@H+]1CCC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000068722633 655598496 /nfs/dbraw/zinc/59/84/96/655598496.db2.gz UGKDTUOAGZMADX-SFHVURJKSA-N 1 3 301.478 3.108 20 10 DGCDHO COc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1[O-] ZINC000317473389 656619952 /nfs/dbraw/zinc/61/99/52/656619952.db2.gz CRFLJXRCKQXYSG-OAHLLOKOSA-N 1 3 324.852 3.018 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066055 657289302 /nfs/dbraw/zinc/28/93/02/657289302.db2.gz UECOEFAOGXPMQS-YLJYHZDGSA-N 1 3 313.489 3.201 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066055 657289304 /nfs/dbraw/zinc/28/93/04/657289304.db2.gz UECOEFAOGXPMQS-YLJYHZDGSA-N 1 3 313.489 3.201 20 10 DGCDHO Cc1cc(O)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000172957381 659367531 /nfs/dbraw/zinc/36/75/31/659367531.db2.gz FWUIZHJTIIIWRH-KRWDZBQOSA-N 1 3 302.462 3.317 20 10 DGCDHO CCCC[N@H+](C)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179932002 659946503 /nfs/dbraw/zinc/94/65/03/659946503.db2.gz VUIODEJLJMDHSD-UHFFFAOYSA-N 1 3 308.441 3.475 20 10 DGCDHO CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179932002 659946504 /nfs/dbraw/zinc/94/65/04/659946504.db2.gz VUIODEJLJMDHSD-UHFFFAOYSA-N 1 3 308.441 3.475 20 10 DGCDHO CC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140304579 1082124561 /nfs/dbraw/zinc/12/45/61/1082124561.db2.gz VPPXEEFFRRMMEY-GOSISDBHSA-N 1 3 301.478 3.203 20 10 DGCDHO CC[C@@H]1CCC[N@H+]1Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140304579 1082124563 /nfs/dbraw/zinc/12/45/63/1082124563.db2.gz VPPXEEFFRRMMEY-GOSISDBHSA-N 1 3 301.478 3.203 20 10 DGCDHO Oc1cccc2c1CN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001168001948 1086107954 /nfs/dbraw/zinc/10/79/54/1086107954.db2.gz AMAQVUHNMFBAKA-JWTNVVGKSA-N 1 3 312.457 3.156 20 10 DGCDHO Oc1cccc2c1CN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168001948 1086107957 /nfs/dbraw/zinc/10/79/57/1086107957.db2.gz AMAQVUHNMFBAKA-JWTNVVGKSA-N 1 3 312.457 3.156 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1[O-] ZINC001204741930 1091026998 /nfs/dbraw/zinc/02/69/98/1091026998.db2.gz FVWDEHRACRGONV-UHFFFAOYSA-N 1 3 308.853 3.320 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1[O-] ZINC001204741930 1091027004 /nfs/dbraw/zinc/02/70/04/1091027004.db2.gz FVWDEHRACRGONV-UHFFFAOYSA-N 1 3 308.853 3.320 20 10 DGCDHO [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001205591422 1091270767 /nfs/dbraw/zinc/27/07/67/1091270767.db2.gz MNQJAQKCTYXGIG-AWEZNQCLSA-N 1 3 320.330 3.064 20 10 DGCDHO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001205591422 1091270776 /nfs/dbraw/zinc/27/07/76/1091270776.db2.gz MNQJAQKCTYXGIG-AWEZNQCLSA-N 1 3 320.330 3.064 20 10 DGCDHO CCC[N@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)[C@H](C)CC ZINC001139253073 1091501760 /nfs/dbraw/zinc/50/17/60/1091501760.db2.gz KOVQZLMBJXFSEE-CQSZACIVSA-N 1 3 308.466 3.473 20 10 DGCDHO CCC[N@@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)[C@H](C)CC ZINC001139253073 1091501765 /nfs/dbraw/zinc/50/17/65/1091501765.db2.gz KOVQZLMBJXFSEE-CQSZACIVSA-N 1 3 308.466 3.473 20 10 DGCDHO CCN(CC)c1ccc(CN2CCCC[C@H](C[NH3+])C2)c(OC)c1 ZINC001206616796 1091689740 /nfs/dbraw/zinc/68/97/40/1091689740.db2.gz QHLBPWKIEFRXER-MRXNPFEDSA-N 1 3 319.493 3.102 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)CC3)cc2)CC1 ZINC001140301950 1091817925 /nfs/dbraw/zinc/81/79/25/1091817925.db2.gz FHTKEXJKVMDNIH-GOSISDBHSA-N 1 3 315.505 3.451 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)CC3)cc2)CC1 ZINC001140301950 1091817935 /nfs/dbraw/zinc/81/79/35/1091817935.db2.gz FHTKEXJKVMDNIH-GOSISDBHSA-N 1 3 315.505 3.451 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCCC34CC4)cc2)CC1 ZINC001140306436 1091819782 /nfs/dbraw/zinc/81/97/82/1091819782.db2.gz RXMXGULWSUCOFQ-UHFFFAOYSA-N 1 3 313.489 3.347 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCCCC34CC4)cc2)CC1 ZINC001140306436 1091819783 /nfs/dbraw/zinc/81/97/83/1091819783.db2.gz RXMXGULWSUCOFQ-UHFFFAOYSA-N 1 3 313.489 3.347 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)[C@H]3C)cc2)CC1 ZINC001140304029 1091820403 /nfs/dbraw/zinc/82/04/03/1091820403.db2.gz FBAMUINLKJBCNZ-ZWKOTPCHSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](C)[C@H]3C)cc2)CC1 ZINC001140304029 1091820410 /nfs/dbraw/zinc/82/04/10/1091820410.db2.gz FBAMUINLKJBCNZ-ZWKOTPCHSA-N 1 3 315.505 3.449 20 10 DGCDHO Cc1c(O)ccc(CN2CCCC[C@H]2CC[NH+]2CCCC2)c1O ZINC001140746235 1091983739 /nfs/dbraw/zinc/98/37/39/1091983739.db2.gz WRMKDIOQESNRFY-KRWDZBQOSA-N 1 3 318.461 3.247 20 10 DGCDHO CCN(C)c1ccc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001175775502 1098168050 /nfs/dbraw/zinc/16/80/50/1098168050.db2.gz RITQHWIUPWWUFS-QGZVFWFLSA-N 1 3 324.472 3.248 20 10 DGCDHO Cc1c(C[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)c2ccccc2n1C ZINC001235404187 1099001392 /nfs/dbraw/zinc/00/13/92/1099001392.db2.gz MZSIYVBRFDKHEX-RBUKOAKNSA-N 1 3 315.436 3.010 20 10 DGCDHO Cc1c(C[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)c2ccccc2n1C ZINC001235404187 1099001404 /nfs/dbraw/zinc/00/14/04/1099001404.db2.gz MZSIYVBRFDKHEX-RBUKOAKNSA-N 1 3 315.436 3.010 20 10 DGCDHO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC001235420612 1099012335 /nfs/dbraw/zinc/01/23/35/1099012335.db2.gz ACUVUDXPKXIJRE-HUUCEWRRSA-N 1 3 306.425 3.051 20 10 DGCDHO Cc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC001235420612 1099012347 /nfs/dbraw/zinc/01/23/47/1099012347.db2.gz ACUVUDXPKXIJRE-HUUCEWRRSA-N 1 3 306.425 3.051 20 10 DGCDHO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235928616 1099265354 /nfs/dbraw/zinc/26/53/54/1099265354.db2.gz BCWLVAGFOVWCQI-RTBURBONSA-N 1 3 309.457 3.135 20 10 DGCDHO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235928610 1099265468 /nfs/dbraw/zinc/26/54/68/1099265468.db2.gz BCWLVAGFOVWCQI-MOPGFXCFSA-N 1 3 309.457 3.135 20 10 DGCDHO c1ccc([C@H]2CCN2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235949502 1099284368 /nfs/dbraw/zinc/28/43/68/1099284368.db2.gz MUYGZVHETMJYGI-HXUWFJFHSA-N 1 3 307.441 3.043 20 10 DGCDHO CN(C)c1ccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246314436 1104484304 /nfs/dbraw/zinc/48/43/04/1104484304.db2.gz XNCQSUNNSJXKHD-PMACEKPBSA-N 1 3 323.484 3.206 20 10 DGCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246523388 1104577458 /nfs/dbraw/zinc/57/74/58/1104577458.db2.gz GXGKQTUPBQBBHR-LBTNJELSSA-N 1 3 302.462 3.363 20 10 DGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246924389 1104740535 /nfs/dbraw/zinc/74/05/35/1104740535.db2.gz MFFVBEOUGYFTRE-RTBURBONSA-N 1 3 303.494 3.351 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1F ZINC001308553122 1111443300 /nfs/dbraw/zinc/44/33/00/1111443300.db2.gz HETCWGRLVYBSND-JFIYKMOQSA-N 1 3 319.468 3.102 20 10 DGCDHO CCCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c([O-])c1 ZINC000278463882 130693794 /nfs/dbraw/zinc/69/37/94/130693794.db2.gz FRXAJQAXCFGGJQ-UHFFFAOYSA-N 1 3 318.461 3.145 20 10 DGCDHO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000269013671 432151630 /nfs/dbraw/zinc/15/16/30/432151630.db2.gz ODMCAZKFAUPANT-HNNXBMFYSA-N 1 3 301.478 3.420 20 10 DGCDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000173362635 432274041 /nfs/dbraw/zinc/27/40/41/432274041.db2.gz WLFCGFDGJAFYMB-VQIMIIECSA-N 1 3 301.478 3.107 20 10 DGCDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000173362635 432274047 /nfs/dbraw/zinc/27/40/47/432274047.db2.gz WLFCGFDGJAFYMB-VQIMIIECSA-N 1 3 301.478 3.107 20 10 DGCDHO C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(F)ccc1[O-] ZINC000184937545 432448067 /nfs/dbraw/zinc/44/80/67/432448067.db2.gz UPRZLPSCNWYCCS-CYBMUJFWSA-N 1 3 302.393 3.444 20 10 DGCDHO CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000927037277 619259698 /nfs/dbraw/zinc/25/96/98/619259698.db2.gz MLLXXJFBPLSHOR-KOHRHEQBSA-N 1 3 300.446 3.376 20 10 DGCDHO CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c([O-])c1 ZINC000922848827 621108446 /nfs/dbraw/zinc/10/84/46/621108446.db2.gz YWQUXEWAZIXXBY-UHFFFAOYSA-N 1 3 318.461 3.288 20 10 DGCDHO Cc1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923365137 621178847 /nfs/dbraw/zinc/17/88/47/621178847.db2.gz UALFGMBVYOKIOP-MJGOQNOKSA-N 1 3 301.478 3.025 20 10 DGCDHO C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(N2CCCCC2)cc1 ZINC000863545397 621682470 /nfs/dbraw/zinc/68/24/70/621682470.db2.gz QRLUIVGEWXFPEZ-RYRKJORJSA-N 1 3 301.478 3.468 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000796694289 626074151 /nfs/dbraw/zinc/07/41/51/626074151.db2.gz KZNPKPNRUFKILB-XUVXKRRUSA-N 1 3 315.505 3.495 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000796694289 626074153 /nfs/dbraw/zinc/07/41/53/626074153.db2.gz KZNPKPNRUFKILB-XUVXKRRUSA-N 1 3 315.505 3.495 20 10 DGCDHO CCC1(N2CCC2)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000884475219 626886130 /nfs/dbraw/zinc/88/61/30/626886130.db2.gz BQIXHFHLAFEUIW-UHFFFAOYSA-N 1 3 314.473 3.331 20 10 DGCDHO CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccc1[O-] ZINC000925886914 627812260 /nfs/dbraw/zinc/81/22/60/627812260.db2.gz MYZPQHYAZANMTR-POAQFYNOSA-N 1 3 310.441 3.492 20 10 DGCDHO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCc3ccccc32)cc1 ZINC000817938531 627966678 /nfs/dbraw/zinc/96/66/78/627966678.db2.gz MMOZDKDCAJXQLR-VQTJNVASSA-N 1 3 309.457 3.420 20 10 DGCDHO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCc3ccccc32)cc1 ZINC000817938532 627966758 /nfs/dbraw/zinc/96/67/58/627966758.db2.gz MMOZDKDCAJXQLR-WOJBJXKFSA-N 1 3 309.457 3.420 20 10 DGCDHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817946475 627970816 /nfs/dbraw/zinc/97/08/16/627970816.db2.gz XYSLWWIVSZKJLV-IRXDYDNUSA-N 1 3 301.478 3.327 20 10 DGCDHO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc2c(cc1[O-])CCCC2 ZINC000817987536 627984345 /nfs/dbraw/zinc/98/43/45/627984345.db2.gz UCMQDCTWTFDFDN-VIBAHUMZSA-N 1 3 314.473 3.310 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843043923 630607837 /nfs/dbraw/zinc/60/78/37/630607837.db2.gz DCBWPCBMTLGFBX-HKUYNNGSSA-N 1 3 301.478 3.025 20 10 DGCDHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538316 662235589 /nfs/dbraw/zinc/23/55/89/662235589.db2.gz JUGXUYLLKPDOGL-PKOBYXMFSA-N 1 3 314.473 3.187 20 10 DGCDHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538316 662235590 /nfs/dbraw/zinc/23/55/90/662235590.db2.gz JUGXUYLLKPDOGL-PKOBYXMFSA-N 1 3 314.473 3.187 20 10 DGCDHO C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000246197267 662250327 /nfs/dbraw/zinc/25/03/27/662250327.db2.gz AKRPREMIDIUEGI-LPHOPBHVSA-N 1 3 310.441 3.462 20 10 DGCDHO C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000246197267 662250329 /nfs/dbraw/zinc/25/03/29/662250329.db2.gz AKRPREMIDIUEGI-LPHOPBHVSA-N 1 3 310.441 3.462 20 10 DGCDHO C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000246197267 662250331 /nfs/dbraw/zinc/25/03/31/662250331.db2.gz AKRPREMIDIUEGI-LPHOPBHVSA-N 1 3 310.441 3.462 20 10 DGCDHO C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000246197267 662250333 /nfs/dbraw/zinc/25/03/33/662250333.db2.gz AKRPREMIDIUEGI-LPHOPBHVSA-N 1 3 310.441 3.462 20 10 DGCDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001473965238 1183840339 /nfs/dbraw/zinc/84/03/39/1183840339.db2.gz XRNIPOMWRLMOPT-SFHVURJKSA-N 1 3 301.478 3.108 20 10 DGCDHO C[NH+](C)CC[C@@H](NCc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001649412073 1195334946 /nfs/dbraw/zinc/33/49/46/1195334946.db2.gz FAKUKDCAQOIBOC-GOSISDBHSA-N 1 3 304.478 3.468 20 10 DGCDHO CN1CCCc2cc(CN(C[C@@H]3CCC[NH2+]C3)C3CC3)ccc21 ZINC000323675879 1197691701 /nfs/dbraw/zinc/69/17/01/1197691701.db2.gz GGCQBQCYEMSTQJ-QGZVFWFLSA-N 1 3 313.489 3.033 20 10 DGCDHO C[C@H](CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)N(C)C ZINC001203270796 1090710255 /nfs/dbraw/zinc/71/02/55/1090710255.db2.gz OSLPAIHATFDGKF-GFCCVEGCSA-N 1 3 317.399 3.201 20 10 DGCDHO CCN1C[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2C1 ZINC001138222302 1091120371 /nfs/dbraw/zinc/12/03/71/1091120371.db2.gz QVFWLKSLYOESHH-RTBURBONSA-N 1 3 313.489 3.060 20 10 DGCDHO CCC[N@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)[C@@H](C)CC ZINC001139253072 1091502757 /nfs/dbraw/zinc/50/27/57/1091502757.db2.gz KOVQZLMBJXFSEE-AWEZNQCLSA-N 1 3 308.466 3.473 20 10 DGCDHO CCC[N@@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)[C@@H](C)CC ZINC001139253072 1091502766 /nfs/dbraw/zinc/50/27/66/1091502766.db2.gz KOVQZLMBJXFSEE-AWEZNQCLSA-N 1 3 308.466 3.473 20 10 DGCDHO CC[NH+]1CCN(c2ccc(CN3CCC[C@@](C)(F)C3)cc2)CC1 ZINC001140301886 1091818003 /nfs/dbraw/zinc/81/80/03/1091818003.db2.gz CFEBMLMCGJAHAM-LJQANCHMSA-N 1 3 319.468 3.153 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H](C)C[C@H]3CF)cc2)CC1 ZINC001140302546 1091820370 /nfs/dbraw/zinc/82/03/70/1091820370.db2.gz UBAUBEHAABFCLG-LPHOPBHVSA-N 1 3 319.468 3.008 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H](C)C[C@H]3CF)cc2)CC1 ZINC001140302546 1091820380 /nfs/dbraw/zinc/82/03/80/1091820380.db2.gz UBAUBEHAABFCLG-LPHOPBHVSA-N 1 3 319.468 3.008 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)CCC3CC3)cc2)CC1 ZINC001140306566 1091820553 /nfs/dbraw/zinc/82/05/53/1091820553.db2.gz TXUDAIROSDIKFL-UHFFFAOYSA-N 1 3 301.478 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)CCC3CC3)cc2)CC1 ZINC001140306566 1091820559 /nfs/dbraw/zinc/82/05/59/1091820559.db2.gz TXUDAIROSDIKFL-UHFFFAOYSA-N 1 3 301.478 3.060 20 10 DGCDHO CC(C)(C)c1cccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC001222147980 1095457390 /nfs/dbraw/zinc/45/73/90/1095457390.db2.gz GWYLROWKVUTWQE-LJQANCHMSA-N 1 3 302.462 3.265 20 10 DGCDHO Cc1cc(CN2CCC3(C[NH2+]C3)CC2)c(C)n1-c1ccccc1 ZINC001222202626 1095491926 /nfs/dbraw/zinc/49/19/26/1095491926.db2.gz ASJZSDSLZUSXBF-UHFFFAOYSA-N 1 3 309.457 3.280 20 10 DGCDHO CN(C)c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001234991347 1098736110 /nfs/dbraw/zinc/73/61/10/1098736110.db2.gz FFWLPYSGGZLZEP-OAQYLSRUSA-N 1 3 323.484 3.481 20 10 DGCDHO C[NH+]1CCC2(C[NH+](Cc3ccc(C(C)(C)C)cc3[O-])C2)CC1 ZINC001235677407 1099119612 /nfs/dbraw/zinc/11/96/12/1099119612.db2.gz DMCWNDMDIQWWFW-UHFFFAOYSA-N 1 3 302.462 3.217 20 10 DGCDHO CCC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCCNC2 ZINC001235693930 1099132539 /nfs/dbraw/zinc/13/25/39/1099132539.db2.gz KFEDDTRWIUYSBM-MRXNPFEDSA-N 1 3 304.434 3.029 20 10 DGCDHO CCC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCCNC2 ZINC001235693930 1099132540 /nfs/dbraw/zinc/13/25/40/1099132540.db2.gz KFEDDTRWIUYSBM-MRXNPFEDSA-N 1 3 304.434 3.029 20 10 DGCDHO CCN(Cc1ccc(N(C)C)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236408967 1099582428 /nfs/dbraw/zinc/58/24/28/1099582428.db2.gz QRIPZGIAFKDOCY-MRXNPFEDSA-N 1 3 311.473 3.337 20 10 DGCDHO Cc1ccc(O)c(CN2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237289223 1100063116 /nfs/dbraw/zinc/06/31/16/1100063116.db2.gz NXWMNSAOBVCCNF-UHFFFAOYSA-N 1 3 322.452 3.338 20 10 DGCDHO C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]2CC1 ZINC001276287112 1105076793 /nfs/dbraw/zinc/07/67/93/1105076793.db2.gz NAQMLOPFLAWPKL-IYBDPMFKSA-N 1 3 316.489 3.463 20 10 DGCDHO C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]2CC1 ZINC001276287112 1105076801 /nfs/dbraw/zinc/07/68/01/1105076801.db2.gz NAQMLOPFLAWPKL-IYBDPMFKSA-N 1 3 316.489 3.463 20 10 DGCDHO C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]2CC1 ZINC001276287112 1105076809 /nfs/dbraw/zinc/07/68/09/1105076809.db2.gz NAQMLOPFLAWPKL-IYBDPMFKSA-N 1 3 316.489 3.463 20 10 DGCDHO C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@H]2CC1 ZINC001276287112 1105076819 /nfs/dbraw/zinc/07/68/19/1105076819.db2.gz NAQMLOPFLAWPKL-IYBDPMFKSA-N 1 3 316.489 3.463 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC001308569774 1111445520 /nfs/dbraw/zinc/44/55/20/1111445520.db2.gz IWOJJBHKNMLHHI-AEFFLSMTSA-N 1 3 302.462 3.432 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC001308569774 1111445522 /nfs/dbraw/zinc/44/55/22/1111445522.db2.gz IWOJJBHKNMLHHI-AEFFLSMTSA-N 1 3 302.462 3.432 20 10 DGCDHO CCOc1ccc([O-])c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000093688678 431917651 /nfs/dbraw/zinc/91/76/51/431917651.db2.gz MIHNJQDDPQWVBH-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000173362621 432274378 /nfs/dbraw/zinc/27/43/78/432274378.db2.gz WLFCGFDGJAFYMB-APWZRJJASA-N 1 3 301.478 3.107 20 10 DGCDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000173362621 432274383 /nfs/dbraw/zinc/27/43/83/432274383.db2.gz WLFCGFDGJAFYMB-APWZRJJASA-N 1 3 301.478 3.107 20 10 DGCDHO C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(F)ccc1[O-] ZINC000184937503 432447483 /nfs/dbraw/zinc/44/74/83/432447483.db2.gz UPRZLPSCNWYCCS-ZDUSSCGKSA-N 1 3 302.393 3.444 20 10 DGCDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280166354 433008372 /nfs/dbraw/zinc/00/83/72/433008372.db2.gz QYTYHOOKYAHHSD-DOTOQJQBSA-N 1 3 308.466 3.098 20 10 DGCDHO COc1cc(C)cc(C[NH2+]C2CCN(C3CCCC3)CC2)c1O ZINC000894324650 618764545 /nfs/dbraw/zinc/76/45/45/618764545.db2.gz AHJCSPZFVKXZIX-UHFFFAOYSA-N 1 3 318.461 3.206 20 10 DGCDHO CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000757675119 621732827 /nfs/dbraw/zinc/73/28/27/621732827.db2.gz ZYBJTKDQRPVOJV-UKRRQHHQSA-N 1 3 324.440 3.028 20 10 DGCDHO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000766029458 622300869 /nfs/dbraw/zinc/30/08/69/622300869.db2.gz KRAHSJNGVRQXNC-UHFFFAOYSA-N 1 3 303.494 3.414 20 10 DGCDHO C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000873236237 623087056 /nfs/dbraw/zinc/08/70/56/623087056.db2.gz ZLPYQHQCUPWAQV-CZUORRHYSA-N 1 3 302.393 3.142 20 10 DGCDHO CCC1(N2CCC2)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000884475898 626886205 /nfs/dbraw/zinc/88/62/05/626886205.db2.gz VZHAHYWYUZSZCP-UHFFFAOYSA-N 1 3 302.462 3.459 20 10 DGCDHO CSC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC[NH+](C)CC1 ZINC000810252145 626992360 /nfs/dbraw/zinc/99/23/60/626992360.db2.gz KBHSDMWRGQLEHL-CQSZACIVSA-N 1 3 308.491 3.179 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2c1c(F)ccc2[O-] ZINC000925846011 627804659 /nfs/dbraw/zinc/80/46/59/627804659.db2.gz MXUXDABOVUUCQB-VPSJLMRDSA-N 1 3 304.409 3.201 20 10 DGCDHO COc1cc(Cl)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431787 628022684 /nfs/dbraw/zinc/02/26/84/628022684.db2.gz TVWNUPURBKUSJF-GFCCVEGCSA-N 1 3 324.852 3.018 20 10 DGCDHO COc1cc(Cl)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431787 628022685 /nfs/dbraw/zinc/02/26/85/628022685.db2.gz TVWNUPURBKUSJF-GFCCVEGCSA-N 1 3 324.852 3.018 20 10 DGCDHO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000841057301 630403212 /nfs/dbraw/zinc/40/32/12/630403212.db2.gz IYDSSUUDBAEDGS-CHWSQXEVSA-N 1 3 315.383 3.131 20 10 DGCDHO CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1[NH3+] ZINC000843053695 630608887 /nfs/dbraw/zinc/60/88/87/630608887.db2.gz RERHFNABBUBCHQ-IEBWSBKVSA-N 1 3 301.478 3.236 20 10 DGCDHO Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c([O-])c1 ZINC000850585391 632203143 /nfs/dbraw/zinc/20/31/43/632203143.db2.gz WRGJKGPRUMNXEM-OAHLLOKOSA-N 1 3 302.462 3.473 20 10 DGCDHO COc1cc(CNC[C@]2(C)CCC[NH2+]C2)c(O)c(C(C)(C)C)c1 ZINC001579152731 1191968013 /nfs/dbraw/zinc/96/80/13/1191968013.db2.gz FCHARAFHHQQUSC-LJQANCHMSA-N 1 3 320.477 3.178 20 10 DGCDHO Cc1cc(CN(C)CC(C)(C)C[NH3+])ccc1N1CCCCC1 ZINC001579592968 1191980940 /nfs/dbraw/zinc/98/09/40/1191980940.db2.gz OVOQNPVGQAAIBJ-UHFFFAOYSA-N 1 3 303.494 3.402 20 10 DGCDHO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1C ZINC001658176130 1196221381 /nfs/dbraw/zinc/22/13/81/1196221381.db2.gz ZHWJHHUFOMYWBH-RCCFBDPRSA-N 1 3 302.462 3.214 20 10 DGCDHO COc1ccc(O)c(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001659420804 1196381962 /nfs/dbraw/zinc/38/19/62/1196381962.db2.gz PWPGXIOAUWZQCG-LSDHHAIUSA-N 1 3 318.461 3.143 20 10 DGCDHO COc1ccc(O)c(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001659420804 1196381965 /nfs/dbraw/zinc/38/19/65/1196381965.db2.gz PWPGXIOAUWZQCG-LSDHHAIUSA-N 1 3 318.461 3.143 20 10 DGCDHO CC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140304580 1082124481 /nfs/dbraw/zinc/12/44/81/1082124481.db2.gz VPPXEEFFRRMMEY-SFHVURJKSA-N 1 3 301.478 3.203 20 10 DGCDHO CC[C@H]1CCC[N@H+]1Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140304580 1082124485 /nfs/dbraw/zinc/12/44/85/1082124485.db2.gz VPPXEEFFRRMMEY-SFHVURJKSA-N 1 3 301.478 3.203 20 10 DGCDHO CC(C)c1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001204741743 1091027614 /nfs/dbraw/zinc/02/76/14/1091027614.db2.gz AFYGYRMALOUYRE-UHFFFAOYSA-N 1 3 302.462 3.481 20 10 DGCDHO CC(C)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001204741743 1091027620 /nfs/dbraw/zinc/02/76/20/1091027620.db2.gz AFYGYRMALOUYRE-UHFFFAOYSA-N 1 3 302.462 3.481 20 10 DGCDHO CN1CC2(C1)CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138220423 1091120288 /nfs/dbraw/zinc/12/02/88/1091120288.db2.gz BXCDWXCQXWIKSU-UHFFFAOYSA-N 1 3 313.489 3.205 20 10 DGCDHO [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001205581530 1091266179 /nfs/dbraw/zinc/26/61/79/1091266179.db2.gz VGWJJFKXEGOQEC-SFHVURJKSA-N 1 3 302.393 3.198 20 10 DGCDHO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001205581530 1091266189 /nfs/dbraw/zinc/26/61/89/1091266189.db2.gz VGWJJFKXEGOQEC-SFHVURJKSA-N 1 3 302.393 3.198 20 10 DGCDHO CCC(CC)[N@H+](CC)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139258040 1091502087 /nfs/dbraw/zinc/50/20/87/1091502087.db2.gz KJPNGFWBANRRHL-UHFFFAOYSA-N 1 3 308.466 3.473 20 10 DGCDHO CCC(CC)[N@@H+](CC)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139258040 1091502093 /nfs/dbraw/zinc/50/20/93/1091502093.db2.gz KJPNGFWBANRRHL-UHFFFAOYSA-N 1 3 308.466 3.473 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)C[C@@H]3C)cc2)CC1 ZINC001140303828 1091820078 /nfs/dbraw/zinc/82/00/78/1091820078.db2.gz BKPBKGOCKRYNQJ-MSOLQXFVSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C)C[C@@H]3C)cc2)CC1 ZINC001140303828 1091820084 /nfs/dbraw/zinc/82/00/84/1091820084.db2.gz BKPBKGOCKRYNQJ-MSOLQXFVSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)C[C@H]3CC3(C)C)cc2)CC1 ZINC001140305752 1091820113 /nfs/dbraw/zinc/82/01/13/1091820113.db2.gz HGPCMIOTQHMEJS-GOSISDBHSA-N 1 3 315.505 3.306 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)C[C@H]3CC3(C)C)cc2)CC1 ZINC001140305752 1091820116 /nfs/dbraw/zinc/82/01/16/1091820116.db2.gz HGPCMIOTQHMEJS-GOSISDBHSA-N 1 3 315.505 3.306 20 10 DGCDHO CCC1CC[NH+](Cc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC001140302756 1091820892 /nfs/dbraw/zinc/82/08/92/1091820892.db2.gz ZOLCOVPAVVKVTI-UHFFFAOYSA-N 1 3 315.505 3.451 20 10 DGCDHO COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c([O-])c1 ZINC001276805967 1094988909 /nfs/dbraw/zinc/98/89/09/1094988909.db2.gz DRDYCHBPELBRSG-UHFFFAOYSA-N 1 3 318.461 3.017 20 10 DGCDHO COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c([O-])c1 ZINC001276805967 1094988924 /nfs/dbraw/zinc/98/89/24/1094988924.db2.gz DRDYCHBPELBRSG-UHFFFAOYSA-N 1 3 318.461 3.017 20 10 DGCDHO CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c([O-])c1 ZINC001276814083 1095108538 /nfs/dbraw/zinc/10/85/38/1095108538.db2.gz DGGYWGGRMNLPIA-CALCHBBNSA-N 1 3 302.462 3.289 20 10 DGCDHO CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c([O-])c1 ZINC001276814083 1095108541 /nfs/dbraw/zinc/10/85/41/1095108541.db2.gz DGGYWGGRMNLPIA-CALCHBBNSA-N 1 3 302.462 3.289 20 10 DGCDHO CC(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c([O-])c1 ZINC001276814083 1095108545 /nfs/dbraw/zinc/10/85/45/1095108545.db2.gz DGGYWGGRMNLPIA-CALCHBBNSA-N 1 3 302.462 3.289 20 10 DGCDHO CC(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c([O-])c1 ZINC001276814083 1095108550 /nfs/dbraw/zinc/10/85/50/1095108550.db2.gz DGGYWGGRMNLPIA-CALCHBBNSA-N 1 3 302.462 3.289 20 10 DGCDHO CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000316305809 1095169615 /nfs/dbraw/zinc/16/96/15/1095169615.db2.gz ZXRIBOLIJITXGI-IPMKNSEASA-N 1 3 301.478 3.153 20 10 DGCDHO CCN1C[C@H]2C[NH+](Cc3cc(C)n(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001137858957 1095770686 /nfs/dbraw/zinc/77/06/86/1095770686.db2.gz BSDFJHXTBZRNMR-PMACEKPBSA-N 1 3 323.484 3.478 20 10 DGCDHO Cc1cc(F)cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1[O-] ZINC001277519515 1097751914 /nfs/dbraw/zinc/75/19/14/1097751914.db2.gz ZRYUVZUFSWKMIQ-UHFFFAOYSA-N 1 3 306.425 3.148 20 10 DGCDHO Cc1cc(F)cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1[O-] ZINC001277519515 1097751916 /nfs/dbraw/zinc/75/19/16/1097751916.db2.gz ZRYUVZUFSWKMIQ-UHFFFAOYSA-N 1 3 306.425 3.148 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235239282 1098911792 /nfs/dbraw/zinc/91/17/92/1098911792.db2.gz UXXVAEDUFBPIHJ-SFHVURJKSA-N 1 3 318.461 3.145 20 10 DGCDHO CCc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235241123 1098914463 /nfs/dbraw/zinc/91/44/63/1098914463.db2.gz YOBGIQLWJGMJIA-GOSISDBHSA-N 1 3 302.462 3.309 20 10 DGCDHO CN(Cc1ccc(N(C)C)c2ccccc12)C[C@H]1CCC[NH2+]C1 ZINC001235950400 1099283784 /nfs/dbraw/zinc/28/37/84/1099283784.db2.gz DWLYMMOFTUQHRS-INIZCTEOSA-N 1 3 311.473 3.337 20 10 DGCDHO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1N ZINC001236217155 1099474518 /nfs/dbraw/zinc/47/45/18/1099474518.db2.gz NCRZCIZUABCFRG-RTBURBONSA-N 1 3 301.478 3.379 20 10 DGCDHO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1N ZINC001236217155 1099474522 /nfs/dbraw/zinc/47/45/22/1099474522.db2.gz NCRZCIZUABCFRG-RTBURBONSA-N 1 3 301.478 3.379 20 10 DGCDHO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@H]1N ZINC001236219711 1099477698 /nfs/dbraw/zinc/47/76/98/1099477698.db2.gz XMXDJTIPSNXEIQ-RTBURBONSA-N 1 3 313.489 3.087 20 10 DGCDHO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@H]1N ZINC001236219711 1099477703 /nfs/dbraw/zinc/47/77/03/1099477703.db2.gz XMXDJTIPSNXEIQ-RTBURBONSA-N 1 3 313.489 3.087 20 10 DGCDHO Oc1cc2c(cc1C[N@@H+]1CCC3(C1)CCCCC3)CNCCO2 ZINC001237205388 1100032047 /nfs/dbraw/zinc/03/20/47/1100032047.db2.gz UGENSSZTXHPHAR-UHFFFAOYSA-N 1 3 316.445 3.030 20 10 DGCDHO Oc1cc2c(cc1C[N@H+]1CCC3(C1)CCCCC3)CNCCO2 ZINC001237205388 1100032057 /nfs/dbraw/zinc/03/20/57/1100032057.db2.gz UGENSSZTXHPHAR-UHFFFAOYSA-N 1 3 316.445 3.030 20 10 DGCDHO Cc1ccc(CN2CCC3(CC2)[NH2+]CCc2ccccc23)c(O)c1 ZINC001237287862 1100063860 /nfs/dbraw/zinc/06/38/60/1100063860.db2.gz ADSVREOLYULRFP-UHFFFAOYSA-N 1 3 322.452 3.338 20 10 DGCDHO C[NH2+][C@@]12CC[C@@](NCc3ccc(N(C)C)c(C)c3)(C1)CCC2 ZINC001275361223 1104736187 /nfs/dbraw/zinc/73/61/87/1104736187.db2.gz QCYROJKOTRPLEF-RBUKOAKNSA-N 1 3 301.478 3.215 20 10 DGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246924383 1104739224 /nfs/dbraw/zinc/73/92/24/1104739224.db2.gz MFFVBEOUGYFTRE-MOPGFXCFSA-N 1 3 303.494 3.351 20 10 DGCDHO CC[N@@H+]1CC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000124163457 431885080 /nfs/dbraw/zinc/88/50/80/431885080.db2.gz GZIIOLNVNWKHGR-SFHVURJKSA-N 1 3 301.478 3.108 20 10 DGCDHO CC[N@H+]1CC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000124163457 431885082 /nfs/dbraw/zinc/88/50/82/431885082.db2.gz GZIIOLNVNWKHGR-SFHVURJKSA-N 1 3 301.478 3.108 20 10 DGCDHO CCN1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000124163457 431885084 /nfs/dbraw/zinc/88/50/84/431885084.db2.gz GZIIOLNVNWKHGR-SFHVURJKSA-N 1 3 301.478 3.108 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423085840 434207155 /nfs/dbraw/zinc/20/71/55/434207155.db2.gz LOUACBYTVMNRKL-KZNAEPCWSA-N 1 3 311.473 3.497 20 10 DGCDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925779997 618617775 /nfs/dbraw/zinc/61/77/75/618617775.db2.gz DDGXGXMXQBJNHJ-HIFRSBDPSA-N 1 3 311.420 3.038 20 10 DGCDHO C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[O-] ZINC000902500669 619643646 /nfs/dbraw/zinc/64/36/46/619643646.db2.gz GRWDYFUUZNVUPR-GZRFBZBPSA-N 1 3 324.424 3.299 20 10 DGCDHO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](N)CCC(C)(C)C)C2)cc1 ZINC000904376545 619918283 /nfs/dbraw/zinc/91/82/83/619918283.db2.gz BCXOGKRXTIEEDJ-JKSUJKDBSA-N 1 3 319.493 3.017 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756546841 621646511 /nfs/dbraw/zinc/64/65/11/621646511.db2.gz SHIRRNZRLKLTCP-IUODEOHRSA-N 1 3 306.425 3.401 20 10 DGCDHO [O-]c1ccccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000770509581 622640414 /nfs/dbraw/zinc/64/04/14/622640414.db2.gz PDQONEDRKBWMQV-UHFFFAOYSA-N 1 3 302.462 3.480 20 10 DGCDHO C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(F)ccc1[O-] ZINC000873234819 623086118 /nfs/dbraw/zinc/08/61/18/623086118.db2.gz FZIUZSDGNFUWQS-LBPRGKRZSA-N 1 3 300.377 3.028 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000796772265 626081130 /nfs/dbraw/zinc/08/11/30/626081130.db2.gz PQWIAKNWJBEUHB-OTWHNJEPSA-N 1 3 301.478 3.023 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000796772265 626081131 /nfs/dbraw/zinc/08/11/31/626081131.db2.gz PQWIAKNWJBEUHB-OTWHNJEPSA-N 1 3 301.478 3.023 20 10 DGCDHO CCOc1ccc(O)c(C[N@H+](CC)CCCN2CCCC2)c1 ZINC000809749866 626946500 /nfs/dbraw/zinc/94/65/00/626946500.db2.gz LHPIWXSFTXOQLU-UHFFFAOYSA-N 1 3 306.450 3.099 20 10 DGCDHO CCOc1ccc(O)c(C[N@@H+](CC)CCCN2CCCC2)c1 ZINC000809749866 626946505 /nfs/dbraw/zinc/94/65/05/626946505.db2.gz LHPIWXSFTXOQLU-UHFFFAOYSA-N 1 3 306.450 3.099 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000809767351 626948716 /nfs/dbraw/zinc/94/87/16/626948716.db2.gz INHYXCFYTYQDRW-AZUAARDMSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000809767351 626948721 /nfs/dbraw/zinc/94/87/21/626948721.db2.gz INHYXCFYTYQDRW-AZUAARDMSA-N 1 3 315.505 3.449 20 10 DGCDHO C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000925886989 627812547 /nfs/dbraw/zinc/81/25/47/627812547.db2.gz PAKCTARGHJVIJM-NRXGSXMXSA-N 1 3 314.404 3.241 20 10 DGCDHO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc2c(cc1[O-])CCCC2 ZINC000817965392 627977885 /nfs/dbraw/zinc/97/78/85/627977885.db2.gz TULLQYZTONAHLP-AWEZNQCLSA-N 1 3 302.462 3.311 20 10 DGCDHO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817967208 627977987 /nfs/dbraw/zinc/97/79/87/627977987.db2.gz FOCKMFTUGGSIET-RLFYNMQTSA-N 1 3 319.468 3.465 20 10 DGCDHO CC[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000817987219 627984490 /nfs/dbraw/zinc/98/44/90/627984490.db2.gz YHZSZBASKUJOGD-WMZOPIPTSA-N 1 3 301.478 3.468 20 10 DGCDHO CC[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000817987218 627984622 /nfs/dbraw/zinc/98/46/22/627984622.db2.gz YHZSZBASKUJOGD-SJLPKXTDSA-N 1 3 301.478 3.468 20 10 DGCDHO CN(C)c1ccc(/C=C\C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000835055198 629838617 /nfs/dbraw/zinc/83/86/17/629838617.db2.gz WTVSNQAUBDQFMH-SREVYHEPSA-N 1 3 313.489 3.372 20 10 DGCDHO COc1cc(Cl)cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1[O-] ZINC000841028924 630398519 /nfs/dbraw/zinc/39/85/19/630398519.db2.gz IHZAQFPGPXNCFO-NSHDSACASA-N 1 3 320.820 3.364 20 10 DGCDHO CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CCNCC1 ZINC000843044168 630607487 /nfs/dbraw/zinc/60/74/87/630607487.db2.gz GAKAYBKVSLVABR-WAYWQWQTSA-N 1 3 301.478 3.230 20 10 DGCDHO CCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CCNCC1 ZINC000843044168 630607488 /nfs/dbraw/zinc/60/74/88/630607488.db2.gz GAKAYBKVSLVABR-WAYWQWQTSA-N 1 3 301.478 3.230 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843043927 630607845 /nfs/dbraw/zinc/60/78/45/630607845.db2.gz DCBWPCBMTLGFBX-MJGOQNOKSA-N 1 3 301.478 3.025 20 10 DGCDHO Cc1cc(Cl)cc(CNCc2ccc(C[NH3+])cc2F)c1O ZINC000844904734 630973274 /nfs/dbraw/zinc/97/32/74/630973274.db2.gz PDLFYYGXMYLFCG-UHFFFAOYSA-N 1 3 308.784 3.242 20 10 DGCDHO Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c([O-])c1 ZINC000850585388 632203045 /nfs/dbraw/zinc/20/30/45/632203045.db2.gz WRGJKGPRUMNXEM-HNNXBMFYSA-N 1 3 302.462 3.473 20 10 DGCDHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453810 655636245 /nfs/dbraw/zinc/63/62/45/655636245.db2.gz JUGXUYLLKPDOGL-MJGOQNOKSA-N 1 3 314.473 3.187 20 10 DGCDHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453810 655636247 /nfs/dbraw/zinc/63/62/47/655636247.db2.gz JUGXUYLLKPDOGL-MJGOQNOKSA-N 1 3 314.473 3.187 20 10 DGCDHO COc1ccc(O)c(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001659420802 1196381397 /nfs/dbraw/zinc/38/13/97/1196381397.db2.gz PWPGXIOAUWZQCG-GJZGRUSLSA-N 1 3 318.461 3.143 20 10 DGCDHO COc1ccc(O)c(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001659420802 1196381402 /nfs/dbraw/zinc/38/14/02/1196381402.db2.gz PWPGXIOAUWZQCG-GJZGRUSLSA-N 1 3 318.461 3.143 20 10 DGCDHO CN(C)c1ccc(C[NH+]2CCC3(CN(C)C3)CC2)c2ccccc21 ZINC001204239933 1090931372 /nfs/dbraw/zinc/93/13/72/1090931372.db2.gz FSGWTSKQVVTQBM-UHFFFAOYSA-N 1 3 323.484 3.433 20 10 DGCDHO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@@H]1C[NH3+] ZINC001206026841 1091457696 /nfs/dbraw/zinc/45/76/96/1091457696.db2.gz UIDLYTIBRZSFHV-VXGBXAGGSA-N 1 3 316.367 3.218 20 10 DGCDHO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@@H]1C[NH3+] ZINC001206026841 1091457701 /nfs/dbraw/zinc/45/77/01/1091457701.db2.gz UIDLYTIBRZSFHV-VXGBXAGGSA-N 1 3 316.367 3.218 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C(C)C)cc2)CC1 ZINC001140306266 1091820917 /nfs/dbraw/zinc/82/09/17/1091820917.db2.gz QZXDNAXUMQHEQC-HXUWFJFHSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(C)C)cc2)CC1 ZINC001140306266 1091820923 /nfs/dbraw/zinc/82/09/23/1091820923.db2.gz QZXDNAXUMQHEQC-HXUWFJFHSA-N 1 3 315.505 3.449 20 10 DGCDHO C[N@@H+]1CC[C@]2(CCN(Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111880 1092616116 /nfs/dbraw/zinc/61/61/16/1092616116.db2.gz HJIWCTRVPLPZIC-IBGZPJMESA-N 1 3 302.462 3.217 20 10 DGCDHO C[N@H+]1CC[C@]2(CCN(Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111880 1092616123 /nfs/dbraw/zinc/61/61/23/1092616123.db2.gz HJIWCTRVPLPZIC-IBGZPJMESA-N 1 3 302.462 3.217 20 10 DGCDHO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CNCC[C@H]32)c2ccccc21 ZINC001222620265 1095695028 /nfs/dbraw/zinc/69/50/28/1095695028.db2.gz JZUXGXPOOUBCQV-HNAYVOBHSA-N 1 3 309.457 3.090 20 10 DGCDHO CN(C)c1ccc(C[N@H+]2CC[C@H]3CNCC[C@H]32)c2ccccc21 ZINC001222620265 1095695035 /nfs/dbraw/zinc/69/50/35/1095695035.db2.gz JZUXGXPOOUBCQV-HNAYVOBHSA-N 1 3 309.457 3.090 20 10 DGCDHO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286997 1098276364 /nfs/dbraw/zinc/27/63/64/1098276364.db2.gz RKGRSZFAVUMGSZ-VQIMIIECSA-N 1 3 302.462 3.073 20 10 DGCDHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286997 1098276370 /nfs/dbraw/zinc/27/63/70/1098276370.db2.gz RKGRSZFAVUMGSZ-VQIMIIECSA-N 1 3 302.462 3.073 20 10 DGCDHO CCC[N@@H+](Cc1ccc(N(CC)CC)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236834887 1099821703 /nfs/dbraw/zinc/82/17/03/1099821703.db2.gz JJESCNFCOHPFDM-INIZCTEOSA-N 1 3 319.493 3.060 20 10 DGCDHO CCC[N@H+](Cc1ccc(N(CC)CC)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236834887 1099821707 /nfs/dbraw/zinc/82/17/07/1099821707.db2.gz JJESCNFCOHPFDM-INIZCTEOSA-N 1 3 319.493 3.060 20 10 DGCDHO CCCN(Cc1ccc(N(CC)CC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835376 1099821794 /nfs/dbraw/zinc/82/17/94/1099821794.db2.gz MKADTBBCCGSOCJ-SFHVURJKSA-N 1 3 303.494 3.354 20 10 DGCDHO COc1ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c([O-])c1 ZINC001236949394 1099889249 /nfs/dbraw/zinc/88/92/49/1099889249.db2.gz VHMADBRREUFUPA-UHFFFAOYSA-N 1 3 318.461 3.003 20 10 DGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717060 1108608143 /nfs/dbraw/zinc/60/81/43/1108608143.db2.gz KGKAYNOIMZDCOT-PXNSSMCTSA-N 1 3 315.505 3.449 20 10 DGCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717060 1108608144 /nfs/dbraw/zinc/60/81/44/1108608144.db2.gz KGKAYNOIMZDCOT-PXNSSMCTSA-N 1 3 315.505 3.449 20 10 DGCDHO C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273540851 130134015 /nfs/dbraw/zinc/13/40/15/130134015.db2.gz YEEQBFZEOOFPII-AWEZNQCLSA-N 1 3 300.446 3.184 20 10 DGCDHO C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273540851 130134018 /nfs/dbraw/zinc/13/40/18/130134018.db2.gz YEEQBFZEOOFPII-AWEZNQCLSA-N 1 3 300.446 3.184 20 10 DGCDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000177974491 228336101 /nfs/dbraw/zinc/33/61/01/228336101.db2.gz JPAVXLSUMFIYAD-JTDSTZFVSA-N 1 3 301.478 3.105 20 10 DGCDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000177974491 228336103 /nfs/dbraw/zinc/33/61/03/228336103.db2.gz JPAVXLSUMFIYAD-JTDSTZFVSA-N 1 3 301.478 3.105 20 10 DGCDHO C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000183428135 432292903 /nfs/dbraw/zinc/29/29/03/432292903.db2.gz XJEJRAHCZRJRKO-OAHLLOKOSA-N 1 3 314.429 3.183 20 10 DGCDHO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H](N)c4ccccc43)C2)cc1 ZINC000854217186 620785105 /nfs/dbraw/zinc/78/51/05/620785105.db2.gz KKDCPIPQSGMKDN-GKCIPKSASA-N 1 3 323.440 3.008 20 10 DGCDHO C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[O-] ZINC000902500675 619643885 /nfs/dbraw/zinc/64/38/85/619643885.db2.gz GRWDYFUUZNVUPR-VHFSOBRXSA-N 1 3 324.424 3.299 20 10 DGCDHO CCCC[N@H+](C)CC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768304493 622449265 /nfs/dbraw/zinc/44/92/65/622449265.db2.gz YOXUWMILMHYHQR-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO CCCC[N@@H+](C)CC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768304493 622449267 /nfs/dbraw/zinc/44/92/67/622449267.db2.gz YOXUWMILMHYHQR-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000768546297 622463816 /nfs/dbraw/zinc/46/38/16/622463816.db2.gz IIHHNFLCIZKFQL-IBGZPJMESA-N 1 3 315.505 3.451 20 10 DGCDHO CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000768546297 622463818 /nfs/dbraw/zinc/46/38/18/622463818.db2.gz IIHHNFLCIZKFQL-IBGZPJMESA-N 1 3 315.505 3.451 20 10 DGCDHO CC1(C)C[NH2+]CC[C@@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC000872251242 622867337 /nfs/dbraw/zinc/86/73/37/622867337.db2.gz ISEKJOOIPHQTIF-QGZVFWFLSA-N 1 3 301.478 3.155 20 10 DGCDHO CCN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000773766314 623070997 /nfs/dbraw/zinc/07/09/97/623070997.db2.gz RPJPIWSXUTVAEO-PKOBYXMFSA-N 1 3 301.478 3.059 20 10 DGCDHO CCN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000773766314 623070999 /nfs/dbraw/zinc/07/09/99/623070999.db2.gz RPJPIWSXUTVAEO-PKOBYXMFSA-N 1 3 301.478 3.059 20 10 DGCDHO C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000873236235 623086880 /nfs/dbraw/zinc/08/68/80/623086880.db2.gz ZLPYQHQCUPWAQV-BBRMVZONSA-N 1 3 302.393 3.142 20 10 DGCDHO CSC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC[NH+](C)CC1 ZINC000810252051 626992252 /nfs/dbraw/zinc/99/22/52/626992252.db2.gz HBALBVOBXKTMCY-LBPRGKRZSA-N 1 3 312.454 3.009 20 10 DGCDHO Cc1cc(C[N@H+](C)CC[C@H]2CCCCN2C)ccc1N(C)C ZINC000815054066 627619875 /nfs/dbraw/zinc/61/98/75/627619875.db2.gz FXDHSKIVYHPQKP-GOSISDBHSA-N 1 3 303.494 3.367 20 10 DGCDHO Cc1cc(C[N@@H+](C)CC[C@H]2CCCCN2C)ccc1N(C)C ZINC000815054066 627619877 /nfs/dbraw/zinc/61/98/77/627619877.db2.gz FXDHSKIVYHPQKP-GOSISDBHSA-N 1 3 303.494 3.367 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2c1c(F)ccc2[O-] ZINC000925846006 627805231 /nfs/dbraw/zinc/80/52/31/627805231.db2.gz MXUXDABOVUUCQB-VBVJRUAFSA-N 1 3 304.409 3.201 20 10 DGCDHO CN(C)c1ccc(/C=C\CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000835041280 629832114 /nfs/dbraw/zinc/83/21/14/629832114.db2.gz AARVGOLTIBHCBW-LOTUCHTNSA-N 1 3 313.489 3.371 20 10 DGCDHO CN(C)c1ccc(/C=C\CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000835041280 629832119 /nfs/dbraw/zinc/83/21/19/629832119.db2.gz AARVGOLTIBHCBW-LOTUCHTNSA-N 1 3 313.489 3.371 20 10 DGCDHO CCOc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c([O-])c1 ZINC000841087838 630406642 /nfs/dbraw/zinc/40/66/42/630406642.db2.gz VTHGNVLWEUUAQX-GOSISDBHSA-N 1 3 314.429 3.361 20 10 DGCDHO C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000841100274 630407886 /nfs/dbraw/zinc/40/78/86/630407886.db2.gz AQYPQJARHGPTTP-SJLPKXTDSA-N 1 3 301.478 3.094 20 10 DGCDHO CCc1cccc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000848900137 631778274 /nfs/dbraw/zinc/77/82/74/631778274.db2.gz YALULSJFLXEKCA-MRXNPFEDSA-N 1 3 304.478 3.412 20 10 DGCDHO CCc1cccc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000848900137 631778279 /nfs/dbraw/zinc/77/82/79/631778279.db2.gz YALULSJFLXEKCA-MRXNPFEDSA-N 1 3 304.478 3.412 20 10 DGCDHO CCc1cccc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000848900135 631778845 /nfs/dbraw/zinc/77/88/45/631778845.db2.gz YALULSJFLXEKCA-INIZCTEOSA-N 1 3 304.478 3.412 20 10 DGCDHO CCc1cccc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000848900135 631778850 /nfs/dbraw/zinc/77/88/50/631778850.db2.gz YALULSJFLXEKCA-INIZCTEOSA-N 1 3 304.478 3.412 20 10 DGCDHO COc1cc(C)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c([O-])c1 ZINC001621169892 1193812336 /nfs/dbraw/zinc/81/23/36/1193812336.db2.gz XDLADPYJBRSHHO-UHFFFAOYSA-N 1 3 320.477 3.261 20 10 DGCDHO COc1cc(C)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c([O-])c1 ZINC001621169892 1193812339 /nfs/dbraw/zinc/81/23/39/1193812339.db2.gz XDLADPYJBRSHHO-UHFFFAOYSA-N 1 3 320.477 3.261 20 10 DGCDHO COc1ccc(O)c(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001659420801 1196381745 /nfs/dbraw/zinc/38/17/45/1196381745.db2.gz PWPGXIOAUWZQCG-CABCVRRESA-N 1 3 318.461 3.143 20 10 DGCDHO COc1ccc(O)c(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001659420801 1196381748 /nfs/dbraw/zinc/38/17/48/1196381748.db2.gz PWPGXIOAUWZQCG-CABCVRRESA-N 1 3 318.461 3.143 20 10 DGCDHO Nc1cccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155630225 1089192797 /nfs/dbraw/zinc/19/27/97/1089192797.db2.gz UEPOIBWBWZYDBE-TVKQPGBESA-N 1 3 324.472 3.063 20 10 DGCDHO Nc1cccc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155630225 1089192817 /nfs/dbraw/zinc/19/28/17/1089192817.db2.gz UEPOIBWBWZYDBE-TVKQPGBESA-N 1 3 324.472 3.063 20 10 DGCDHO [NH3+]CC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001205053065 1091091744 /nfs/dbraw/zinc/09/17/44/1091091744.db2.gz IQLGKOSVFTZYEO-UHFFFAOYSA-N 1 3 314.404 3.369 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)C[C@H]3C)cc2)CC1 ZINC001140303830 1091820329 /nfs/dbraw/zinc/82/03/29/1091820329.db2.gz BKPBKGOCKRYNQJ-QZTJIDSGSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C)C[C@H]3C)cc2)CC1 ZINC001140303830 1091820334 /nfs/dbraw/zinc/82/03/34/1091820334.db2.gz BKPBKGOCKRYNQJ-QZTJIDSGSA-N 1 3 315.505 3.449 20 10 DGCDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC001169094972 1092523846 /nfs/dbraw/zinc/52/38/46/1092523846.db2.gz ODDDIWSGPRRXCG-VJDPLVQDSA-N 1 3 313.489 3.392 20 10 DGCDHO CN(Cc1ccc(N2CCCC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001116437345 1095550509 /nfs/dbraw/zinc/55/05/09/1095550509.db2.gz ZRKHXRMDJBAXID-SFHVURJKSA-N 1 3 301.478 3.060 20 10 DGCDHO CN(Cc1ccc(N2CCCC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001116437345 1095550518 /nfs/dbraw/zinc/55/05/18/1095550518.db2.gz ZRKHXRMDJBAXID-SFHVURJKSA-N 1 3 301.478 3.060 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001118016084 1095922711 /nfs/dbraw/zinc/92/27/11/1095922711.db2.gz TURIBAFLHHTUCO-QUCCMNQESA-N 1 3 313.489 3.251 20 10 DGCDHO CN1CC2(C1)CC[NH+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233287184 1098276928 /nfs/dbraw/zinc/27/69/28/1098276928.db2.gz ZYEBZQLBZJZJJF-UHFFFAOYSA-N 1 3 302.462 3.217 20 10 DGCDHO Cc1cc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1N(C)C ZINC001235044810 1098772470 /nfs/dbraw/zinc/77/24/70/1098772470.db2.gz KVVLLEIYCUYNKA-IBGZPJMESA-N 1 3 301.478 3.169 20 10 DGCDHO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC23CCNCC3)c1 ZINC001235143882 1098832945 /nfs/dbraw/zinc/83/29/45/1098832945.db2.gz FZUDUHCCJKXOND-UHFFFAOYSA-N 1 3 302.462 3.408 20 10 DGCDHO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC23CCNCC3)c1 ZINC001235143882 1098832953 /nfs/dbraw/zinc/83/29/53/1098832953.db2.gz FZUDUHCCJKXOND-UHFFFAOYSA-N 1 3 302.462 3.408 20 10 DGCDHO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235153113 1098840299 /nfs/dbraw/zinc/84/02/99/1098840299.db2.gz DVBSPVMZNQUAPV-GOSISDBHSA-N 1 3 302.462 3.309 20 10 DGCDHO CCc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235153113 1098840303 /nfs/dbraw/zinc/84/03/03/1098840303.db2.gz DVBSPVMZNQUAPV-GOSISDBHSA-N 1 3 302.462 3.309 20 10 DGCDHO Cc1ccc(CN2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC001235379229 1098988287 /nfs/dbraw/zinc/98/82/87/1098988287.db2.gz BSUCNAYEAHHRGZ-CTNGQTDRSA-N 1 3 322.452 3.280 20 10 DGCDHO CN(Cc1ccc(N(C)C)c2ccccc12)C[C@@H]1CCC[NH2+]C1 ZINC001235950401 1099282933 /nfs/dbraw/zinc/28/29/33/1099282933.db2.gz DWLYMMOFTUQHRS-MRXNPFEDSA-N 1 3 311.473 3.337 20 10 DGCDHO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@H]1N ZINC001236219701 1099478592 /nfs/dbraw/zinc/47/85/92/1099478592.db2.gz XMXDJTIPSNXEIQ-MOPGFXCFSA-N 1 3 313.489 3.087 20 10 DGCDHO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@H]1N ZINC001236219701 1099478600 /nfs/dbraw/zinc/47/86/00/1099478600.db2.gz XMXDJTIPSNXEIQ-MOPGFXCFSA-N 1 3 313.489 3.087 20 10 DGCDHO COc1cc(C)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c([O-])c1 ZINC001236820288 1099805703 /nfs/dbraw/zinc/80/57/03/1099805703.db2.gz KJPILXXJVMYIAI-UHFFFAOYSA-N 1 3 318.461 3.017 20 10 DGCDHO CCC[N@@H+](Cc1ccc(N(CC)CC)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236834888 1099821441 /nfs/dbraw/zinc/82/14/41/1099821441.db2.gz JJESCNFCOHPFDM-MRXNPFEDSA-N 1 3 319.493 3.060 20 10 DGCDHO CCC[N@H+](Cc1ccc(N(CC)CC)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236834888 1099821453 /nfs/dbraw/zinc/82/14/53/1099821453.db2.gz JJESCNFCOHPFDM-MRXNPFEDSA-N 1 3 319.493 3.060 20 10 DGCDHO [O-]c1ccc(F)cc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962032 1099891945 /nfs/dbraw/zinc/89/19/45/1099891945.db2.gz SDBJIBTVALCJAB-UHFFFAOYSA-N 1 3 306.425 3.133 20 10 DGCDHO CCOc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001237041045 1099939104 /nfs/dbraw/zinc/93/91/04/1099939104.db2.gz BAEXQNBVRQHMKP-UHFFFAOYSA-N 1 3 320.477 3.343 20 10 DGCDHO CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001237041045 1099939111 /nfs/dbraw/zinc/93/91/11/1099939111.db2.gz BAEXQNBVRQHMKP-UHFFFAOYSA-N 1 3 320.477 3.343 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc21 ZINC001237384422 1100102805 /nfs/dbraw/zinc/10/28/05/1100102805.db2.gz WRJGEBHPUWNRHG-PXNSSMCTSA-N 1 3 323.484 3.480 20 10 DGCDHO CCCN1CCC([NH2+]Cc2ccc(OC)c(COCC)c2)CC1 ZINC001199021215 1102042824 /nfs/dbraw/zinc/04/28/24/1102042824.db2.gz DOCLRUPGRZKUEM-UHFFFAOYSA-N 1 3 320.477 3.196 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC001308569777 1111445706 /nfs/dbraw/zinc/44/57/06/1111445706.db2.gz IWOJJBHKNMLHHI-FUHWJXTLSA-N 1 3 302.462 3.432 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC001308569777 1111445708 /nfs/dbraw/zinc/44/57/08/1111445708.db2.gz IWOJJBHKNMLHHI-FUHWJXTLSA-N 1 3 302.462 3.432 20 10 DGCDHO C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000185207143 299290228 /nfs/dbraw/zinc/29/02/28/299290228.db2.gz DFKKSPCJDHUVNU-KFWWJZLASA-N 1 3 324.440 3.071 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423085839 237822847 /nfs/dbraw/zinc/82/28/47/237822847.db2.gz LOUACBYTVMNRKL-FGTMMUONSA-N 1 3 311.473 3.497 20 10 DGCDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125463477 431926544 /nfs/dbraw/zinc/92/65/44/431926544.db2.gz RSNBYTLEIBIGOF-SFHVURJKSA-N 1 3 301.478 3.060 20 10 DGCDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125463477 431926545 /nfs/dbraw/zinc/92/65/45/431926545.db2.gz RSNBYTLEIBIGOF-SFHVURJKSA-N 1 3 301.478 3.060 20 10 DGCDHO C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1[O-] ZINC000183428197 432292931 /nfs/dbraw/zinc/29/29/31/432292931.db2.gz JEXOARGVIMXXMW-HNNXBMFYSA-N 1 3 314.429 3.183 20 10 DGCDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185059834 432462811 /nfs/dbraw/zinc/46/28/11/432462811.db2.gz GWDWINPSXOSFOZ-LSDHHAIUSA-N 1 3 302.462 3.263 20 10 DGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])c1[O-] ZINC000817977870 620897612 /nfs/dbraw/zinc/89/76/12/620897612.db2.gz QWDZLAWUDXIJAQ-GHMZBOCLSA-N 1 3 315.255 3.241 20 10 DGCDHO [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000902485471 619645813 /nfs/dbraw/zinc/64/58/13/619645813.db2.gz KXSJGXPNFIDHCY-LNLFQRSKSA-N 1 3 310.441 3.393 20 10 DGCDHO [NH3+]C[C@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000902485472 619645957 /nfs/dbraw/zinc/64/59/57/619645957.db2.gz KXSJGXPNFIDHCY-ZHALLVOQSA-N 1 3 310.441 3.393 20 10 DGCDHO CN(C)c1ccc(C[N@H+](CC[C@H]2CCCN2C)C2CC2)cc1 ZINC000759846395 621895714 /nfs/dbraw/zinc/89/57/14/621895714.db2.gz UCUMPRZESRGLQU-GOSISDBHSA-N 1 3 301.478 3.201 20 10 DGCDHO CN(C)c1ccc(C[N@@H+](CC[C@H]2CCCN2C)C2CC2)cc1 ZINC000759846395 621895716 /nfs/dbraw/zinc/89/57/16/621895716.db2.gz UCUMPRZESRGLQU-GOSISDBHSA-N 1 3 301.478 3.201 20 10 DGCDHO COc1cccc([O-])c1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865716614 621982248 /nfs/dbraw/zinc/98/22/48/621982248.db2.gz BGJZZLGUHRCZFY-UHFFFAOYSA-N 1 3 306.450 3.001 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([O-])c1 ZINC000768304133 622449699 /nfs/dbraw/zinc/44/96/99/622449699.db2.gz SMJGFZSNZHQQSE-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO COc1cccc(O)c1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739122 626944052 /nfs/dbraw/zinc/94/40/52/626944052.db2.gz YCVZXYQEINPFDC-UHFFFAOYSA-N 1 3 314.429 3.094 20 10 DGCDHO CSC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC[NH+](C)CC1 ZINC000810252144 626992276 /nfs/dbraw/zinc/99/22/76/626992276.db2.gz KBHSDMWRGQLEHL-AWEZNQCLSA-N 1 3 308.491 3.179 20 10 DGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057648 627620704 /nfs/dbraw/zinc/62/07/04/627620704.db2.gz WHZDQAACGPYWBQ-SJLPKXTDSA-N 1 3 303.494 3.366 20 10 DGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057648 627620705 /nfs/dbraw/zinc/62/07/05/627620705.db2.gz WHZDQAACGPYWBQ-SJLPKXTDSA-N 1 3 303.494 3.366 20 10 DGCDHO CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccc1[O-] ZINC000925886915 627812492 /nfs/dbraw/zinc/81/24/92/627812492.db2.gz MYZPQHYAZANMTR-XKGZKEIXSA-N 1 3 310.441 3.492 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817894299 627954210 /nfs/dbraw/zinc/95/42/10/627954210.db2.gz LEIRYSHWIKUNEA-IPMKNSEASA-N 1 3 301.478 3.071 20 10 DGCDHO CN(C)c1ccc(/C=C/C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000835055199 629838601 /nfs/dbraw/zinc/83/86/01/629838601.db2.gz WTVSNQAUBDQFMH-VOTSOKGWSA-N 1 3 313.489 3.372 20 10 DGCDHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc(N)cc3)CC2)C1 ZINC000841034703 630399915 /nfs/dbraw/zinc/39/99/15/630399915.db2.gz JSPJGNAWCJJUHM-OXJNMPFZSA-N 1 3 315.505 3.444 20 10 DGCDHO CC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1[NH3+] ZINC000843053694 630609057 /nfs/dbraw/zinc/60/90/57/630609057.db2.gz RERHFNABBUBCHQ-HKUYNNGSSA-N 1 3 301.478 3.236 20 10 DGCDHO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000843056453 630609454 /nfs/dbraw/zinc/60/94/54/630609454.db2.gz KKWZEALIKIJVSM-IBGZPJMESA-N 1 3 303.494 3.482 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843125245 630616616 /nfs/dbraw/zinc/61/66/16/630616616.db2.gz OXOOBJMCVOLCEY-ZIAGYGMSSA-N 1 3 308.853 3.176 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843125245 630616617 /nfs/dbraw/zinc/61/66/17/630616617.db2.gz OXOOBJMCVOLCEY-ZIAGYGMSSA-N 1 3 308.853 3.176 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2c1c(F)ccc2[O-] ZINC000843344079 630648345 /nfs/dbraw/zinc/64/83/45/630648345.db2.gz PPXZWBMDYRJPLI-ABAIWWIYSA-N 1 3 300.377 3.328 20 10 DGCDHO COc1cc(C[NH2+]CCCN2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850014048 632028400 /nfs/dbraw/zinc/02/84/00/632028400.db2.gz SHEICCHRDIXTEO-UHFFFAOYSA-N 1 3 320.477 3.274 20 10 DGCDHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453690 655636114 /nfs/dbraw/zinc/63/61/14/655636114.db2.gz JUGXUYLLKPDOGL-IEBWSBKVSA-N 1 3 314.473 3.187 20 10 DGCDHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453690 655636117 /nfs/dbraw/zinc/63/61/17/655636117.db2.gz JUGXUYLLKPDOGL-IEBWSBKVSA-N 1 3 314.473 3.187 20 10 DGCDHO COc1cc(CNC[C@@]2(C)CCC[NH2+]C2)c(O)c(C(C)(C)C)c1 ZINC001579152730 1191967815 /nfs/dbraw/zinc/96/78/15/1191967815.db2.gz FCHARAFHHQQUSC-IBGZPJMESA-N 1 3 320.477 3.178 20 10 DGCDHO CN(C)CC1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCCC1 ZINC001474106273 1183869144 /nfs/dbraw/zinc/86/91/44/1183869144.db2.gz HYOWEBQEFPMYCH-BQYQJAHWSA-N 1 3 315.505 3.477 20 10 DGCDHO c1cc(N2CCCCC2)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000073381095 1196156021 /nfs/dbraw/zinc/15/60/21/1196156021.db2.gz BTSCRKJNFFTXCN-UHFFFAOYSA-N 1 3 313.489 3.393 20 10 DGCDHO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC000314945586 1199797515 /nfs/dbraw/zinc/79/75/15/1199797515.db2.gz RPPZQLDYTMVFFG-GOSISDBHSA-N 1 3 301.478 3.107 20 10 DGCDHO CC(C)[N@H+]1CC[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC000314945586 1199797517 /nfs/dbraw/zinc/79/75/17/1199797517.db2.gz RPPZQLDYTMVFFG-GOSISDBHSA-N 1 3 301.478 3.107 20 10 DGCDHO c1cc(N2CCCC2)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168353824 1087305924 /nfs/dbraw/zinc/30/59/24/1087305924.db2.gz VYRMRVGMOFZKOC-UHFFFAOYSA-N 1 3 313.489 3.251 20 10 DGCDHO Oc1ccccc1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001203558417 1090613548 /nfs/dbraw/zinc/61/35/48/1090613548.db2.gz HPTLVTVJBJNIOQ-UHFFFAOYSA-N 1 3 322.452 3.490 20 10 DGCDHO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@H]1C[NH3+] ZINC001206026840 1091457848 /nfs/dbraw/zinc/45/78/48/1091457848.db2.gz UIDLYTIBRZSFHV-RYUDHWBXSA-N 1 3 316.367 3.218 20 10 DGCDHO C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@H]1C[NH3+] ZINC001206026840 1091457852 /nfs/dbraw/zinc/45/78/52/1091457852.db2.gz UIDLYTIBRZSFHV-RYUDHWBXSA-N 1 3 316.367 3.218 20 10 DGCDHO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139255248 1091501583 /nfs/dbraw/zinc/50/15/83/1091501583.db2.gz OMRLRZZXBLQKBE-HUUCEWRRSA-N 1 3 320.477 3.330 20 10 DGCDHO COc1cc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139255248 1091501587 /nfs/dbraw/zinc/50/15/87/1091501587.db2.gz OMRLRZZXBLQKBE-HUUCEWRRSA-N 1 3 320.477 3.330 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)CC3CCC3)cc2)CC1 ZINC001140303810 1091819668 /nfs/dbraw/zinc/81/96/68/1091819668.db2.gz BESUIXJLMFNWDU-UHFFFAOYSA-N 1 3 301.478 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)CC3CCC3)cc2)CC1 ZINC001140303810 1091819675 /nfs/dbraw/zinc/81/96/75/1091819675.db2.gz BESUIXJLMFNWDU-UHFFFAOYSA-N 1 3 301.478 3.060 20 10 DGCDHO Cc1c(O)ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c1O ZINC001140748857 1091984873 /nfs/dbraw/zinc/98/48/73/1091984873.db2.gz MSFLRXOEEYSGSH-DLBZAZTESA-N 1 3 318.461 3.245 20 10 DGCDHO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c1O ZINC001140748857 1091984883 /nfs/dbraw/zinc/98/48/83/1091984883.db2.gz MSFLRXOEEYSGSH-DLBZAZTESA-N 1 3 318.461 3.245 20 10 DGCDHO CC(C)c1ccc(CN2CCC[C@@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001222277396 1095526365 /nfs/dbraw/zinc/52/63/65/1095526365.db2.gz NJKOPPCVYHZMKI-LJQANCHMSA-N 1 3 302.462 3.481 20 10 DGCDHO CCc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c(O)c1 ZINC001222610270 1095692513 /nfs/dbraw/zinc/69/25/13/1095692513.db2.gz WOWDOMGBGOGHIU-IBGZPJMESA-N 1 3 322.452 3.144 20 10 DGCDHO CCc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c(O)c1 ZINC001222610270 1095692517 /nfs/dbraw/zinc/69/25/17/1095692517.db2.gz WOWDOMGBGOGHIU-IBGZPJMESA-N 1 3 322.452 3.144 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001118016085 1095923024 /nfs/dbraw/zinc/92/30/24/1095923024.db2.gz TURIBAFLHHTUCO-UYAOXDASSA-N 1 3 313.489 3.251 20 10 DGCDHO CN(C)c1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC001177823774 1098607968 /nfs/dbraw/zinc/60/79/68/1098607968.db2.gz ZNYQZLLPNFPXHR-QGZVFWFLSA-N 1 3 309.473 3.348 20 10 DGCDHO Cc1cc(F)cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235153126 1098840466 /nfs/dbraw/zinc/84/04/66/1098840466.db2.gz FCOAVAIQAUAEFX-KRWDZBQOSA-N 1 3 306.425 3.194 20 10 DGCDHO Cc1cc(F)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235153126 1098840469 /nfs/dbraw/zinc/84/04/69/1098840469.db2.gz FCOAVAIQAUAEFX-KRWDZBQOSA-N 1 3 306.425 3.194 20 10 DGCDHO CCc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC001235423901 1099016308 /nfs/dbraw/zinc/01/63/08/1099016308.db2.gz GYGDGBMOFCYVLX-SJORKVTESA-N 1 3 302.462 3.166 20 10 DGCDHO CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC001235423901 1099016316 /nfs/dbraw/zinc/01/63/16/1099016316.db2.gz GYGDGBMOFCYVLX-SJORKVTESA-N 1 3 302.462 3.166 20 10 DGCDHO C[NH+](C)CC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235681684 1099123949 /nfs/dbraw/zinc/12/39/49/1099123949.db2.gz CGQWKOZUGRGDLR-UHFFFAOYSA-N 1 3 304.478 3.463 20 10 DGCDHO CCCN(Cc1ccc(N(CC)CC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835375 1099821628 /nfs/dbraw/zinc/82/16/28/1099821628.db2.gz MKADTBBCCGSOCJ-GOSISDBHSA-N 1 3 303.494 3.354 20 10 DGCDHO CCCN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835698 1099822628 /nfs/dbraw/zinc/82/26/28/1099822628.db2.gz OYRIUWRVPVQGMT-LJQANCHMSA-N 1 3 315.505 3.498 20 10 DGCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246523387 1104578069 /nfs/dbraw/zinc/57/80/69/1104578069.db2.gz GXGKQTUPBQBBHR-IYOUNJFTSA-N 1 3 302.462 3.363 20 10 DGCDHO [O-]c1ccc(F)cc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001275912561 1104952487 /nfs/dbraw/zinc/95/24/87/1104952487.db2.gz CAFBNGUBBMCTDC-UHFFFAOYSA-N 1 3 318.436 3.372 20 10 DGCDHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186397 1107355811 /nfs/dbraw/zinc/35/58/11/1107355811.db2.gz FWKYBICKVSEDPM-UYAOXDASSA-N 1 3 313.489 3.203 20 10 DGCDHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186397 1107355826 /nfs/dbraw/zinc/35/58/26/1107355826.db2.gz FWKYBICKVSEDPM-UYAOXDASSA-N 1 3 313.489 3.203 20 10 DGCDHO CC[N@@H+]1CC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000124163264 431884232 /nfs/dbraw/zinc/88/42/32/431884232.db2.gz GZIIOLNVNWKHGR-GOSISDBHSA-N 1 3 301.478 3.108 20 10 DGCDHO CC[N@H+]1CC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000124163264 431884234 /nfs/dbraw/zinc/88/42/34/431884234.db2.gz GZIIOLNVNWKHGR-GOSISDBHSA-N 1 3 301.478 3.108 20 10 DGCDHO CCN1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000124163264 431884236 /nfs/dbraw/zinc/88/42/36/431884236.db2.gz GZIIOLNVNWKHGR-GOSISDBHSA-N 1 3 301.478 3.108 20 10 DGCDHO CCN(C)c1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152401400 432331107 /nfs/dbraw/zinc/33/11/07/432331107.db2.gz OIAZLITVAMVKEV-HOTGVXAUSA-N 1 3 301.478 3.278 20 10 DGCDHO CCN(C)c1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152401400 432331119 /nfs/dbraw/zinc/33/11/19/432331119.db2.gz OIAZLITVAMVKEV-HOTGVXAUSA-N 1 3 301.478 3.278 20 10 DGCDHO CC[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000155412278 432554324 /nfs/dbraw/zinc/55/43/24/432554324.db2.gz NFJQXTGOQOCQQT-JFIYKMOQSA-N 1 3 320.477 3.322 20 10 DGCDHO CCOc1ccc(O)c(CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000769469589 622530665 /nfs/dbraw/zinc/53/06/65/622530665.db2.gz AOIRVRAZZOMTDU-HOCLYGCPSA-N 1 3 306.450 3.096 20 10 DGCDHO CCOc1ccc(O)c(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000769469589 622530666 /nfs/dbraw/zinc/53/06/66/622530666.db2.gz AOIRVRAZZOMTDU-HOCLYGCPSA-N 1 3 306.450 3.096 20 10 DGCDHO CCCOc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1C ZINC000873012212 623016468 /nfs/dbraw/zinc/01/64/68/623016468.db2.gz DHZPPOSNTHMXTK-QGZVFWFLSA-N 1 3 302.462 3.358 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c([O-])c1 ZINC000877684778 623991666 /nfs/dbraw/zinc/99/16/66/623991666.db2.gz XJWSXEBTVAFHNF-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO Cc1cccc([O-])c1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718724 624004223 /nfs/dbraw/zinc/00/42/23/624004223.db2.gz QWURPJQKEDFAAK-UHFFFAOYSA-N 1 3 324.468 3.454 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817894293 627954324 /nfs/dbraw/zinc/95/43/24/627954324.db2.gz LEIRYSHWIKUNEA-GBESFXJTSA-N 1 3 301.478 3.071 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817893605 627954609 /nfs/dbraw/zinc/95/46/09/627954609.db2.gz GHQGAXHROMKICN-HSALFYBXSA-N 1 3 315.505 3.461 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817897836 627955244 /nfs/dbraw/zinc/95/52/44/627955244.db2.gz CCMLFNBVIGKVIZ-VAMGGRTRSA-N 1 3 313.489 3.297 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc21 ZINC000817901767 627956979 /nfs/dbraw/zinc/95/69/79/627956979.db2.gz YHSDSKCOXUXYOW-GBESFXJTSA-N 1 3 313.489 3.079 20 10 DGCDHO CC1CCN(c2ccc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000817902382 627957322 /nfs/dbraw/zinc/95/73/22/627957322.db2.gz PAXUKAJZPJKRNC-FXAWDEMLSA-N 1 3 315.505 3.401 20 10 DGCDHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965479 627977844 /nfs/dbraw/zinc/97/78/44/627977844.db2.gz RKRBWKBORRVFBD-KXBFYZLASA-N 1 3 301.478 3.455 20 10 DGCDHO CN(C)c1ccc(/C=C/CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000835041279 629832347 /nfs/dbraw/zinc/83/23/47/629832347.db2.gz AARVGOLTIBHCBW-GHDGWMACSA-N 1 3 313.489 3.371 20 10 DGCDHO CN(C)c1ccc(/C=C/CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000835041279 629832353 /nfs/dbraw/zinc/83/23/53/629832353.db2.gz AARVGOLTIBHCBW-GHDGWMACSA-N 1 3 313.489 3.371 20 10 DGCDHO COc1cc(Cl)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1[O-] ZINC000835063302 629841595 /nfs/dbraw/zinc/84/15/95/629841595.db2.gz JSRKPSKOEGIDGZ-UHFFFAOYSA-N 1 3 312.841 3.018 20 10 DGCDHO COc1cc(Cl)cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1[O-] ZINC000835063302 629841597 /nfs/dbraw/zinc/84/15/97/629841597.db2.gz JSRKPSKOEGIDGZ-UHFFFAOYSA-N 1 3 312.841 3.018 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000840910386 630376562 /nfs/dbraw/zinc/37/65/62/630376562.db2.gz SAXPBJAOQUHPLU-UHFFFAOYSA-N 1 3 303.494 3.366 20 10 DGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000840918611 630378397 /nfs/dbraw/zinc/37/83/97/630378397.db2.gz WPYZFDVNIPAARU-VQIMIIECSA-N 1 3 303.494 3.366 20 10 DGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000840918611 630378401 /nfs/dbraw/zinc/37/84/01/630378401.db2.gz WPYZFDVNIPAARU-VQIMIIECSA-N 1 3 303.494 3.366 20 10 DGCDHO C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000841033490 630399264 /nfs/dbraw/zinc/39/92/64/630399264.db2.gz OZKZBUTVMAWIDA-WMZOPIPTSA-N 1 3 301.478 3.155 20 10 DGCDHO C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843129971 630617755 /nfs/dbraw/zinc/61/77/55/630617755.db2.gz VUJTWOPRHYYCRJ-LSDHHAIUSA-N 1 3 314.429 3.187 20 10 DGCDHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2c1c(F)ccc2[O-] ZINC000843344081 630648354 /nfs/dbraw/zinc/64/83/54/630648354.db2.gz PPXZWBMDYRJPLI-NHYWBVRUSA-N 1 3 300.377 3.328 20 10 DGCDHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)c2c1c(F)ccc2[O-] ZINC000844923739 630986274 /nfs/dbraw/zinc/98/62/74/630986274.db2.gz JRXYCQUFQDCRJQ-BONVTDFDSA-N 1 3 318.367 3.467 20 10 DGCDHO CN1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547881 662236106 /nfs/dbraw/zinc/23/61/06/662236106.db2.gz WSYMHDFXUPCKEP-IEBWSBKVSA-N 1 3 314.473 3.187 20 10 DGCDHO CN1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547881 662236107 /nfs/dbraw/zinc/23/61/07/662236107.db2.gz WSYMHDFXUPCKEP-IEBWSBKVSA-N 1 3 314.473 3.187 20 10 DGCDHO CCN(C)c1ccc(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1 ZINC001654837236 1195845581 /nfs/dbraw/zinc/84/55/81/1195845581.db2.gz AXQZAZZUWANPMP-KRWDZBQOSA-N 1 3 324.472 3.248 20 10 DGCDHO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001206326869 1091581299 /nfs/dbraw/zinc/58/12/99/1091581299.db2.gz PYFAYILUERRHGB-OAHLLOKOSA-N 1 3 316.367 3.362 20 10 DGCDHO C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001206326869 1091581304 /nfs/dbraw/zinc/58/13/04/1091581304.db2.gz PYFAYILUERRHGB-OAHLLOKOSA-N 1 3 316.367 3.362 20 10 DGCDHO CCc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c([O-])c1 ZINC001206760317 1091726977 /nfs/dbraw/zinc/72/69/77/1091726977.db2.gz CUTJLRPKCYQJIP-UHFFFAOYSA-N 1 3 324.468 3.447 20 10 DGCDHO C[NH2+][C@@]12CC[C@@](NCc3ccc4c(c3)CCCN4C)(C1)CCC2 ZINC001276578601 1092457729 /nfs/dbraw/zinc/45/77/29/1092457729.db2.gz OPMQTWDZCTYJDN-VQTJNVASSA-N 1 3 313.489 3.223 20 10 DGCDHO CN1CC2(C1)CC[NH+](Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143112470 1092616392 /nfs/dbraw/zinc/61/63/92/1092616392.db2.gz RQWIJJXLWDTRQC-UHFFFAOYSA-N 1 3 302.462 3.217 20 10 DGCDHO COc1cccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161567 1095466503 /nfs/dbraw/zinc/46/65/03/1095466503.db2.gz PJNCTYXBTNSWTQ-LJQANCHMSA-N 1 3 318.461 3.147 20 10 DGCDHO Cc1ccc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)c([O-])c1 ZINC001235094135 1098795731 /nfs/dbraw/zinc/79/57/31/1098795731.db2.gz LQPTWHKXIAIKQC-UHFFFAOYSA-N 1 3 322.452 3.338 20 10 DGCDHO C[NH2+]CC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001235680245 1099124203 /nfs/dbraw/zinc/12/42/03/1099124203.db2.gz SHDVMUGPKUXAKC-UHFFFAOYSA-N 1 3 310.441 3.491 20 10 DGCDHO Cc1cc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001235928543 1099265732 /nfs/dbraw/zinc/26/57/32/1099265732.db2.gz AGXYRZQOCFUJAN-HKUYNNGSSA-N 1 3 309.457 3.135 20 10 DGCDHO CCN(CC)c1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236598630 1099695969 /nfs/dbraw/zinc/69/59/69/1099695969.db2.gz LYGTWJVRXQPKEN-SFHVURJKSA-N 1 3 315.505 3.497 20 10 DGCDHO CC(C)c1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)c(O)c1 ZINC001236601617 1099697706 /nfs/dbraw/zinc/69/77/06/1099697706.db2.gz NRAYWXZZDCHRIM-OAHLLOKOSA-N 1 3 302.462 3.480 20 10 DGCDHO CCc1ccc(C[NH+]2CCC(N3CCC(F)CC3)CC2)c(O)c1 ZINC001236795653 1099791777 /nfs/dbraw/zinc/79/17/77/1099791777.db2.gz XULSDWZYMLWERW-UHFFFAOYSA-N 1 3 320.452 3.353 20 10 DGCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246523383 1104578327 /nfs/dbraw/zinc/57/83/27/1104578327.db2.gz GXGKQTUPBQBBHR-DEYYWGMASA-N 1 3 302.462 3.363 20 10 DGCDHO CN(C)c1ccc(CN2CCC3(CC[N@H+](C)C3)CC2)c(Cl)c1 ZINC001276156422 1105033096 /nfs/dbraw/zinc/03/30/96/1105033096.db2.gz SDYGAONAXUTIQX-UHFFFAOYSA-N 1 3 321.896 3.324 20 10 DGCDHO CN(C)c1ccc(CN2CCC3(CC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC001276156422 1105033101 /nfs/dbraw/zinc/03/31/01/1105033101.db2.gz SDYGAONAXUTIQX-UHFFFAOYSA-N 1 3 321.896 3.324 20 10 DGCDHO c1ccc(C[NH+]2CCC(NCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000126975116 227002304 /nfs/dbraw/zinc/00/23/04/227002304.db2.gz MWPNMJZNWWRQHE-UHFFFAOYSA-N 1 3 322.452 3.376 20 10 DGCDHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430539 432331583 /nfs/dbraw/zinc/33/15/83/432331583.db2.gz YDUAXUQRACYFKK-KXBFYZLASA-N 1 3 301.478 3.278 20 10 DGCDHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430539 432331586 /nfs/dbraw/zinc/33/15/86/432331586.db2.gz YDUAXUQRACYFKK-KXBFYZLASA-N 1 3 301.478 3.278 20 10 DGCDHO CCOc1cccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1O ZINC000853093140 620667374 /nfs/dbraw/zinc/66/73/74/620667374.db2.gz DMTUNGDMHHJGOZ-INIZCTEOSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1cccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853093140 620667377 /nfs/dbraw/zinc/66/73/77/620667377.db2.gz DMTUNGDMHHJGOZ-INIZCTEOSA-N 1 3 318.461 3.003 20 10 DGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c1[O-] ZINC000817977873 620897325 /nfs/dbraw/zinc/89/73/25/620897325.db2.gz QWDZLAWUDXIJAQ-WDEREUQCSA-N 1 3 315.255 3.241 20 10 DGCDHO Cc1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923365135 621179054 /nfs/dbraw/zinc/17/90/54/621179054.db2.gz UALFGMBVYOKIOP-HKUYNNGSSA-N 1 3 301.478 3.025 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756639786 621655195 /nfs/dbraw/zinc/65/51/95/621655195.db2.gz FAIHJBLLEOFNCT-UMVBOHGHSA-N 1 3 324.440 3.026 20 10 DGCDHO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(CC(C)C)CC1 ZINC000122659122 622376913 /nfs/dbraw/zinc/37/69/13/622376913.db2.gz ZVVJACCLXZTXER-UHFFFAOYSA-N 1 3 303.494 3.271 20 10 DGCDHO CCN(CC)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000770350970 622623296 /nfs/dbraw/zinc/62/32/96/622623296.db2.gz HJPYXURMEHTWAI-ICSRJNTNSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(CC)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000770350970 622623298 /nfs/dbraw/zinc/62/32/98/622623298.db2.gz HJPYXURMEHTWAI-ICSRJNTNSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000773757061 623069078 /nfs/dbraw/zinc/06/90/78/623069078.db2.gz YIFRJURBCFGZNN-APWZRJJASA-N 1 3 303.494 3.447 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000773757061 623069083 /nfs/dbraw/zinc/06/90/83/623069083.db2.gz YIFRJURBCFGZNN-APWZRJJASA-N 1 3 303.494 3.447 20 10 DGCDHO C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(F)ccc1[O-] ZINC000873234816 623085894 /nfs/dbraw/zinc/08/58/94/623085894.db2.gz FZIUZSDGNFUWQS-GFCCVEGCSA-N 1 3 300.377 3.028 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000809767352 626949114 /nfs/dbraw/zinc/94/91/14/626949114.db2.gz INHYXCFYTYQDRW-ICSRJNTNSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000809767352 626949117 /nfs/dbraw/zinc/94/91/17/626949117.db2.gz INHYXCFYTYQDRW-ICSRJNTNSA-N 1 3 315.505 3.449 20 10 DGCDHO CCOc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c([O-])c1 ZINC000815151409 627638265 /nfs/dbraw/zinc/63/82/65/627638265.db2.gz NYIYSCXMUZQMGW-UHFFFAOYSA-N 1 3 306.450 3.147 20 10 DGCDHO C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000925793429 627796640 /nfs/dbraw/zinc/79/66/40/627796640.db2.gz YQYZXMWTMORQJB-NUJGCVRESA-N 1 3 301.478 3.183 20 10 DGCDHO CC[NH2+]CCCN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000817943424 627969604 /nfs/dbraw/zinc/96/96/04/627969604.db2.gz NDXYFJJXAOJSPN-NSHDSACASA-N 1 3 315.255 3.113 20 10 DGCDHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054454 629838481 /nfs/dbraw/zinc/83/84/81/629838481.db2.gz VTHZOHJBQCIHMV-HVMFBIMJSA-N 1 3 301.478 3.038 20 10 DGCDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054454 629838484 /nfs/dbraw/zinc/83/84/84/629838484.db2.gz VTHZOHJBQCIHMV-HVMFBIMJSA-N 1 3 301.478 3.038 20 10 DGCDHO CCOc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c([O-])c1 ZINC000841029340 630397793 /nfs/dbraw/zinc/39/77/93/630397793.db2.gz PYFRVIUXORGVQG-ZDUSSCGKSA-N 1 3 300.402 3.100 20 10 DGCDHO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc3cnccc32)cc1 ZINC000841046098 630401789 /nfs/dbraw/zinc/40/17/89/630401789.db2.gz WBUCGOCXYRKEGI-HXUWFJFHSA-N 1 3 320.440 3.090 20 10 DGCDHO COc1cc(C[N@@H+]2CC[C@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164392142 658930440 /nfs/dbraw/zinc/93/04/40/658930440.db2.gz LOSPKDPJDFBOEZ-CQSZACIVSA-N 1 3 320.477 3.082 20 10 DGCDHO COc1cc(C[N@H+]2CC[C@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164392142 658930443 /nfs/dbraw/zinc/93/04/43/658930443.db2.gz LOSPKDPJDFBOEZ-CQSZACIVSA-N 1 3 320.477 3.082 20 10 DGCDHO CCN(CC)c1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000092253909 662329067 /nfs/dbraw/zinc/32/90/67/662329067.db2.gz YBYOAUOXGSWUAM-GOSISDBHSA-N 1 3 303.494 3.306 20 10 DGCDHO CCN(CC)c1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253909 662329070 /nfs/dbraw/zinc/32/90/70/662329070.db2.gz YBYOAUOXGSWUAM-GOSISDBHSA-N 1 3 303.494 3.306 20 10 DGCDHO C[C@H]([NH3+])CCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC001579479993 1191977434 /nfs/dbraw/zinc/97/74/34/1191977434.db2.gz DDTLSMKZDBZANM-AWEZNQCLSA-N 1 3 303.475 3.211 20 10 DGCDHO C[N@@H+]1C[C@@H]2CC[C@H](NCc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC001621108432 1193803609 /nfs/dbraw/zinc/80/36/09/1193803609.db2.gz OVMKARWJIQQMTL-IHPCNDPISA-N 1 3 313.489 3.107 20 10 DGCDHO C[N@H+]1C[C@@H]2CC[C@H](NCc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC001621108432 1193803613 /nfs/dbraw/zinc/80/36/13/1193803613.db2.gz OVMKARWJIQQMTL-IHPCNDPISA-N 1 3 313.489 3.107 20 10 DGCDHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC001621108432 1193803616 /nfs/dbraw/zinc/80/36/16/1193803616.db2.gz OVMKARWJIQQMTL-IHPCNDPISA-N 1 3 313.489 3.107 20 10 DGCDHO CCC[N@@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)CC1CC1 ZINC001139253144 1091502648 /nfs/dbraw/zinc/50/26/48/1091502648.db2.gz NJODECWPZBREFH-UHFFFAOYSA-N 1 3 306.450 3.084 20 10 DGCDHO CCC[N@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)CC1CC1 ZINC001139253144 1091502655 /nfs/dbraw/zinc/50/26/55/1091502655.db2.gz NJODECWPZBREFH-UHFFFAOYSA-N 1 3 306.450 3.084 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC001140300449 1091818526 /nfs/dbraw/zinc/81/85/26/1091818526.db2.gz QAJHTTRYOPPHEK-KRWDZBQOSA-N 1 3 301.478 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC001140300449 1091818534 /nfs/dbraw/zinc/81/85/34/1091818534.db2.gz QAJHTTRYOPPHEK-KRWDZBQOSA-N 1 3 301.478 3.060 20 10 DGCDHO CCC(CC)[N@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140306781 1091820189 /nfs/dbraw/zinc/82/01/89/1091820189.db2.gz XWZSDSUBLXPYSW-UHFFFAOYSA-N 1 3 303.494 3.449 20 10 DGCDHO CCC(CC)[N@@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140306781 1091820198 /nfs/dbraw/zinc/82/01/98/1091820198.db2.gz XWZSDSUBLXPYSW-UHFFFAOYSA-N 1 3 303.494 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C(C)C)cc2)CC1 ZINC001140306265 1091820816 /nfs/dbraw/zinc/82/08/16/1091820816.db2.gz QZXDNAXUMQHEQC-FQEVSTJZSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)C)cc2)CC1 ZINC001140306265 1091820821 /nfs/dbraw/zinc/82/08/21/1091820821.db2.gz QZXDNAXUMQHEQC-FQEVSTJZSA-N 1 3 315.505 3.449 20 10 DGCDHO CN(C)c1ccc(CN(C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001140924598 1092065537 /nfs/dbraw/zinc/06/55/37/1092065537.db2.gz RHNCYLWIQXMNLG-UHFFFAOYSA-N 1 3 309.885 3.180 20 10 DGCDHO CN(C)c1ccc(CN2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC001140925082 1092065612 /nfs/dbraw/zinc/06/56/12/1092065612.db2.gz ZFVFORHVNSSOTM-UHFFFAOYSA-N 1 3 309.885 3.180 20 10 DGCDHO CCc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC001235423900 1099016003 /nfs/dbraw/zinc/01/60/03/1099016003.db2.gz GYGDGBMOFCYVLX-IRXDYDNUSA-N 1 3 302.462 3.166 20 10 DGCDHO CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC001235423900 1099016016 /nfs/dbraw/zinc/01/60/16/1099016016.db2.gz GYGDGBMOFCYVLX-IRXDYDNUSA-N 1 3 302.462 3.166 20 10 DGCDHO CN(C)c1ccc(CN(C)CCC2CC[NH2+]CC2)c(Cl)c1 ZINC001235716962 1099144406 /nfs/dbraw/zinc/14/44/06/1099144406.db2.gz PFMXQGJHRIXLQB-UHFFFAOYSA-N 1 3 309.885 3.228 20 10 DGCDHO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235928612 1099265254 /nfs/dbraw/zinc/26/52/54/1099265254.db2.gz BCWLVAGFOVWCQI-OALUTQOASA-N 1 3 309.457 3.135 20 10 DGCDHO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@@H]1N ZINC001236217153 1099474375 /nfs/dbraw/zinc/47/43/75/1099474375.db2.gz NCRZCIZUABCFRG-OALUTQOASA-N 1 3 301.478 3.379 20 10 DGCDHO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@@H]1N ZINC001236217153 1099474379 /nfs/dbraw/zinc/47/43/79/1099474379.db2.gz NCRZCIZUABCFRG-OALUTQOASA-N 1 3 301.478 3.379 20 10 DGCDHO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@@H]1N ZINC001236217154 1099474479 /nfs/dbraw/zinc/47/44/79/1099474479.db2.gz NCRZCIZUABCFRG-RBUKOAKNSA-N 1 3 301.478 3.379 20 10 DGCDHO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@@H]1N ZINC001236217154 1099474483 /nfs/dbraw/zinc/47/44/83/1099474483.db2.gz NCRZCIZUABCFRG-RBUKOAKNSA-N 1 3 301.478 3.379 20 10 DGCDHO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@H]1N ZINC001236217152 1099474598 /nfs/dbraw/zinc/47/45/98/1099474598.db2.gz NCRZCIZUABCFRG-MOPGFXCFSA-N 1 3 301.478 3.379 20 10 DGCDHO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@H]1N ZINC001236217152 1099474602 /nfs/dbraw/zinc/47/46/02/1099474602.db2.gz NCRZCIZUABCFRG-MOPGFXCFSA-N 1 3 301.478 3.379 20 10 DGCDHO Cc1cccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1[O-] ZINC001236374487 1099560740 /nfs/dbraw/zinc/56/07/40/1099560740.db2.gz DBQHAXRYOFRJNB-INIZCTEOSA-N 1 3 302.462 3.445 20 10 DGCDHO Cc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1[O-] ZINC001236374487 1099560750 /nfs/dbraw/zinc/56/07/50/1099560750.db2.gz DBQHAXRYOFRJNB-INIZCTEOSA-N 1 3 302.462 3.445 20 10 DGCDHO c1ccc(C[C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CCN2)cc1 ZINC001246199213 1104433649 /nfs/dbraw/zinc/43/36/49/1104433649.db2.gz KRYLOTLXBVNDDT-PMACEKPBSA-N 1 3 322.452 3.074 20 10 DGCDHO C[N@@H+]1CCC2(C1)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001276078305 1105009451 /nfs/dbraw/zinc/00/94/51/1105009451.db2.gz MXYZFFMSDSWGEF-UHFFFAOYSA-N 1 3 310.441 3.463 20 10 DGCDHO C[N@H+]1CCC2(C1)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC001276078305 1105009459 /nfs/dbraw/zinc/00/94/59/1105009459.db2.gz MXYZFFMSDSWGEF-UHFFFAOYSA-N 1 3 310.441 3.463 20 10 DGCDHO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000272742561 130059930 /nfs/dbraw/zinc/05/99/30/130059930.db2.gz BFSUCUKWTQXJHO-WMZOPIPTSA-N 1 3 315.505 3.495 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000284297115 131067896 /nfs/dbraw/zinc/06/78/96/131067896.db2.gz YKELALAXAUHOJN-JKSUJKDBSA-N 1 3 308.466 3.016 20 10 DGCDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185059855 432461881 /nfs/dbraw/zinc/46/18/81/432461881.db2.gz GWDWINPSXOSFOZ-GJZGRUSLSA-N 1 3 302.462 3.263 20 10 DGCDHO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000194190397 432531458 /nfs/dbraw/zinc/53/14/58/432531458.db2.gz ACCLFSRANQPSLA-HUUCEWRRSA-N 1 3 306.450 3.173 20 10 DGCDHO C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000295828952 434440529 /nfs/dbraw/zinc/44/05/29/434440529.db2.gz DUXTXSUYVVCXKO-NVXWUHKLSA-N 1 3 302.462 3.481 20 10 DGCDHO C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000295828952 434440540 /nfs/dbraw/zinc/44/05/40/434440540.db2.gz DUXTXSUYVVCXKO-NVXWUHKLSA-N 1 3 302.462 3.481 20 10 DGCDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000177974461 546125218 /nfs/dbraw/zinc/12/52/18/546125218.db2.gz JPAVXLSUMFIYAD-GJYPPUQNSA-N 1 3 301.478 3.105 20 10 DGCDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000177974461 546125221 /nfs/dbraw/zinc/12/52/21/546125221.db2.gz JPAVXLSUMFIYAD-GJYPPUQNSA-N 1 3 301.478 3.105 20 10 DGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044002 618698681 /nfs/dbraw/zinc/69/86/81/618698681.db2.gz HPYDSVDCAQGCFT-GDBMZVCRSA-N 1 3 306.450 3.014 20 10 DGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044002 618698683 /nfs/dbraw/zinc/69/86/83/618698683.db2.gz HPYDSVDCAQGCFT-GDBMZVCRSA-N 1 3 306.450 3.014 20 10 DGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044004 618698860 /nfs/dbraw/zinc/69/88/60/618698860.db2.gz HPYDSVDCAQGCFT-HOCLYGCPSA-N 1 3 306.450 3.014 20 10 DGCDHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044004 618698861 /nfs/dbraw/zinc/69/88/61/618698861.db2.gz HPYDSVDCAQGCFT-HOCLYGCPSA-N 1 3 306.450 3.014 20 10 DGCDHO COc1cc(C)cc(C[N@H+](C)CC[C@H]2CCCCN2C)c1O ZINC000894053766 618700496 /nfs/dbraw/zinc/70/04/96/618700496.db2.gz IMSITCGKNMAHTI-MRXNPFEDSA-N 1 3 306.450 3.015 20 10 DGCDHO COc1cc(C)cc(C[N@@H+](C)CC[C@H]2CCCCN2C)c1O ZINC000894053766 618700500 /nfs/dbraw/zinc/70/05/00/618700500.db2.gz IMSITCGKNMAHTI-MRXNPFEDSA-N 1 3 306.450 3.015 20 10 DGCDHO COc1cc(C)cc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000894360490 618772076 /nfs/dbraw/zinc/77/20/76/618772076.db2.gz WVLVBQLDLAKIGU-MRXNPFEDSA-N 1 3 320.477 3.167 20 10 DGCDHO COc1cc(C)cc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000894360490 618772078 /nfs/dbraw/zinc/77/20/78/618772078.db2.gz WVLVBQLDLAKIGU-MRXNPFEDSA-N 1 3 320.477 3.167 20 10 DGCDHO C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[O-] ZINC000902500673 619643992 /nfs/dbraw/zinc/64/39/92/619643992.db2.gz GRWDYFUUZNVUPR-NQYLQCIDSA-N 1 3 324.424 3.299 20 10 DGCDHO CN(C)c1ccc(/C=C/CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000872253979 622868282 /nfs/dbraw/zinc/86/82/82/622868282.db2.gz NZXYKJPCSQKHCU-RTRPANQVSA-N 1 3 301.478 3.134 20 10 DGCDHO CCN(C)c1ccc(C[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000773754642 623068546 /nfs/dbraw/zinc/06/85/46/623068546.db2.gz RGIPRRRYHYQFJJ-GOSISDBHSA-N 1 3 303.494 3.449 20 10 DGCDHO CCN(C)c1ccc(C[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000773754642 623068555 /nfs/dbraw/zinc/06/85/55/623068555.db2.gz RGIPRRRYHYQFJJ-GOSISDBHSA-N 1 3 303.494 3.449 20 10 DGCDHO C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2c1c(F)ccc2[O-] ZINC000925846001 627805297 /nfs/dbraw/zinc/80/52/97/627805297.db2.gz MXUXDABOVUUCQB-KMXJZHQMSA-N 1 3 304.409 3.201 20 10 DGCDHO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c([O-])c1 ZINC000925887100 627812292 /nfs/dbraw/zinc/81/22/92/627812292.db2.gz RMGOEKCZDYAQLH-RIFZZMRRSA-N 1 3 310.441 3.410 20 10 DGCDHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(N2CCCCC2)cc1 ZINC000817969086 627978924 /nfs/dbraw/zinc/97/89/24/627978924.db2.gz QZRWJUPJVPJBPP-FUHWJXTLSA-N 1 3 301.478 3.470 20 10 DGCDHO C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000841078985 630405354 /nfs/dbraw/zinc/40/53/54/630405354.db2.gz GRXFLGCYVJTYDA-OAHLLOKOSA-N 1 3 314.429 3.188 20 10 DGCDHO CCN(CC)c1ccc(CN2CCC(C[NH2+]C)CC2)cc1F ZINC000843049670 630608169 /nfs/dbraw/zinc/60/81/69/630608169.db2.gz QWWWEQVRVMRWPH-UHFFFAOYSA-N 1 3 307.457 3.103 20 10 DGCDHO CC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1[NH3+] ZINC000843053697 630608627 /nfs/dbraw/zinc/60/86/27/630608627.db2.gz RERHFNABBUBCHQ-PKOBYXMFSA-N 1 3 301.478 3.236 20 10 DGCDHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843051923 630608699 /nfs/dbraw/zinc/60/86/99/630608699.db2.gz MWBSZPGJMBJSAD-FUHWJXTLSA-N 1 3 301.478 3.236 20 10 DGCDHO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC000843127917 630616948 /nfs/dbraw/zinc/61/69/48/630616948.db2.gz UPWILJXLWVHZHM-CVEARBPZSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC000843127917 630616950 /nfs/dbraw/zinc/61/69/50/630616950.db2.gz UPWILJXLWVHZHM-CVEARBPZSA-N 1 3 318.461 3.003 20 10 DGCDHO Cc1cc(C)c(O)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000164395038 658930681 /nfs/dbraw/zinc/93/06/81/658930681.db2.gz DSPAFAQJGNULOQ-GOSISDBHSA-N 1 3 302.462 3.459 20 10 DGCDHO CCCCN1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC001461113845 1182769182 /nfs/dbraw/zinc/76/91/82/1182769182.db2.gz LQBWTXITWPAHER-UHFFFAOYSA-N 1 3 302.462 3.366 20 10 DGCDHO CCC[N@@H+]1CC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001560291570 1189306394 /nfs/dbraw/zinc/30/63/94/1189306394.db2.gz WQJSTSOVPWNIBX-SFHVURJKSA-N 1 3 301.478 3.108 20 10 DGCDHO CCC[N@H+]1CC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001560291570 1189306400 /nfs/dbraw/zinc/30/64/00/1189306400.db2.gz WQJSTSOVPWNIBX-SFHVURJKSA-N 1 3 301.478 3.108 20 10 DGCDHO COc1cc(C)c(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c([O-])c1 ZINC001652987051 1195677956 /nfs/dbraw/zinc/67/79/56/1195677956.db2.gz WWXXSFPZHXPSKQ-UHFFFAOYSA-N 1 3 306.450 3.062 20 10 DGCDHO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c1 ZINC001203680186 1090778714 /nfs/dbraw/zinc/77/87/14/1090778714.db2.gz JHQOJEVRYYOQQU-DLBZAZTESA-N 1 3 318.461 3.240 20 10 DGCDHO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c1 ZINC001203680186 1090778719 /nfs/dbraw/zinc/77/87/19/1090778719.db2.gz JHQOJEVRYYOQQU-DLBZAZTESA-N 1 3 318.461 3.240 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206003473 1091446013 /nfs/dbraw/zinc/44/60/13/1091446013.db2.gz IIGJHMLRQWHGEH-JKSUJKDBSA-N 1 3 319.493 3.045 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206003473 1091446023 /nfs/dbraw/zinc/44/60/23/1091446023.db2.gz IIGJHMLRQWHGEH-JKSUJKDBSA-N 1 3 319.493 3.045 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC001140300397 1091818328 /nfs/dbraw/zinc/81/83/28/1091818328.db2.gz OCDVCRYFRWMGRL-UHFFFAOYSA-N 1 3 323.484 3.461 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC001140300397 1091818340 /nfs/dbraw/zinc/81/83/40/1091818340.db2.gz OCDVCRYFRWMGRL-UHFFFAOYSA-N 1 3 323.484 3.461 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3CCC(C)(C)CC3)cc2)CC1 ZINC001140304218 1091821122 /nfs/dbraw/zinc/82/11/22/1091821122.db2.gz JCXPSKNFHGYLNP-UHFFFAOYSA-N 1 3 315.505 3.451 20 10 DGCDHO COc1ccc(O)c(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222162007 1095468797 /nfs/dbraw/zinc/46/87/97/1095468797.db2.gz VXWUJPGMZZQPGA-LJQANCHMSA-N 1 3 318.461 3.147 20 10 DGCDHO Cc1cc(CN2CCC[C@]3(CCC[NH2+]3)CC2)ccc1N(C)C ZINC001235044813 1098771091 /nfs/dbraw/zinc/77/10/91/1098771091.db2.gz KVVLLEIYCUYNKA-LJQANCHMSA-N 1 3 301.478 3.169 20 10 DGCDHO CC(C)(C)c1cccc(C[N@@H+]2CCCC23CCNCC3)c1O ZINC001235144840 1098835794 /nfs/dbraw/zinc/83/57/94/1098835794.db2.gz PYSLPXILUNPXCK-UHFFFAOYSA-N 1 3 302.462 3.408 20 10 DGCDHO CC(C)(C)c1cccc(C[N@H+]2CCCC23CCNCC3)c1O ZINC001235144840 1098835802 /nfs/dbraw/zinc/83/58/02/1098835802.db2.gz PYSLPXILUNPXCK-UHFFFAOYSA-N 1 3 302.462 3.408 20 10 DGCDHO CC(C)(C)c1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c([O-])c1 ZINC001235340592 1098963942 /nfs/dbraw/zinc/96/39/42/1098963942.db2.gz RICPLUSNTZPCQZ-UHFFFAOYSA-N 1 3 302.462 3.121 20 10 DGCDHO C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001235718019 1099144231 /nfs/dbraw/zinc/14/42/31/1099144231.db2.gz SCMZPBJWKZDHFN-UHFFFAOYSA-N 1 3 316.367 3.233 20 10 DGCDHO C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001235718019 1099144236 /nfs/dbraw/zinc/14/42/36/1099144236.db2.gz SCMZPBJWKZDHFN-UHFFFAOYSA-N 1 3 316.367 3.233 20 10 DGCDHO Cc1cc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)ccc1N(C)C ZINC001236599916 1099694907 /nfs/dbraw/zinc/69/49/07/1099694907.db2.gz WZUFZTANJLUHCM-KRWDZBQOSA-N 1 3 301.478 3.025 20 10 DGCDHO [O-]c1cc2ccccc2cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001236841388 1099827447 /nfs/dbraw/zinc/82/74/47/1099827447.db2.gz YRXZGSZIDALUST-UHFFFAOYSA-N 1 3 319.408 3.263 20 10 DGCDHO Cc1cc(F)cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1[O-] ZINC001238062366 1100346055 /nfs/dbraw/zinc/34/60/55/1100346055.db2.gz PGUSXQQVZNXMIE-UHFFFAOYSA-N 1 3 308.441 3.392 20 10 DGCDHO Cc1cc(F)cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1[O-] ZINC001238062366 1100346064 /nfs/dbraw/zinc/34/60/64/1100346064.db2.gz PGUSXQQVZNXMIE-UHFFFAOYSA-N 1 3 308.441 3.392 20 10 DGCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246523389 1104577212 /nfs/dbraw/zinc/57/72/12/1104577212.db2.gz GXGKQTUPBQBBHR-PMUMKWKESA-N 1 3 302.462 3.363 20 10 DGCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246919299 1104737728 /nfs/dbraw/zinc/73/77/28/1104737728.db2.gz GXOOZZWTIBOAMD-DZFIZOCASA-N 1 3 301.478 3.248 20 10 DGCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246919299 1104737732 /nfs/dbraw/zinc/73/77/32/1104737732.db2.gz GXOOZZWTIBOAMD-DZFIZOCASA-N 1 3 301.478 3.248 20 10 DGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246919299 1104737735 /nfs/dbraw/zinc/73/77/35/1104737735.db2.gz GXOOZZWTIBOAMD-DZFIZOCASA-N 1 3 301.478 3.248 20 10 DGCDHO COc1cc(CNCC(C)(C)C[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC001308182432 1111391716 /nfs/dbraw/zinc/39/17/16/1111391716.db2.gz YEAMDKDOQONZET-UHFFFAOYSA-N 1 3 322.493 3.376 20 10 DGCDHO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000272742553 130059734 /nfs/dbraw/zinc/05/97/34/130059734.db2.gz BFSUCUKWTQXJHO-AEFFLSMTSA-N 1 3 315.505 3.495 20 10 DGCDHO C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273540853 130134303 /nfs/dbraw/zinc/13/43/03/130134303.db2.gz YEEQBFZEOOFPII-CQSZACIVSA-N 1 3 300.446 3.184 20 10 DGCDHO C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273540853 130134304 /nfs/dbraw/zinc/13/43/04/130134304.db2.gz YEEQBFZEOOFPII-CQSZACIVSA-N 1 3 300.446 3.184 20 10 DGCDHO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[O-] ZINC000183591027 432306697 /nfs/dbraw/zinc/30/66/97/432306697.db2.gz AKVKYNWCZCZSPW-HNNXBMFYSA-N 1 3 311.429 3.354 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192696832 432402405 /nfs/dbraw/zinc/40/24/05/432402405.db2.gz XJNWSTVQXMXQTI-JLYLLQBASA-N 1 3 301.478 3.248 20 10 DGCDHO CN(C)c1ccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)cc1 ZINC000377704682 433969332 /nfs/dbraw/zinc/96/93/32/433969332.db2.gz YAYJZMHZMJYXSN-UHFFFAOYSA-N 1 3 324.472 3.248 20 10 DGCDHO CN(C)c1ccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)cc1 ZINC000377704682 433969338 /nfs/dbraw/zinc/96/93/38/433969338.db2.gz YAYJZMHZMJYXSN-UHFFFAOYSA-N 1 3 324.472 3.248 20 10 DGCDHO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000194190373 295168347 /nfs/dbraw/zinc/16/83/47/295168347.db2.gz ACCLFSRANQPSLA-CABCVRRESA-N 1 3 306.450 3.173 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)cc1F ZINC000742385874 574994948 /nfs/dbraw/zinc/99/49/48/574994948.db2.gz ZJQUHXCEACBORD-QAPCUYQASA-N 1 3 321.484 3.492 20 10 DGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044005 618698735 /nfs/dbraw/zinc/69/87/35/618698735.db2.gz HPYDSVDCAQGCFT-ZBFHGGJFSA-N 1 3 306.450 3.014 20 10 DGCDHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044005 618698736 /nfs/dbraw/zinc/69/87/36/618698736.db2.gz HPYDSVDCAQGCFT-ZBFHGGJFSA-N 1 3 306.450 3.014 20 10 DGCDHO COc1ccc(N2CC[C@H]([NH2+]C[C@H](N)CCC(C)(C)C)C2)cc1 ZINC000904376542 619918262 /nfs/dbraw/zinc/91/82/62/619918262.db2.gz BCXOGKRXTIEEDJ-CVEARBPZSA-N 1 3 319.493 3.017 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c([O-])c1 ZINC000769497238 622534176 /nfs/dbraw/zinc/53/41/76/622534176.db2.gz ATPMPVZHKVGCII-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc2c(cc1[O-])CCCC2 ZINC000873271587 623100344 /nfs/dbraw/zinc/10/03/44/623100344.db2.gz IYJWZVAIWHAVEN-UONOGXRCSA-N 1 3 302.462 3.310 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796772262 626081169 /nfs/dbraw/zinc/08/11/69/626081169.db2.gz PQWIAKNWJBEUHB-GUDVDZBRSA-N 1 3 301.478 3.023 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796772262 626081170 /nfs/dbraw/zinc/08/11/70/626081170.db2.gz PQWIAKNWJBEUHB-GUDVDZBRSA-N 1 3 301.478 3.023 20 10 DGCDHO CC[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000817987216 627984626 /nfs/dbraw/zinc/98/46/26/627984626.db2.gz YHZSZBASKUJOGD-AEFFLSMTSA-N 1 3 301.478 3.468 20 10 DGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000840918605 630378282 /nfs/dbraw/zinc/37/82/82/630378282.db2.gz WPYZFDVNIPAARU-APWZRJJASA-N 1 3 303.494 3.366 20 10 DGCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000840918605 630378284 /nfs/dbraw/zinc/37/82/84/630378284.db2.gz WPYZFDVNIPAARU-APWZRJJASA-N 1 3 303.494 3.366 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)c2c1c(F)ccc2[O-] ZINC000844923738 630986023 /nfs/dbraw/zinc/98/60/23/630986023.db2.gz JRXYCQUFQDCRJQ-BMIGLBTASA-N 1 3 318.367 3.467 20 10 DGCDHO COc1cccc([C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000846155982 631212561 /nfs/dbraw/zinc/21/25/61/631212561.db2.gz JLEDUOVQPXTYOO-JKSUJKDBSA-N 1 3 320.477 3.419 20 10 DGCDHO COc1cccc([C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000846155982 631212562 /nfs/dbraw/zinc/21/25/62/631212562.db2.gz JLEDUOVQPXTYOO-JKSUJKDBSA-N 1 3 320.477 3.419 20 10 DGCDHO CCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1[O-] ZINC000846218699 631215519 /nfs/dbraw/zinc/21/55/19/631215519.db2.gz RCVHODLBDMOGMZ-UHFFFAOYSA-N 1 3 310.441 3.450 20 10 DGCDHO CCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1[O-] ZINC000846218699 631215520 /nfs/dbraw/zinc/21/55/20/631215520.db2.gz RCVHODLBDMOGMZ-UHFFFAOYSA-N 1 3 310.441 3.450 20 10 DGCDHO COc1ccc(O)c([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000192935067 658808819 /nfs/dbraw/zinc/80/88/19/658808819.db2.gz JGFQUPFHYFAJNE-GFCCVEGCSA-N 1 3 306.450 3.361 20 10 DGCDHO CN1CCC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547884 662236197 /nfs/dbraw/zinc/23/61/97/662236197.db2.gz WSYMHDFXUPCKEP-PKOBYXMFSA-N 1 3 314.473 3.187 20 10 DGCDHO CN1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547884 662236199 /nfs/dbraw/zinc/23/61/99/662236199.db2.gz WSYMHDFXUPCKEP-PKOBYXMFSA-N 1 3 314.473 3.187 20 10 DGCDHO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)c1ccccc1[O-] ZINC001652968887 1195675587 /nfs/dbraw/zinc/67/55/87/1195675587.db2.gz LGYWHFXMPHFDHB-MDCZIUGASA-N 1 3 318.461 3.076 20 10 DGCDHO CCCN(CCC[NH+](C)C)Cc1ccc2c(c1)CCCN2C ZINC001138359210 1091152885 /nfs/dbraw/zinc/15/28/85/1091152885.db2.gz NPPQRWNHJJHWIW-UHFFFAOYSA-N 1 3 303.494 3.233 20 10 DGCDHO C[C@]1([NH3+])CCCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205274370 1091161303 /nfs/dbraw/zinc/16/13/03/1091161303.db2.gz WDKDKHPNSAIKTJ-FQEVSTJZSA-N 1 3 313.489 3.089 20 10 DGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205582933 1091266506 /nfs/dbraw/zinc/26/65/06/1091266506.db2.gz ZUBJJJFLWBAOPF-GOSISDBHSA-N 1 3 308.441 3.343 20 10 DGCDHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205582933 1091266514 /nfs/dbraw/zinc/26/65/14/1091266514.db2.gz ZUBJJJFLWBAOPF-GOSISDBHSA-N 1 3 308.441 3.343 20 10 DGCDHO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001205581529 1091266904 /nfs/dbraw/zinc/26/69/04/1091266904.db2.gz VGWJJFKXEGOQEC-GOSISDBHSA-N 1 3 302.393 3.198 20 10 DGCDHO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001205581529 1091266911 /nfs/dbraw/zinc/26/69/11/1091266911.db2.gz VGWJJFKXEGOQEC-GOSISDBHSA-N 1 3 302.393 3.198 20 10 DGCDHO COc1cc(C[N@H+](C)CC2CCCCC2)cc(C[NH+](C)C)c1[O-] ZINC001139258811 1091504564 /nfs/dbraw/zinc/50/45/64/1091504564.db2.gz XAYCYQLBVWCUHC-UHFFFAOYSA-N 1 3 320.477 3.475 20 10 DGCDHO COc1cc(C[N@@H+](C)CC2CCCCC2)cc(C[NH+](C)C)c1[O-] ZINC001139258811 1091504571 /nfs/dbraw/zinc/50/45/71/1091504571.db2.gz XAYCYQLBVWCUHC-UHFFFAOYSA-N 1 3 320.477 3.475 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H](C)CC34CC4)cc2)CC1 ZINC001140305515 1091820506 /nfs/dbraw/zinc/82/05/06/1091820506.db2.gz AIHMNYDEHBSXFL-KRWDZBQOSA-N 1 3 313.489 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H](C)CC34CC4)cc2)CC1 ZINC001140305515 1091820512 /nfs/dbraw/zinc/82/05/12/1091820512.db2.gz AIHMNYDEHBSXFL-KRWDZBQOSA-N 1 3 313.489 3.203 20 10 DGCDHO Cc1c(O)ccc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)c1O ZINC001140746236 1091983707 /nfs/dbraw/zinc/98/37/07/1091983707.db2.gz WRMKDIOQESNRFY-QGZVFWFLSA-N 1 3 318.461 3.247 20 10 DGCDHO CC(C)(C)c1cccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC001222147979 1095456970 /nfs/dbraw/zinc/45/69/70/1095456970.db2.gz GWYLROWKVUTWQE-IBGZPJMESA-N 1 3 302.462 3.265 20 10 DGCDHO CC(C)c1ccc(CN2CCC[C@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001222277395 1095526780 /nfs/dbraw/zinc/52/67/80/1095526780.db2.gz NJKOPPCVYHZMKI-IBGZPJMESA-N 1 3 302.462 3.481 20 10 DGCDHO Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)c1O ZINC001277518947 1097750290 /nfs/dbraw/zinc/75/02/90/1097750290.db2.gz GFSCDTXCNWEOIS-GOSISDBHSA-N 1 3 306.425 3.148 20 10 DGCDHO Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)c1O ZINC001277518947 1097750295 /nfs/dbraw/zinc/75/02/95/1097750295.db2.gz GFSCDTXCNWEOIS-GOSISDBHSA-N 1 3 306.425 3.148 20 10 DGCDHO CC(C)CN1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001177199303 1098487968 /nfs/dbraw/zinc/48/79/68/1098487968.db2.gz ICWJNKNYNFCAOZ-UHFFFAOYSA-N 1 3 315.505 3.497 20 10 DGCDHO CN1CCCc2cc(C[N@@H+]3CCCCC34CCNCC4)ccc21 ZINC001235191316 1098868076 /nfs/dbraw/zinc/86/80/76/1098868076.db2.gz ROVFWLZRSGIKSH-UHFFFAOYSA-N 1 3 313.489 3.177 20 10 DGCDHO CN1CCCc2cc(C[N@H+]3CCCCC34CCNCC4)ccc21 ZINC001235191316 1098868088 /nfs/dbraw/zinc/86/80/88/1098868088.db2.gz ROVFWLZRSGIKSH-UHFFFAOYSA-N 1 3 313.489 3.177 20 10 DGCDHO CN1CCCc2cc(CN3CCCCC34CC[NH2+]CC4)ccc21 ZINC001235191316 1098868101 /nfs/dbraw/zinc/86/81/01/1098868101.db2.gz ROVFWLZRSGIKSH-UHFFFAOYSA-N 1 3 313.489 3.177 20 10 DGCDHO c1ccc([C@@H]2CCN2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235949499 1099283261 /nfs/dbraw/zinc/28/32/61/1099283261.db2.gz MUYGZVHETMJYGI-FQEVSTJZSA-N 1 3 307.441 3.043 20 10 DGCDHO CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])c1 ZINC001236321802 1099535140 /nfs/dbraw/zinc/53/51/40/1099535140.db2.gz WPMHCYQFOJRCAJ-GASCZTMLSA-N 1 3 302.462 3.121 20 10 DGCDHO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])c1 ZINC001236321802 1099535151 /nfs/dbraw/zinc/53/51/51/1099535151.db2.gz WPMHCYQFOJRCAJ-GASCZTMLSA-N 1 3 302.462 3.121 20 10 DGCDHO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236374084 1099560348 /nfs/dbraw/zinc/56/03/48/1099560348.db2.gz OXRHDKJJRWMESA-GOSISDBHSA-N 1 3 315.505 3.497 20 10 DGCDHO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236374084 1099560358 /nfs/dbraw/zinc/56/03/58/1099560358.db2.gz OXRHDKJJRWMESA-GOSISDBHSA-N 1 3 315.505 3.497 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236598244 1099694949 /nfs/dbraw/zinc/69/49/49/1099694949.db2.gz JETZEWLCAAYVIU-GOSISDBHSA-N 1 3 313.489 3.251 20 10 DGCDHO C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC1CC[NH+](C)CC1 ZINC001237140027 1099989534 /nfs/dbraw/zinc/98/95/34/1099989534.db2.gz UFZBRVNJOMBTQI-UHFFFAOYSA-N 1 3 316.367 3.185 20 10 DGCDHO C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC1CC[NH+](C)CC1 ZINC001237140027 1099989542 /nfs/dbraw/zinc/98/95/42/1099989542.db2.gz UFZBRVNJOMBTQI-UHFFFAOYSA-N 1 3 316.367 3.185 20 10 DGCDHO COc1cc(Cl)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1[O-] ZINC001328413267 1103938740 /nfs/dbraw/zinc/93/87/40/1103938740.db2.gz XHUREYDJVLDESA-UHFFFAOYSA-N 1 3 324.852 3.020 20 10 DGCDHO COc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1[O-] ZINC001328413267 1103938746 /nfs/dbraw/zinc/93/87/46/1103938746.db2.gz XHUREYDJVLDESA-UHFFFAOYSA-N 1 3 324.852 3.020 20 10 DGCDHO CN(C)c1ccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246314441 1104483816 /nfs/dbraw/zinc/48/38/16/1104483816.db2.gz XNCQSUNNSJXKHD-WOJBJXKFSA-N 1 3 323.484 3.206 20 10 DGCDHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730167 1108614030 /nfs/dbraw/zinc/61/40/30/1108614030.db2.gz WOQUDHPMOHXMCT-AZUAARDMSA-N 1 3 313.489 3.203 20 10 DGCDHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730167 1108614035 /nfs/dbraw/zinc/61/40/35/1108614035.db2.gz WOQUDHPMOHXMCT-AZUAARDMSA-N 1 3 313.489 3.203 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273566836 130138242 /nfs/dbraw/zinc/13/82/42/130138242.db2.gz JTAWMMFLZAPNSS-HZPDHXFCSA-N 1 3 308.466 3.016 20 10 DGCDHO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[O-] ZINC000183591045 432306889 /nfs/dbraw/zinc/30/68/89/432306889.db2.gz AKVKYNWCZCZSPW-OAHLLOKOSA-N 1 3 311.429 3.354 20 10 DGCDHO Cc1cc([O-])c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000369701463 434598057 /nfs/dbraw/zinc/59/80/57/434598057.db2.gz FACDDCJOBQXZGN-UHFFFAOYSA-N 1 3 302.462 3.317 20 10 DGCDHO Cc1cc([O-])c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000369701463 434598068 /nfs/dbraw/zinc/59/80/68/434598068.db2.gz FACDDCJOBQXZGN-UHFFFAOYSA-N 1 3 302.462 3.317 20 10 DGCDHO CC(C)[C@H]([NH3+])CCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000853247375 620681921 /nfs/dbraw/zinc/68/19/21/620681921.db2.gz NGIDFVPDYCYTOU-OAHLLOKOSA-N 1 3 317.399 3.234 20 10 DGCDHO [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000023847484 617793529 /nfs/dbraw/zinc/79/35/29/617793529.db2.gz UVZUOTKWUDHEHM-UHFFFAOYSA-N 1 3 319.408 3.263 20 10 DGCDHO c1cc2c(cc1C[NH2+]C1CCN(C3CCC3)CC1)CCCO2 ZINC000921611453 620913984 /nfs/dbraw/zinc/91/39/84/620913984.db2.gz GLKSAYIYKSHACQ-UHFFFAOYSA-N 1 3 300.446 3.118 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756639785 621655115 /nfs/dbraw/zinc/65/51/15/621655115.db2.gz FAIHJBLLEOFNCT-NFAWXSAZSA-N 1 3 324.440 3.026 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000809767353 626949263 /nfs/dbraw/zinc/94/92/63/626949263.db2.gz INHYXCFYTYQDRW-QUCCMNQESA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000809767353 626949265 /nfs/dbraw/zinc/94/92/65/626949265.db2.gz INHYXCFYTYQDRW-QUCCMNQESA-N 1 3 315.505 3.449 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817893623 627954526 /nfs/dbraw/zinc/95/45/26/627954526.db2.gz GHQGAXHROMKICN-XUVXKRRUSA-N 1 3 315.505 3.461 20 10 DGCDHO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCc3ccccc32)cc1 ZINC000817938529 627966663 /nfs/dbraw/zinc/96/66/63/627966663.db2.gz MMOZDKDCAJXQLR-PMACEKPBSA-N 1 3 309.457 3.420 20 10 DGCDHO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2c1c(F)ccc2[O-] ZINC000817968546 627979036 /nfs/dbraw/zinc/97/90/36/627979036.db2.gz LIKUULRVQGKKFO-ZBEGNZNMSA-N 1 3 312.388 3.473 20 10 DGCDHO CC(C)CN1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835035163 629830649 /nfs/dbraw/zinc/83/06/49/629830649.db2.gz GIIFSCHNOTVFDD-AATRIKPKSA-N 1 3 315.505 3.476 20 10 DGCDHO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000835044127 629834020 /nfs/dbraw/zinc/83/40/20/629834020.db2.gz WWKPLOHTMDHXRN-IIFCEKJISA-N 1 3 301.478 3.228 20 10 DGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918607 630378142 /nfs/dbraw/zinc/37/81/42/630378142.db2.gz WPYZFDVNIPAARU-LPHOPBHVSA-N 1 3 303.494 3.366 20 10 DGCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918607 630378143 /nfs/dbraw/zinc/37/81/43/630378143.db2.gz WPYZFDVNIPAARU-LPHOPBHVSA-N 1 3 303.494 3.366 20 10 DGCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000840940417 630381124 /nfs/dbraw/zinc/38/11/24/630381124.db2.gz YTAMFHUOSDRMJB-UHFFFAOYSA-N 1 3 301.478 3.121 20 10 DGCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000840940417 630381127 /nfs/dbraw/zinc/38/11/27/630381127.db2.gz YTAMFHUOSDRMJB-UHFFFAOYSA-N 1 3 301.478 3.121 20 10 DGCDHO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc3cnccc32)cc1 ZINC000841046097 630401707 /nfs/dbraw/zinc/40/17/07/630401707.db2.gz WBUCGOCXYRKEGI-FQEVSTJZSA-N 1 3 320.440 3.090 20 10 DGCDHO CCN(CC)c1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000841086249 630405986 /nfs/dbraw/zinc/40/59/86/630405986.db2.gz GPMAUTXMAXRQBB-ICSRJNTNSA-N 1 3 315.505 3.497 20 10 DGCDHO CCN(CC)c1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000841086250 630406195 /nfs/dbraw/zinc/40/61/95/630406195.db2.gz GPMAUTXMAXRQBB-QUCCMNQESA-N 1 3 315.505 3.497 20 10 DGCDHO CN(C)c1ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000842765482 630573518 /nfs/dbraw/zinc/57/35/18/630573518.db2.gz WRAAZWZCPGOMBY-CTNGQTDRSA-N 1 3 323.484 3.188 20 10 DGCDHO CN(C)c1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000842765482 630573520 /nfs/dbraw/zinc/57/35/20/630573520.db2.gz WRAAZWZCPGOMBY-CTNGQTDRSA-N 1 3 323.484 3.188 20 10 DGCDHO Cc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1[O-] ZINC000843044190 630607749 /nfs/dbraw/zinc/60/77/49/630607749.db2.gz AAIDTKXVHYXBJM-INIZCTEOSA-N 1 3 308.853 3.318 20 10 DGCDHO CCN(Cc1ccccc1)c1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC000843048388 630608125 /nfs/dbraw/zinc/60/81/25/630608125.db2.gz QBOUFWWLPGKUBG-HXUWFJFHSA-N 1 3 323.484 3.494 20 10 DGCDHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046674 630608286 /nfs/dbraw/zinc/60/82/86/630608286.db2.gz YWAADUWUUYTZKT-APWZRJJASA-N 1 3 301.478 3.379 20 10 DGCDHO C[C@@H](N)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046674 630608289 /nfs/dbraw/zinc/60/82/89/630608289.db2.gz YWAADUWUUYTZKT-APWZRJJASA-N 1 3 301.478 3.379 20 10 DGCDHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)c2c1c(F)ccc2[O-] ZINC000844923743 630985773 /nfs/dbraw/zinc/98/57/73/630985773.db2.gz JRXYCQUFQDCRJQ-ZUZCIYMTSA-N 1 3 318.367 3.467 20 10 DGCDHO [O-]c1ccccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000179582285 655909016 /nfs/dbraw/zinc/90/90/16/655909016.db2.gz ZILNKAOOYRXOIB-UHFFFAOYSA-N 1 3 302.462 3.480 20 10 DGCDHO COc1cc(C[N@@H+]2CC[C@@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164392287 658930421 /nfs/dbraw/zinc/93/04/21/658930421.db2.gz LOSPKDPJDFBOEZ-AWEZNQCLSA-N 1 3 320.477 3.082 20 10 DGCDHO COc1cc(C[N@H+]2CC[C@@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164392287 658930423 /nfs/dbraw/zinc/93/04/23/658930423.db2.gz LOSPKDPJDFBOEZ-AWEZNQCLSA-N 1 3 320.477 3.082 20 10 DGCDHO CN(C)c1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192920206 662115859 /nfs/dbraw/zinc/11/58/59/662115859.db2.gz IXLSBLCQJOEHIM-HXUWFJFHSA-N 1 3 323.484 3.364 20 10 DGCDHO CN(C)c1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192920206 662115861 /nfs/dbraw/zinc/11/58/61/662115861.db2.gz IXLSBLCQJOEHIM-HXUWFJFHSA-N 1 3 323.484 3.364 20 10 DGCDHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001335947481 1178974764 /nfs/dbraw/zinc/97/47/64/1178974764.db2.gz JQHLGJLFIUHASR-FQEVSTJZSA-N 1 3 315.505 3.484 20 10 DGCDHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001335947481 1178974772 /nfs/dbraw/zinc/97/47/72/1178974772.db2.gz JQHLGJLFIUHASR-FQEVSTJZSA-N 1 3 315.505 3.484 20 10 DGCDHO COc1cc(C)c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c([O-])c1 ZINC001561034252 1189423134 /nfs/dbraw/zinc/42/31/34/1189423134.db2.gz LCCKCJBZGLJYBI-UHFFFAOYSA-N 1 3 318.461 3.206 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC001658028668 1196204222 /nfs/dbraw/zinc/20/42/22/1196204222.db2.gz YTDSFGCHOOQTFO-WMZOPIPTSA-N 1 3 302.462 3.432 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC001658028668 1196204225 /nfs/dbraw/zinc/20/42/25/1196204225.db2.gz YTDSFGCHOOQTFO-WMZOPIPTSA-N 1 3 302.462 3.432 20 10 DGCDHO CCOc1cccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1[O-] ZINC001203609291 1090766615 /nfs/dbraw/zinc/76/66/15/1090766615.db2.gz OUUAQFMUMBFJSL-UHFFFAOYSA-N 1 3 320.477 3.343 20 10 DGCDHO CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1[O-] ZINC001203609291 1090766618 /nfs/dbraw/zinc/76/66/18/1090766618.db2.gz OUUAQFMUMBFJSL-UHFFFAOYSA-N 1 3 320.477 3.343 20 10 DGCDHO CCCCN1CCC([N@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC001203684234 1090780013 /nfs/dbraw/zinc/78/00/13/1090780013.db2.gz PIFWKKITJXIDMP-UHFFFAOYSA-N 1 3 306.450 3.097 20 10 DGCDHO CCCCN1CCC([N@@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC001203684234 1090780018 /nfs/dbraw/zinc/78/00/18/1090780018.db2.gz PIFWKKITJXIDMP-UHFFFAOYSA-N 1 3 306.450 3.097 20 10 DGCDHO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139255245 1091501207 /nfs/dbraw/zinc/50/12/07/1091501207.db2.gz OMRLRZZXBLQKBE-GJZGRUSLSA-N 1 3 320.477 3.330 20 10 DGCDHO COc1cc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139255245 1091501215 /nfs/dbraw/zinc/50/12/15/1091501215.db2.gz OMRLRZZXBLQKBE-GJZGRUSLSA-N 1 3 320.477 3.330 20 10 DGCDHO COc1cc(C[N@H+](CC2CC2)C(C)C)cc(C[NH+](C)C)c1[O-] ZINC001139256993 1091501670 /nfs/dbraw/zinc/50/16/70/1091501670.db2.gz OFGWQESYUCRRHN-UHFFFAOYSA-N 1 3 306.450 3.083 20 10 DGCDHO COc1cc(C[N@@H+](CC2CC2)C(C)C)cc(C[NH+](C)C)c1[O-] ZINC001139256993 1091501678 /nfs/dbraw/zinc/50/16/78/1091501678.db2.gz OFGWQESYUCRRHN-UHFFFAOYSA-N 1 3 306.450 3.083 20 10 DGCDHO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@](F)(CN)C2)c1 ZINC001206371001 1091603916 /nfs/dbraw/zinc/60/39/16/1091603916.db2.gz QXRURGDYRBJSMB-SFHVURJKSA-N 1 3 308.441 3.343 20 10 DGCDHO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@](F)(CN)C2)c1 ZINC001206371001 1091603919 /nfs/dbraw/zinc/60/39/19/1091603919.db2.gz QXRURGDYRBJSMB-SFHVURJKSA-N 1 3 308.441 3.343 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC3(C)C)cc2)CC1 ZINC001140300007 1091818596 /nfs/dbraw/zinc/81/85/96/1091818596.db2.gz INPFXMQWBYUSDJ-UHFFFAOYSA-N 1 3 301.478 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCCC3(C)C)cc2)CC1 ZINC001140300007 1091818601 /nfs/dbraw/zinc/81/86/01/1091818601.db2.gz INPFXMQWBYUSDJ-UHFFFAOYSA-N 1 3 301.478 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)C3CCCC3)cc2)CC1 ZINC001140304282 1091819578 /nfs/dbraw/zinc/81/95/78/1091819578.db2.gz LSIYJRXOICIMBJ-UHFFFAOYSA-N 1 3 301.478 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)C3CCCC3)cc2)CC1 ZINC001140304282 1091819582 /nfs/dbraw/zinc/81/95/82/1091819582.db2.gz LSIYJRXOICIMBJ-UHFFFAOYSA-N 1 3 301.478 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](CF)C3)cc2)CC1 ZINC001140304542 1091819794 /nfs/dbraw/zinc/81/97/94/1091819794.db2.gz UFGNSMJPDNTQGG-GOSISDBHSA-N 1 3 319.468 3.010 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](CF)C3)cc2)CC1 ZINC001140304542 1091819796 /nfs/dbraw/zinc/81/97/96/1091819796.db2.gz UFGNSMJPDNTQGG-GOSISDBHSA-N 1 3 319.468 3.010 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC001140306220 1091819930 /nfs/dbraw/zinc/81/99/30/1091819930.db2.gz PVALHLFPQBRZIO-HDICACEKSA-N 1 3 315.505 3.306 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC001140306220 1091819935 /nfs/dbraw/zinc/81/99/35/1091819935.db2.gz PVALHLFPQBRZIO-HDICACEKSA-N 1 3 315.505 3.306 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CF)C3)cc2)CC1 ZINC001140304543 1091820144 /nfs/dbraw/zinc/82/01/44/1091820144.db2.gz UFGNSMJPDNTQGG-SFHVURJKSA-N 1 3 319.468 3.010 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](CF)C3)cc2)CC1 ZINC001140304543 1091820151 /nfs/dbraw/zinc/82/01/51/1091820151.db2.gz UFGNSMJPDNTQGG-SFHVURJKSA-N 1 3 319.468 3.010 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)[C@@H]3C)cc2)CC1 ZINC001140304028 1091820297 /nfs/dbraw/zinc/82/02/97/1091820297.db2.gz FBAMUINLKJBCNZ-ROUUACIJSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](C)[C@@H]3C)cc2)CC1 ZINC001140304028 1091820306 /nfs/dbraw/zinc/82/03/06/1091820306.db2.gz FBAMUINLKJBCNZ-ROUUACIJSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(-n4c(C)ccc4C)cc3)C[C@@H]2C1 ZINC001209520500 1092808303 /nfs/dbraw/zinc/80/83/03/1092808303.db2.gz ZQOCJWIQNPDDKG-BGYRXZFFSA-N 1 3 323.484 3.478 20 10 DGCDHO CCN1C[C@@H]2C[N@H+](Cc3ccc(-n4c(C)ccc4C)cc3)C[C@@H]2C1 ZINC001209520500 1092808311 /nfs/dbraw/zinc/80/83/11/1092808311.db2.gz ZQOCJWIQNPDDKG-BGYRXZFFSA-N 1 3 323.484 3.478 20 10 DGCDHO CC(C)(C)c1ccc(O)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222149033 1095459125 /nfs/dbraw/zinc/45/91/25/1095459125.db2.gz VIXQQFINDKSHRW-IBGZPJMESA-N 1 3 302.462 3.265 20 10 DGCDHO CC(C)c1ccc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c([O-])c1 ZINC001222457620 1095623429 /nfs/dbraw/zinc/62/34/29/1095623429.db2.gz SRSNQYUNPQMDSU-UHFFFAOYSA-N 1 3 302.462 3.481 20 10 DGCDHO Cc1cc(CN2CC[C@H]3C[NH2+]CC[C@H]32)c(C)n1-c1ccccc1 ZINC001222620296 1095695385 /nfs/dbraw/zinc/69/53/85/1095695385.db2.gz LMJCLTHQAXSVKJ-FXAWDEMLSA-N 1 3 309.457 3.278 20 10 DGCDHO CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([O-])c1 ZINC001222629459 1095699731 /nfs/dbraw/zinc/69/97/31/1095699731.db2.gz IBXQDNRBQGPSFM-GASCZTMLSA-N 1 3 302.462 3.121 20 10 DGCDHO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([O-])c1 ZINC001222629459 1095699743 /nfs/dbraw/zinc/69/97/43/1095699743.db2.gz IBXQDNRBQGPSFM-GASCZTMLSA-N 1 3 302.462 3.121 20 10 DGCDHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235155293 1098842199 /nfs/dbraw/zinc/84/21/99/1098842199.db2.gz OAWCTKILCUEAFB-SFHVURJKSA-N 1 3 302.462 3.363 20 10 DGCDHO Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235155293 1098842207 /nfs/dbraw/zinc/84/22/07/1098842207.db2.gz OAWCTKILCUEAFB-SFHVURJKSA-N 1 3 302.462 3.363 20 10 DGCDHO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235157021 1098842889 /nfs/dbraw/zinc/84/28/89/1098842889.db2.gz PXGHGSDBIMKSGT-GOSISDBHSA-N 1 3 318.461 3.063 20 10 DGCDHO COc1cc(C)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235157021 1098842897 /nfs/dbraw/zinc/84/28/97/1098842897.db2.gz PXGHGSDBIMKSGT-GOSISDBHSA-N 1 3 318.461 3.063 20 10 DGCDHO Cc1cc(F)cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1[O-] ZINC001235237152 1098910161 /nfs/dbraw/zinc/91/01/61/1098910161.db2.gz JPYGPUMTBIYXOW-QGZVFWFLSA-N 1 3 306.425 3.194 20 10 DGCDHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC1CC[NH+](C)CC1 ZINC001235685380 1099127111 /nfs/dbraw/zinc/12/71/11/1099127111.db2.gz PIPGKQTUVLKEGW-UHFFFAOYSA-N 1 3 304.478 3.463 20 10 DGCDHO C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC1CC[NH+](C)CC1 ZINC001235685380 1099127116 /nfs/dbraw/zinc/12/71/16/1099127116.db2.gz PIPGKQTUVLKEGW-UHFFFAOYSA-N 1 3 304.478 3.463 20 10 DGCDHO CCOc1cccc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c1O ZINC001275271759 1104698350 /nfs/dbraw/zinc/69/83/50/1104698350.db2.gz XSNFIOUOKGVSPE-IBGZPJMESA-N 1 3 318.461 3.099 20 10 DGCDHO CCOc1cccc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1O ZINC001275271759 1104698355 /nfs/dbraw/zinc/69/83/55/1104698355.db2.gz XSNFIOUOKGVSPE-IBGZPJMESA-N 1 3 318.461 3.099 20 10 DGCDHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730169 1108614119 /nfs/dbraw/zinc/61/41/19/1108614119.db2.gz WOQUDHPMOHXMCT-QUCCMNQESA-N 1 3 313.489 3.203 20 10 DGCDHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730169 1108614125 /nfs/dbraw/zinc/61/41/25/1108614125.db2.gz WOQUDHPMOHXMCT-QUCCMNQESA-N 1 3 313.489 3.203 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1F ZINC001308553127 1111443272 /nfs/dbraw/zinc/44/32/72/1111443272.db2.gz HETCWGRLVYBSND-XYJFISCASA-N 1 3 319.468 3.102 20 10 DGCDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000284297106 131067912 /nfs/dbraw/zinc/06/79/12/131067912.db2.gz YKELALAXAUHOJN-CVEARBPZSA-N 1 3 308.466 3.016 20 10 DGCDHO C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000183428116 432293675 /nfs/dbraw/zinc/29/36/75/432293675.db2.gz XJEJRAHCZRJRKO-HNNXBMFYSA-N 1 3 314.429 3.183 20 10 DGCDHO COc1cccc([O-])c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895685694 618818778 /nfs/dbraw/zinc/81/87/78/618818778.db2.gz NCOMFEFBQOZHQS-UHFFFAOYSA-N 1 3 306.450 3.099 20 10 DGCDHO COc1cccc([O-])c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895685694 618818782 /nfs/dbraw/zinc/81/87/82/618818782.db2.gz NCOMFEFBQOZHQS-UHFFFAOYSA-N 1 3 306.450 3.099 20 10 DGCDHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(N2CCCCC2)cc1 ZINC000863545395 621682482 /nfs/dbraw/zinc/68/24/82/621682482.db2.gz QRLUIVGEWXFPEZ-JFIYKMOQSA-N 1 3 301.478 3.468 20 10 DGCDHO CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757675107 621732841 /nfs/dbraw/zinc/73/28/41/621732841.db2.gz ZYBJTKDQRPVOJV-DZGCQCFKSA-N 1 3 324.440 3.028 20 10 DGCDHO C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817967207 627977634 /nfs/dbraw/zinc/97/76/34/627977634.db2.gz FOCKMFTUGGSIET-MPGHIAIKSA-N 1 3 319.468 3.465 20 10 DGCDHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(N)cc2)CC1 ZINC000841033878 630399442 /nfs/dbraw/zinc/39/94/42/630399442.db2.gz CSEZILQTKKIYCD-JXFKEZNVSA-N 1 3 315.505 3.444 20 10 DGCDHO Cc1cc(Br)cc(C[NH2+][C@@H](C)CCCC[NH3+])c1[O-] ZINC000841079920 630405408 /nfs/dbraw/zinc/40/54/08/630405408.db2.gz ORNRYMHPKFJICI-NSHDSACASA-N 1 3 315.255 3.070 20 10 DGCDHO C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000841100275 630408080 /nfs/dbraw/zinc/40/80/80/630408080.db2.gz AQYPQJARHGPTTP-WMZOPIPTSA-N 1 3 301.478 3.094 20 10 DGCDHO COc1cccc([C@@H](C)NC2CC([NH+]3CCCCC3)C2)c1O ZINC000846168251 631213341 /nfs/dbraw/zinc/21/33/41/631213341.db2.gz RNMBHDYGFCQUBJ-WLYUNCDWSA-N 1 3 304.434 3.068 20 10 DGCDHO CCN(CC)c1ccc(CN[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000174629079 659454355 /nfs/dbraw/zinc/45/43/55/659454355.db2.gz ABJHBJQANGVAIB-APWZRJJASA-N 1 3 303.494 3.353 20 10 DGCDHO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000174629079 659454358 /nfs/dbraw/zinc/45/43/58/659454358.db2.gz ABJHBJQANGVAIB-APWZRJJASA-N 1 3 303.494 3.353 20 10 DGCDHO COc1cc(C)c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001462475728 1182958896 /nfs/dbraw/zinc/95/88/96/1182958896.db2.gz UUGUHCGYBJUALU-UHFFFAOYSA-N 1 3 320.477 3.309 20 10 DGCDHO C[N@@H+]1C[C@@H]2CC[C@H](NCc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC001621108433 1193804129 /nfs/dbraw/zinc/80/41/29/1193804129.db2.gz OVMKARWJIQQMTL-SXLOBPIMSA-N 1 3 313.489 3.107 20 10 DGCDHO C[N@H+]1C[C@@H]2CC[C@H](NCc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC001621108433 1193804130 /nfs/dbraw/zinc/80/41/30/1193804130.db2.gz OVMKARWJIQQMTL-SXLOBPIMSA-N 1 3 313.489 3.107 20 10 DGCDHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC001621108433 1193804132 /nfs/dbraw/zinc/80/41/32/1193804132.db2.gz OVMKARWJIQQMTL-SXLOBPIMSA-N 1 3 313.489 3.107 20 10 DGCDHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222300 1091119701 /nfs/dbraw/zinc/11/97/01/1091119701.db2.gz QVFWLKSLYOESHH-KDURUIRLSA-N 1 3 313.489 3.060 20 10 DGCDHO CCN1C[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222300 1091119706 /nfs/dbraw/zinc/11/97/06/1091119706.db2.gz QVFWLKSLYOESHH-KDURUIRLSA-N 1 3 313.489 3.060 20 10 DGCDHO C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001205922851 1091415277 /nfs/dbraw/zinc/41/52/77/1091415277.db2.gz BVRVIHKIIUFMDC-ZIAGYGMSSA-N 1 3 316.445 3.136 20 10 DGCDHO C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001205922851 1091415282 /nfs/dbraw/zinc/41/52/82/1091415282.db2.gz BVRVIHKIIUFMDC-ZIAGYGMSSA-N 1 3 316.445 3.136 20 10 DGCDHO COc1cc(C[N@H+](C)C2CCCCC2)cc(C[NH+](C)C)c1[O-] ZINC001139253583 1091501475 /nfs/dbraw/zinc/50/14/75/1091501475.db2.gz ZITIXSAOJIMHOH-UHFFFAOYSA-N 1 3 306.450 3.227 20 10 DGCDHO COc1cc(C[N@@H+](C)C2CCCCC2)cc(C[NH+](C)C)c1[O-] ZINC001139253583 1091501483 /nfs/dbraw/zinc/50/14/83/1091501483.db2.gz ZITIXSAOJIMHOH-UHFFFAOYSA-N 1 3 306.450 3.227 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@H](C)C3)cc2)CC1 ZINC001140301934 1091818551 /nfs/dbraw/zinc/81/85/51/1091818551.db2.gz DRMRECCNMKKKSU-SFHVURJKSA-N 1 3 315.505 3.451 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@H](C)C3)cc2)CC1 ZINC001140301934 1091818558 /nfs/dbraw/zinc/81/85/58/1091818558.db2.gz DRMRECCNMKKKSU-SFHVURJKSA-N 1 3 315.505 3.451 20 10 DGCDHO Cc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c([O-])c1 ZINC001140950243 1092077262 /nfs/dbraw/zinc/07/72/62/1092077262.db2.gz WVZBZKQNIDFVOF-UHFFFAOYSA-N 1 3 302.462 3.254 20 10 DGCDHO CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000316305807 1095168247 /nfs/dbraw/zinc/16/82/47/1095168247.db2.gz ZXRIBOLIJITXGI-GBESFXJTSA-N 1 3 301.478 3.153 20 10 DGCDHO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620653 1095698626 /nfs/dbraw/zinc/69/86/26/1095698626.db2.gz WXMLMJMHRHKRAB-AZUAARDMSA-N 1 3 309.457 3.278 20 10 DGCDHO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222620653 1095698638 /nfs/dbraw/zinc/69/86/38/1095698638.db2.gz WXMLMJMHRHKRAB-AZUAARDMSA-N 1 3 309.457 3.278 20 10 DGCDHO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222620653 1095698645 /nfs/dbraw/zinc/69/86/45/1095698645.db2.gz WXMLMJMHRHKRAB-AZUAARDMSA-N 1 3 309.457 3.278 20 10 DGCDHO Cc1cc(C[N@@H+]2CCCCC23CCNCC3)ccc1N(C)C ZINC001235190573 1098868394 /nfs/dbraw/zinc/86/83/94/1098868394.db2.gz WHSRVVJDBVECDE-UHFFFAOYSA-N 1 3 301.478 3.169 20 10 DGCDHO Cc1cc(C[N@H+]2CCCCC23CCNCC3)ccc1N(C)C ZINC001235190573 1098868407 /nfs/dbraw/zinc/86/84/07/1098868407.db2.gz WHSRVVJDBVECDE-UHFFFAOYSA-N 1 3 301.478 3.169 20 10 DGCDHO Cc1cc(CN2CCCCC23CC[NH2+]CC3)ccc1N(C)C ZINC001235190573 1098868416 /nfs/dbraw/zinc/86/84/16/1098868416.db2.gz WHSRVVJDBVECDE-UHFFFAOYSA-N 1 3 301.478 3.169 20 10 DGCDHO Nc1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235385199 1098990144 /nfs/dbraw/zinc/99/01/44/1098990144.db2.gz UCNPIMPMHKQSPA-PZJWPPBQSA-N 1 3 321.468 3.022 20 10 DGCDHO Cc1c(C[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)c2ccccc2n1C ZINC001235404189 1099001735 /nfs/dbraw/zinc/00/17/35/1099001735.db2.gz MZSIYVBRFDKHEX-RTBURBONSA-N 1 3 315.436 3.010 20 10 DGCDHO Cc1c(C[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)c2ccccc2n1C ZINC001235404189 1099001745 /nfs/dbraw/zinc/00/17/45/1099001745.db2.gz MZSIYVBRFDKHEX-RTBURBONSA-N 1 3 315.436 3.010 20 10 DGCDHO [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1)C[NH2+]CCO2 ZINC001235675255 1099118949 /nfs/dbraw/zinc/11/89/49/1099118949.db2.gz SYQHCFJLXYMQTF-GOSISDBHSA-N 1 3 324.424 3.211 20 10 DGCDHO [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1)C[NH2+]CCO2 ZINC001235675255 1099118953 /nfs/dbraw/zinc/11/89/53/1099118953.db2.gz SYQHCFJLXYMQTF-GOSISDBHSA-N 1 3 324.424 3.211 20 10 DGCDHO CN1CC2(C1)CC[NH+](Cc1ccc(C(C)(C)C)cc1O)CC2 ZINC001235678818 1099122061 /nfs/dbraw/zinc/12/20/61/1099122061.db2.gz NHYNUXXNEDKMJU-UHFFFAOYSA-N 1 3 302.462 3.217 20 10 DGCDHO CCC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCCNC2 ZINC001235693927 1099132387 /nfs/dbraw/zinc/13/23/87/1099132387.db2.gz KFEDDTRWIUYSBM-INIZCTEOSA-N 1 3 304.434 3.029 20 10 DGCDHO CCC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCCNC2 ZINC001235693927 1099132389 /nfs/dbraw/zinc/13/23/89/1099132389.db2.gz KFEDDTRWIUYSBM-INIZCTEOSA-N 1 3 304.434 3.029 20 10 DGCDHO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]3CCCC[C@H]31)CNCCO2 ZINC001235868986 1099226766 /nfs/dbraw/zinc/22/67/66/1099226766.db2.gz XWTQMIVIOHIJJS-RHSMWYFYSA-N 1 3 316.445 3.029 20 10 DGCDHO Oc1cc2c(cc1C[N@H+]1CCC[C@H]3CCCC[C@H]31)CNCCO2 ZINC001235868986 1099226772 /nfs/dbraw/zinc/22/67/72/1099226772.db2.gz XWTQMIVIOHIJJS-RHSMWYFYSA-N 1 3 316.445 3.029 20 10 DGCDHO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]3CCCC[C@@H]31)CNCCO2 ZINC001235868990 1099227769 /nfs/dbraw/zinc/22/77/69/1099227769.db2.gz XWTQMIVIOHIJJS-YOEHRIQHSA-N 1 3 316.445 3.029 20 10 DGCDHO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3CCCC[C@@H]31)CNCCO2 ZINC001235868990 1099227776 /nfs/dbraw/zinc/22/77/76/1099227776.db2.gz XWTQMIVIOHIJJS-YOEHRIQHSA-N 1 3 316.445 3.029 20 10 DGCDHO [O-]c1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cccc1-c1ccccc1 ZINC001236320079 1099533950 /nfs/dbraw/zinc/53/39/50/1099533950.db2.gz BDEXMRMSZNKEFO-HDICACEKSA-N 1 3 322.452 3.491 20 10 DGCDHO [O-]c1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cccc1-c1ccccc1 ZINC001236320079 1099533959 /nfs/dbraw/zinc/53/39/59/1099533959.db2.gz BDEXMRMSZNKEFO-HDICACEKSA-N 1 3 322.452 3.491 20 10 DGCDHO COc1cc(C)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001236812942 1099801902 /nfs/dbraw/zinc/80/19/02/1099801902.db2.gz HTCJICOULZUKJG-UHFFFAOYSA-N 1 3 320.477 3.261 20 10 DGCDHO COc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001236812942 1099801914 /nfs/dbraw/zinc/80/19/14/1099801914.db2.gz HTCJICOULZUKJG-UHFFFAOYSA-N 1 3 320.477 3.261 20 10 DGCDHO COc1ccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1C ZINC001246345512 1104501278 /nfs/dbraw/zinc/50/12/78/1104501278.db2.gz IQFKAPNPBBZPOB-VQTJNVASSA-N 1 3 324.468 3.457 20 10 DGCDHO C[NH2+][C@@]12CC[C@@](NCc3ccc(N4CCCC4)cc3)(C1)CCC2 ZINC001275959752 1104968742 /nfs/dbraw/zinc/96/87/42/1104968742.db2.gz FUGWXNAPQHCYAZ-VQTJNVASSA-N 1 3 313.489 3.441 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273566837 130139117 /nfs/dbraw/zinc/13/91/17/130139117.db2.gz JTAWMMFLZAPNSS-JKSUJKDBSA-N 1 3 308.466 3.016 20 10 DGCDHO Cc1cc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000153448220 432410144 /nfs/dbraw/zinc/41/01/44/432410144.db2.gz JDANRTRPTSZACC-GOSISDBHSA-N 1 3 302.462 3.459 20 10 DGCDHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000155412072 432554519 /nfs/dbraw/zinc/55/45/19/432554519.db2.gz NFJQXTGOQOCQQT-SOLBZPMBSA-N 1 3 320.477 3.322 20 10 DGCDHO CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000155412072 432554521 /nfs/dbraw/zinc/55/45/21/432554521.db2.gz NFJQXTGOQOCQQT-SOLBZPMBSA-N 1 3 320.477 3.322 20 10 DGCDHO CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000155412072 432554523 /nfs/dbraw/zinc/55/45/23/432554523.db2.gz NFJQXTGOQOCQQT-SOLBZPMBSA-N 1 3 320.477 3.322 20 10 DGCDHO COc1ccc(O)c([C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000186545729 432605693 /nfs/dbraw/zinc/60/56/93/432605693.db2.gz ZACDAZUGMJXWDO-CABCVRRESA-N 1 3 306.450 3.316 20 10 DGCDHO [O-]c1cccc2c1[C@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000296960337 432942470 /nfs/dbraw/zinc/94/24/70/432942470.db2.gz RCBNPSVIAOWUQL-GOSISDBHSA-N 1 3 323.440 3.281 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423085841 434206534 /nfs/dbraw/zinc/20/65/34/434206534.db2.gz LOUACBYTVMNRKL-OKZBNKHCSA-N 1 3 311.473 3.497 20 10 DGCDHO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000556877824 435034932 /nfs/dbraw/zinc/03/49/32/435034932.db2.gz MRHVJSUCSNTFAD-KSZLIROESA-N 1 3 311.473 3.449 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000556877824 435034933 /nfs/dbraw/zinc/03/49/33/435034933.db2.gz MRHVJSUCSNTFAD-KSZLIROESA-N 1 3 311.473 3.449 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000556877824 435034937 /nfs/dbraw/zinc/03/49/37/435034937.db2.gz MRHVJSUCSNTFAD-KSZLIROESA-N 1 3 311.473 3.449 20 10 DGCDHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000841028401 619165271 /nfs/dbraw/zinc/16/52/71/619165271.db2.gz DCOCLZSJOAZHMP-CYBMUJFWSA-N 1 3 301.409 3.201 20 10 DGCDHO [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000904459815 619923745 /nfs/dbraw/zinc/92/37/45/619923745.db2.gz XKXGZQLMKWFKSZ-UHFFFAOYSA-N 1 3 314.404 3.024 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756639783 621655333 /nfs/dbraw/zinc/65/53/33/621655333.db2.gz FAIHJBLLEOFNCT-GUTXKFCHSA-N 1 3 324.440 3.026 20 10 DGCDHO C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000925793431 627796840 /nfs/dbraw/zinc/79/68/40/627796840.db2.gz YQYZXMWTMORQJB-RYRKJORJSA-N 1 3 301.478 3.183 20 10 DGCDHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817946473 627970893 /nfs/dbraw/zinc/97/08/93/627970893.db2.gz XYSLWWIVSZKJLV-DLBZAZTESA-N 1 3 301.478 3.327 20 10 DGCDHO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2c1c(F)ccc2[O-] ZINC000817968545 627979216 /nfs/dbraw/zinc/97/92/16/627979216.db2.gz LIKUULRVQGKKFO-MEDUHNTESA-N 1 3 312.388 3.473 20 10 DGCDHO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000835044128 629833913 /nfs/dbraw/zinc/83/39/13/629833913.db2.gz WWKPLOHTMDHXRN-JISXSJDESA-N 1 3 301.478 3.228 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2c1c(F)ccc2[O-] ZINC000840811207 630361428 /nfs/dbraw/zinc/36/14/28/630361428.db2.gz ZOPXSFSWUFGXLH-VNHYZAJKSA-N 1 3 306.425 3.401 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2[O-] ZINC000840811207 630361433 /nfs/dbraw/zinc/36/14/33/630361433.db2.gz ZOPXSFSWUFGXLH-VNHYZAJKSA-N 1 3 306.425 3.401 20 10 DGCDHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(N)cc2)CC1 ZINC000841033879 630399188 /nfs/dbraw/zinc/39/91/88/630399188.db2.gz CSEZILQTKKIYCD-OXJNMPFZSA-N 1 3 315.505 3.444 20 10 DGCDHO CCN(Cc1ccccc1)c1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048387 630608506 /nfs/dbraw/zinc/60/85/06/630608506.db2.gz QBOUFWWLPGKUBG-FQEVSTJZSA-N 1 3 323.484 3.494 20 10 DGCDHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843051921 630608673 /nfs/dbraw/zinc/60/86/73/630608673.db2.gz MWBSZPGJMBJSAD-AEFFLSMTSA-N 1 3 301.478 3.236 20 10 DGCDHO C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000848562907 631693846 /nfs/dbraw/zinc/69/38/46/631693846.db2.gz MCNBHOIOHRZLIW-GLRZTSSQSA-N 1 3 310.441 3.489 20 10 DGCDHO COc1ccc(O)c([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000192935051 658809063 /nfs/dbraw/zinc/80/90/63/658809063.db2.gz JGFQUPFHYFAJNE-LBPRGKRZSA-N 1 3 306.450 3.361 20 10 DGCDHO Nc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380110495 1197703564 /nfs/dbraw/zinc/70/35/64/1197703564.db2.gz ZIZUFFBOSZFCRK-VQTJNVASSA-N 1 3 321.468 3.223 20 10 DGCDHO Nc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380110495 1197703566 /nfs/dbraw/zinc/70/35/66/1197703566.db2.gz ZIZUFFBOSZFCRK-VQTJNVASSA-N 1 3 321.468 3.223 20 10 DGCDHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC000314945589 1199797238 /nfs/dbraw/zinc/79/72/38/1199797238.db2.gz RPPZQLDYTMVFFG-SFHVURJKSA-N 1 3 301.478 3.107 20 10 DGCDHO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC000314945589 1199797242 /nfs/dbraw/zinc/79/72/42/1199797242.db2.gz RPPZQLDYTMVFFG-SFHVURJKSA-N 1 3 301.478 3.107 20 10 DGCDHO COc1cc(CN2CC[C@@H](C)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139258227 1091504036 /nfs/dbraw/zinc/50/40/36/1091504036.db2.gz NBUPKHJDSSTALT-KGLIPLIRSA-N 1 3 306.450 3.083 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3C[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC001140301094 1091818045 /nfs/dbraw/zinc/81/80/45/1091818045.db2.gz YTCJXPNOXHUSGZ-OALUTQOASA-N 1 3 313.489 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+](C(C)C)C(C)C)cc2)CC1 ZINC001140300794 1091818795 /nfs/dbraw/zinc/81/87/95/1091818795.db2.gz ULWIRRZHIIKJFX-UHFFFAOYSA-N 1 3 303.494 3.447 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3CCC4(CC4)CC3)cc2)CC1 ZINC001140302701 1091819601 /nfs/dbraw/zinc/81/96/01/1091819601.db2.gz YGDKGKVLPDBYBC-UHFFFAOYSA-N 1 3 313.489 3.205 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC001140306221 1091819643 /nfs/dbraw/zinc/81/96/43/1091819643.db2.gz PVALHLFPQBRZIO-QZTJIDSGSA-N 1 3 315.505 3.306 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](CC3CC3)C(C)C)cc2)CC1 ZINC001140304393 1091819891 /nfs/dbraw/zinc/81/98/91/1091819891.db2.gz NHBXBBQPGAOYDQ-UHFFFAOYSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](CC3CC3)C(C)C)cc2)CC1 ZINC001140304393 1091819901 /nfs/dbraw/zinc/81/99/01/1091819901.db2.gz NHBXBBQPGAOYDQ-UHFFFAOYSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC34CCCC4)cc2)CC1 ZINC001140302140 1091820868 /nfs/dbraw/zinc/82/08/68/1091820868.db2.gz LEXBXVCKKAHLEG-UHFFFAOYSA-N 1 3 313.489 3.347 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC34CCCC4)cc2)CC1 ZINC001140302140 1091820876 /nfs/dbraw/zinc/82/08/76/1091820876.db2.gz LEXBXVCKKAHLEG-UHFFFAOYSA-N 1 3 313.489 3.347 20 10 DGCDHO Cc1c(O)ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c1O ZINC001140748977 1091985419 /nfs/dbraw/zinc/98/54/19/1091985419.db2.gz MSFLRXOEEYSGSH-IRXDYDNUSA-N 1 3 318.461 3.245 20 10 DGCDHO Cc1c(O)ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c1O ZINC001140748977 1091985426 /nfs/dbraw/zinc/98/54/26/1091985426.db2.gz MSFLRXOEEYSGSH-IRXDYDNUSA-N 1 3 318.461 3.245 20 10 DGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000316871783 1095198523 /nfs/dbraw/zinc/19/85/23/1095198523.db2.gz WNZLDZRJAGAMAG-QXSJWSMHSA-N 1 3 300.446 3.465 20 10 DGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000316871783 1095198526 /nfs/dbraw/zinc/19/85/26/1095198526.db2.gz WNZLDZRJAGAMAG-QXSJWSMHSA-N 1 3 300.446 3.465 20 10 DGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Cl ZINC001222314082 1095545059 /nfs/dbraw/zinc/54/50/59/1095545059.db2.gz BULNCUZPIZHGTE-KRWDZBQOSA-N 1 3 308.853 3.462 20 10 DGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Cl ZINC001222314082 1095545067 /nfs/dbraw/zinc/54/50/67/1095545067.db2.gz BULNCUZPIZHGTE-KRWDZBQOSA-N 1 3 308.853 3.462 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001118016083 1095923044 /nfs/dbraw/zinc/92/30/44/1095923044.db2.gz TURIBAFLHHTUCO-ICSRJNTNSA-N 1 3 313.489 3.251 20 10 DGCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(N3CCCC3)cc1)C2 ZINC001172102942 1097053561 /nfs/dbraw/zinc/05/35/61/1097053561.db2.gz QWVLYTPQLYUURF-VJDPLVQDSA-N 1 3 313.489 3.392 20 10 DGCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(N3CCCC3)cc1)C2 ZINC001172102942 1097053564 /nfs/dbraw/zinc/05/35/64/1097053564.db2.gz QWVLYTPQLYUURF-VJDPLVQDSA-N 1 3 313.489 3.392 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001235030043 1098759594 /nfs/dbraw/zinc/75/95/94/1098759594.db2.gz DUJLPLOUITYHMP-HXUWFJFHSA-N 1 3 309.457 3.091 20 10 DGCDHO CCc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC001235423898 1099016852 /nfs/dbraw/zinc/01/68/52/1099016852.db2.gz GYGDGBMOFCYVLX-IAGOWNOFSA-N 1 3 302.462 3.166 20 10 DGCDHO CCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC001235423898 1099016864 /nfs/dbraw/zinc/01/68/64/1099016864.db2.gz GYGDGBMOFCYVLX-IAGOWNOFSA-N 1 3 302.462 3.166 20 10 DGCDHO CCc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c([O-])c1 ZINC001235701433 1099136308 /nfs/dbraw/zinc/13/63/08/1099136308.db2.gz CBQPNCORCKEKAU-UHFFFAOYSA-N 1 3 302.462 3.166 20 10 DGCDHO Cc1cc(F)cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1[O-] ZINC001235703114 1099136588 /nfs/dbraw/zinc/13/65/88/1099136588.db2.gz RQYVSYQRJNDSEM-UHFFFAOYSA-N 1 3 306.425 3.051 20 10 DGCDHO CC(C)(C)c1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c([O-])c1 ZINC001236010246 1099332209 /nfs/dbraw/zinc/33/22/09/1099332209.db2.gz USMPRCIGRIHCDR-UHFFFAOYSA-N 1 3 302.462 3.265 20 10 DGCDHO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@@H]1N ZINC001236219709 1099478195 /nfs/dbraw/zinc/47/81/95/1099478195.db2.gz XMXDJTIPSNXEIQ-RBUKOAKNSA-N 1 3 313.489 3.087 20 10 DGCDHO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@@H]1N ZINC001236219709 1099478200 /nfs/dbraw/zinc/47/82/00/1099478200.db2.gz XMXDJTIPSNXEIQ-RBUKOAKNSA-N 1 3 313.489 3.087 20 10 DGCDHO Cc1cc(F)cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1[O-] ZINC001238064300 1100348914 /nfs/dbraw/zinc/34/89/14/1100348914.db2.gz ABZVBDKODVUHKX-UHFFFAOYSA-N 1 3 306.425 3.148 20 10 DGCDHO C[NH2+][C@H](C)CCN[C@H](C)c1cc(Br)cc(C)c1O ZINC001326035740 1103188837 /nfs/dbraw/zinc/18/88/37/1103188837.db2.gz MEMAXTPTTKJAEH-GHMZBOCLSA-N 1 3 315.255 3.112 20 10 DGCDHO [O-]c1ccccc1C[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275267793 1104698014 /nfs/dbraw/zinc/69/80/14/1104698014.db2.gz WYGOVKACBGJZJA-CALCHBBNSA-N 1 3 314.473 3.479 20 10 DGCDHO [O-]c1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275267793 1104698020 /nfs/dbraw/zinc/69/80/20/1104698020.db2.gz WYGOVKACBGJZJA-CALCHBBNSA-N 1 3 314.473 3.479 20 10 DGCDHO [O-]c1ccccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275267793 1104698027 /nfs/dbraw/zinc/69/80/27/1104698027.db2.gz WYGOVKACBGJZJA-CALCHBBNSA-N 1 3 314.473 3.479 20 10 DGCDHO [O-]c1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275267793 1104698031 /nfs/dbraw/zinc/69/80/31/1104698031.db2.gz WYGOVKACBGJZJA-CALCHBBNSA-N 1 3 314.473 3.479 20 10 DGCDHO CC(C)CN1CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001258016563 1106658255 /nfs/dbraw/zinc/65/82/55/1106658255.db2.gz ABVFAEWSMIPUIL-UHFFFAOYSA-N 1 3 303.494 3.305 20 10 DGCDHO CC(C)CN1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001258016563 1106658256 /nfs/dbraw/zinc/65/82/56/1106658256.db2.gz ABVFAEWSMIPUIL-UHFFFAOYSA-N 1 3 303.494 3.305 20 10 DGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717062 1108607762 /nfs/dbraw/zinc/60/77/62/1108607762.db2.gz KGKAYNOIMZDCOT-YLJYHZDGSA-N 1 3 315.505 3.449 20 10 DGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717062 1108607767 /nfs/dbraw/zinc/60/77/67/1108607767.db2.gz KGKAYNOIMZDCOT-YLJYHZDGSA-N 1 3 315.505 3.449 20 10 DGCDHO CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000134165253 432074807 /nfs/dbraw/zinc/07/48/07/432074807.db2.gz BLLBSNAYVKVWHJ-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000134165253 432074810 /nfs/dbraw/zinc/07/48/10/432074810.db2.gz BLLBSNAYVKVWHJ-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO COc1ccc([O-])c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293836849 131774179 /nfs/dbraw/zinc/77/41/79/131774179.db2.gz XNKXTYWHQOXUQA-HNNXBMFYSA-N 1 3 306.450 3.318 20 10 DGCDHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000185207121 432477609 /nfs/dbraw/zinc/47/76/09/432477609.db2.gz DFKKSPCJDHUVNU-KKUMJFAQSA-N 1 3 324.440 3.071 20 10 DGCDHO C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000185207121 432477613 /nfs/dbraw/zinc/47/76/13/432477613.db2.gz DFKKSPCJDHUVNU-KKUMJFAQSA-N 1 3 324.440 3.071 20 10 DGCDHO COc1ccc(O)c([C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000186142528 432562161 /nfs/dbraw/zinc/56/21/61/432562161.db2.gz IZIKNLMRWCXNOZ-JKSUJKDBSA-N 1 3 320.477 3.419 20 10 DGCDHO COc1ccc(O)c([C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000186142528 432562163 /nfs/dbraw/zinc/56/21/63/432562163.db2.gz IZIKNLMRWCXNOZ-JKSUJKDBSA-N 1 3 320.477 3.419 20 10 DGCDHO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000556877847 435035590 /nfs/dbraw/zinc/03/55/90/435035590.db2.gz MRHVJSUCSNTFAD-KZNAEPCWSA-N 1 3 311.473 3.449 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556877847 435035595 /nfs/dbraw/zinc/03/55/95/435035595.db2.gz MRHVJSUCSNTFAD-KZNAEPCWSA-N 1 3 311.473 3.449 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556877847 435035599 /nfs/dbraw/zinc/03/55/99/435035599.db2.gz MRHVJSUCSNTFAD-KZNAEPCWSA-N 1 3 311.473 3.449 20 10 DGCDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925779998 618617507 /nfs/dbraw/zinc/61/75/07/618617507.db2.gz DDGXGXMXQBJNHJ-UKRRQHHQSA-N 1 3 311.420 3.038 20 10 DGCDHO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925779999 618617591 /nfs/dbraw/zinc/61/75/91/618617591.db2.gz DDGXGXMXQBJNHJ-ZFWWWQNUSA-N 1 3 311.420 3.038 20 10 DGCDHO CC[NH+](CC)CCOCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000757675117 621732854 /nfs/dbraw/zinc/73/28/54/621732854.db2.gz ZYBJTKDQRPVOJV-HIFRSBDPSA-N 1 3 324.440 3.028 20 10 DGCDHO CN(C)c1ccc(C[N@H+](CC[C@@H]2CCCN2C)C2CC2)cc1 ZINC000759846396 621895844 /nfs/dbraw/zinc/89/58/44/621895844.db2.gz UCUMPRZESRGLQU-SFHVURJKSA-N 1 3 301.478 3.201 20 10 DGCDHO CN(C)c1ccc(C[N@@H+](CC[C@@H]2CCCN2C)C2CC2)cc1 ZINC000759846396 621895847 /nfs/dbraw/zinc/89/58/47/621895847.db2.gz UCUMPRZESRGLQU-SFHVURJKSA-N 1 3 301.478 3.201 20 10 DGCDHO CCOc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC000865717388 621982835 /nfs/dbraw/zinc/98/28/35/621982835.db2.gz XPDDUJURZSRZOQ-UHFFFAOYSA-N 1 3 320.477 3.391 20 10 DGCDHO CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000866468259 622123267 /nfs/dbraw/zinc/12/32/67/622123267.db2.gz DFBBMQFVZBYYCB-QGZVFWFLSA-N 1 3 302.462 3.480 20 10 DGCDHO [NH3+][C@H]1C[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000873251804 623092294 /nfs/dbraw/zinc/09/22/94/623092294.db2.gz OJOUVRNPXAJZSF-ZIFCJYIRSA-N 1 3 310.441 3.393 20 10 DGCDHO [NH3+][C@H]1C[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000873256793 623093760 /nfs/dbraw/zinc/09/37/60/623093760.db2.gz OJOUVRNPXAJZSF-LNLFQRSKSA-N 1 3 310.441 3.393 20 10 DGCDHO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)CN(C)C ZINC000813785909 627511688 /nfs/dbraw/zinc/51/16/88/627511688.db2.gz HXQUKVSMNNLJNE-GFCCVEGCSA-N 1 3 317.399 3.059 20 10 DGCDHO CCC[NH+]1CCC(N(C)Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815057577 627620731 /nfs/dbraw/zinc/62/07/31/627620731.db2.gz UOPHLLSBOLXJAF-UHFFFAOYSA-N 1 3 303.494 3.367 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817894290 627954697 /nfs/dbraw/zinc/95/46/97/627954697.db2.gz LEIRYSHWIKUNEA-CEXWTWQISA-N 1 3 301.478 3.071 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817897837 627955507 /nfs/dbraw/zinc/95/55/07/627955507.db2.gz CCMLFNBVIGKVIZ-XUVXKRRUSA-N 1 3 313.489 3.297 20 10 DGCDHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2c1c(F)ccc2[O-] ZINC000817950251 627972116 /nfs/dbraw/zinc/97/21/16/627972116.db2.gz XDFSHVSVVMAAMJ-LRDDRELGSA-N 1 3 314.404 3.371 20 10 DGCDHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817964593 627977121 /nfs/dbraw/zinc/97/71/21/627977121.db2.gz FNHQOAHHWDGMKF-AWEZNQCLSA-N 1 3 305.441 3.348 20 10 DGCDHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965613 627977707 /nfs/dbraw/zinc/97/77/07/627977707.db2.gz SCYGDSOZGTYXLM-GUYCJALGSA-N 1 3 305.441 3.204 20 10 DGCDHO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc2c(cc1[O-])CCCC2 ZINC000817987533 627984593 /nfs/dbraw/zinc/98/45/93/627984593.db2.gz UCMQDCTWTFDFDN-HNONPPJISA-N 1 3 314.473 3.310 20 10 DGCDHO CN(C)c1ccc(/C=C/C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000835036372 629830254 /nfs/dbraw/zinc/83/02/54/629830254.db2.gz PTUZUTQWNOBVBZ-ONEGZZNKSA-N 1 3 313.489 3.230 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2c1c(F)ccc2[O-] ZINC000840811206 630361522 /nfs/dbraw/zinc/36/15/22/630361522.db2.gz ZOPXSFSWUFGXLH-UMVBOHGHSA-N 1 3 306.425 3.401 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2[O-] ZINC000840811206 630361525 /nfs/dbraw/zinc/36/15/25/630361525.db2.gz ZOPXSFSWUFGXLH-UMVBOHGHSA-N 1 3 306.425 3.401 20 10 DGCDHO C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000841078984 630405570 /nfs/dbraw/zinc/40/55/70/630405570.db2.gz GRXFLGCYVJTYDA-HNNXBMFYSA-N 1 3 314.429 3.188 20 10 DGCDHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843051925 630608664 /nfs/dbraw/zinc/60/86/64/630608664.db2.gz MWBSZPGJMBJSAD-WMZOPIPTSA-N 1 3 301.478 3.236 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843125243 630616213 /nfs/dbraw/zinc/61/62/13/630616213.db2.gz OXOOBJMCVOLCEY-KGLIPLIRSA-N 1 3 308.853 3.176 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843125243 630616215 /nfs/dbraw/zinc/61/62/15/630616215.db2.gz OXOOBJMCVOLCEY-KGLIPLIRSA-N 1 3 308.853 3.176 20 10 DGCDHO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC000843127922 630616931 /nfs/dbraw/zinc/61/69/31/630616931.db2.gz UPWILJXLWVHZHM-HZPDHXFCSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC000843127922 630616934 /nfs/dbraw/zinc/61/69/34/630616934.db2.gz UPWILJXLWVHZHM-HZPDHXFCSA-N 1 3 318.461 3.003 20 10 DGCDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)c2c1c(F)ccc2[O-] ZINC000844923742 630986207 /nfs/dbraw/zinc/98/62/07/630986207.db2.gz JRXYCQUFQDCRJQ-MEBBXXQBSA-N 1 3 318.367 3.467 20 10 DGCDHO COc1cccc([C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000846155977 631212488 /nfs/dbraw/zinc/21/24/88/631212488.db2.gz JLEDUOVQPXTYOO-HOTGVXAUSA-N 1 3 320.477 3.419 20 10 DGCDHO COc1cccc([C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000846155977 631212490 /nfs/dbraw/zinc/21/24/90/631212490.db2.gz JLEDUOVQPXTYOO-HOTGVXAUSA-N 1 3 320.477 3.419 20 10 DGCDHO CN1CCC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434298 655632681 /nfs/dbraw/zinc/63/26/81/655632681.db2.gz WSYMHDFXUPCKEP-HKUYNNGSSA-N 1 3 314.473 3.187 20 10 DGCDHO CN1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434298 655632682 /nfs/dbraw/zinc/63/26/82/655632682.db2.gz WSYMHDFXUPCKEP-HKUYNNGSSA-N 1 3 314.473 3.187 20 10 DGCDHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000320265944 656939129 /nfs/dbraw/zinc/93/91/29/656939129.db2.gz SFWDBWHUAWPGOQ-IBGZPJMESA-N 1 3 315.505 3.497 20 10 DGCDHO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000320265944 656939130 /nfs/dbraw/zinc/93/91/30/656939130.db2.gz SFWDBWHUAWPGOQ-IBGZPJMESA-N 1 3 315.505 3.497 20 10 DGCDHO CCN(CC)c1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000092253910 662329190 /nfs/dbraw/zinc/32/91/90/662329190.db2.gz YBYOAUOXGSWUAM-SFHVURJKSA-N 1 3 303.494 3.306 20 10 DGCDHO CCN(CC)c1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253910 662329191 /nfs/dbraw/zinc/32/91/91/662329191.db2.gz YBYOAUOXGSWUAM-SFHVURJKSA-N 1 3 303.494 3.306 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001462662583 1182982264 /nfs/dbraw/zinc/98/22/64/1182982264.db2.gz FGDYKJHRIJOBBD-UHFFFAOYSA-N 1 3 303.494 3.414 20 10 DGCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001462662583 1182982266 /nfs/dbraw/zinc/98/22/66/1182982266.db2.gz FGDYKJHRIJOBBD-UHFFFAOYSA-N 1 3 303.494 3.414 20 10 DGCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001462662583 1182982270 /nfs/dbraw/zinc/98/22/70/1182982270.db2.gz FGDYKJHRIJOBBD-UHFFFAOYSA-N 1 3 303.494 3.414 20 10 DGCDHO CN(C)CC(C)(C)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC001474741340 1183971444 /nfs/dbraw/zinc/97/14/44/1183971444.db2.gz UDVAZVXOBURLFQ-HJWRWDBZSA-N 1 3 303.494 3.285 20 10 DGCDHO CN(C)CC(C)(C)C[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC001474741340 1183971446 /nfs/dbraw/zinc/97/14/46/1183971446.db2.gz UDVAZVXOBURLFQ-HJWRWDBZSA-N 1 3 303.494 3.285 20 10 DGCDHO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC001621108434 1193804011 /nfs/dbraw/zinc/80/40/11/1193804011.db2.gz OVMKARWJIQQMTL-YSIASYRMSA-N 1 3 313.489 3.107 20 10 DGCDHO C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC001621108434 1193804014 /nfs/dbraw/zinc/80/40/14/1193804014.db2.gz OVMKARWJIQQMTL-YSIASYRMSA-N 1 3 313.489 3.107 20 10 DGCDHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC001621108434 1193804017 /nfs/dbraw/zinc/80/40/17/1193804017.db2.gz OVMKARWJIQQMTL-YSIASYRMSA-N 1 3 313.489 3.107 20 10 DGCDHO COc1cc(C)c(C[NH2+]CCCCC[NH+]2CCCC2)c([O-])c1 ZINC001652549244 1195616190 /nfs/dbraw/zinc/61/61/90/1195616190.db2.gz TUYGDRFMKWJQDU-UHFFFAOYSA-N 1 3 306.450 3.065 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001653025843 1195681799 /nfs/dbraw/zinc/68/17/99/1195681799.db2.gz OPDAPPGVIXJKRK-QGZVFWFLSA-N 1 3 324.472 3.167 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC001658028667 1196203927 /nfs/dbraw/zinc/20/39/27/1196203927.db2.gz YTDSFGCHOOQTFO-SJLPKXTDSA-N 1 3 302.462 3.432 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC001658028667 1196203929 /nfs/dbraw/zinc/20/39/29/1196203929.db2.gz YTDSFGCHOOQTFO-SJLPKXTDSA-N 1 3 302.462 3.432 20 10 DGCDHO CCCN(CCC[NH+](C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204328309 1090950576 /nfs/dbraw/zinc/95/05/76/1090950576.db2.gz GRYHNDQUJVSPRV-UHFFFAOYSA-N 1 3 303.494 3.451 20 10 DGCDHO C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1C[NH3+] ZINC001205151656 1091113857 /nfs/dbraw/zinc/11/38/57/1091113857.db2.gz XXWAIIPMXVLQLT-SUMWQHHRSA-N 1 3 314.404 3.225 20 10 DGCDHO C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C[C@H]1C[NH3+] ZINC001205151656 1091113859 /nfs/dbraw/zinc/11/38/59/1091113859.db2.gz XXWAIIPMXVLQLT-SUMWQHHRSA-N 1 3 314.404 3.225 20 10 DGCDHO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@H]1C[NH3+] ZINC001206026838 1091456952 /nfs/dbraw/zinc/45/69/52/1091456952.db2.gz UIDLYTIBRZSFHV-NEPJUHHUSA-N 1 3 316.367 3.218 20 10 DGCDHO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@H]1C[NH3+] ZINC001206026838 1091456957 /nfs/dbraw/zinc/45/69/57/1091456957.db2.gz UIDLYTIBRZSFHV-NEPJUHHUSA-N 1 3 316.367 3.218 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC001140300454 1091818074 /nfs/dbraw/zinc/81/80/74/1091818074.db2.gz QAJHTTRYOPPHEK-QGZVFWFLSA-N 1 3 301.478 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC001140300454 1091818082 /nfs/dbraw/zinc/81/80/82/1091818082.db2.gz QAJHTTRYOPPHEK-QGZVFWFLSA-N 1 3 301.478 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC001140300427 1091818394 /nfs/dbraw/zinc/81/83/94/1091818394.db2.gz PHYVSRWKQBYTGH-QGZVFWFLSA-N 1 3 301.478 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC001140300427 1091818402 /nfs/dbraw/zinc/81/84/02/1091818402.db2.gz PHYVSRWKQBYTGH-QGZVFWFLSA-N 1 3 301.478 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](F)CC3)cc2)CC1 ZINC001140302512 1091820463 /nfs/dbraw/zinc/82/04/63/1091820463.db2.gz SRTPOCZSNSHETP-GOSISDBHSA-N 1 3 319.468 3.153 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](F)CC3)cc2)CC1 ZINC001140302512 1091820468 /nfs/dbraw/zinc/82/04/68/1091820468.db2.gz SRTPOCZSNSHETP-GOSISDBHSA-N 1 3 319.468 3.153 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3CCC(CF)CC3)cc2)CC1 ZINC001140304729 1091820524 /nfs/dbraw/zinc/82/05/24/1091820524.db2.gz ZQDJPIXMUNIHQB-UHFFFAOYSA-N 1 3 319.468 3.010 20 10 DGCDHO C[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000316426122 1095172893 /nfs/dbraw/zinc/17/28/93/1095172893.db2.gz BETZFULSCWCIOO-WMZOPIPTSA-N 1 3 301.478 3.249 20 10 DGCDHO C[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000316426122 1095172902 /nfs/dbraw/zinc/17/29/02/1095172902.db2.gz BETZFULSCWCIOO-WMZOPIPTSA-N 1 3 301.478 3.249 20 10 DGCDHO CC(C)(C)c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001222155267 1095463161 /nfs/dbraw/zinc/46/31/61/1095463161.db2.gz YZRCFFKVNHHCID-IBGZPJMESA-N 1 3 302.462 3.265 20 10 DGCDHO C[NH+]1CCC2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC001231590460 1097785485 /nfs/dbraw/zinc/78/54/85/1097785485.db2.gz CAEVNLSFVGKRAC-UHFFFAOYSA-N 1 3 310.441 3.463 20 10 DGCDHO C[NH+]1CCC2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC001231590460 1097785488 /nfs/dbraw/zinc/78/54/88/1097785488.db2.gz CAEVNLSFVGKRAC-UHFFFAOYSA-N 1 3 310.441 3.463 20 10 DGCDHO COc1cc(C)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235241118 1098912959 /nfs/dbraw/zinc/91/29/59/1098912959.db2.gz YLHLJJAZTBYUKG-SFHVURJKSA-N 1 3 318.461 3.063 20 10 DGCDHO Cc1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001235928546 1099264604 /nfs/dbraw/zinc/26/46/04/1099264604.db2.gz AGXYRZQOCFUJAN-PKOBYXMFSA-N 1 3 309.457 3.135 20 10 DGCDHO [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001235960788 1099294337 /nfs/dbraw/zinc/29/43/37/1099294337.db2.gz ZOAKSXCHPAFHKK-HGKCTWBKSA-N 1 3 308.425 3.228 20 10 DGCDHO [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001235960788 1099294342 /nfs/dbraw/zinc/29/43/42/1099294342.db2.gz ZOAKSXCHPAFHKK-HGKCTWBKSA-N 1 3 308.425 3.228 20 10 DGCDHO Cc1cccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1[O-] ZINC001236374488 1099559480 /nfs/dbraw/zinc/55/94/80/1099559480.db2.gz DBQHAXRYOFRJNB-MRXNPFEDSA-N 1 3 302.462 3.445 20 10 DGCDHO Cc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1[O-] ZINC001236374488 1099559490 /nfs/dbraw/zinc/55/94/90/1099559490.db2.gz DBQHAXRYOFRJNB-MRXNPFEDSA-N 1 3 302.462 3.445 20 10 DGCDHO C[NH2+][C@H](C)CCN[C@@H](C)c1cc(Br)cc(C)c1O ZINC001326035742 1103188806 /nfs/dbraw/zinc/18/88/06/1103188806.db2.gz MEMAXTPTTKJAEH-MNOVXSKESA-N 1 3 315.255 3.112 20 10 DGCDHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186395 1107355008 /nfs/dbraw/zinc/35/50/08/1107355008.db2.gz FWKYBICKVSEDPM-ICSRJNTNSA-N 1 3 313.489 3.203 20 10 DGCDHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186395 1107355021 /nfs/dbraw/zinc/35/50/21/1107355021.db2.gz FWKYBICKVSEDPM-ICSRJNTNSA-N 1 3 313.489 3.203 20 10 DGCDHO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000272742556 130059692 /nfs/dbraw/zinc/05/96/92/130059692.db2.gz BFSUCUKWTQXJHO-FUHWJXTLSA-N 1 3 315.505 3.495 20 10 DGCDHO CCOc1cccc(CNC[C@@H](C)C[NH+]2CCCCC2)c1O ZINC000077290547 431581051 /nfs/dbraw/zinc/58/10/51/431581051.db2.gz GPBZUJYQCPROFW-OAHLLOKOSA-N 1 3 306.450 3.003 20 10 DGCDHO CCOc1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1[O-] ZINC000093688498 431917259 /nfs/dbraw/zinc/91/72/59/431917259.db2.gz LMYZKOVZJPTYBB-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430800 432332236 /nfs/dbraw/zinc/33/22/36/432332236.db2.gz YDUAXUQRACYFKK-DNVCBOLYSA-N 1 3 301.478 3.278 20 10 DGCDHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430800 432332240 /nfs/dbraw/zinc/33/22/40/432332240.db2.gz YDUAXUQRACYFKK-DNVCBOLYSA-N 1 3 301.478 3.278 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280166374 433008589 /nfs/dbraw/zinc/00/85/89/433008589.db2.gz QYTYHOOKYAHHSD-WBVHZDCISA-N 1 3 308.466 3.098 20 10 DGCDHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC000296118639 434516613 /nfs/dbraw/zinc/51/66/13/434516613.db2.gz ZZISIFJCXOFLKG-ZCTYVAAUSA-N 1 3 301.478 3.419 20 10 DGCDHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000296118639 434516623 /nfs/dbraw/zinc/51/66/23/434516623.db2.gz ZZISIFJCXOFLKG-ZCTYVAAUSA-N 1 3 301.478 3.419 20 10 DGCDHO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000194190386 295167259 /nfs/dbraw/zinc/16/72/59/295167259.db2.gz ACCLFSRANQPSLA-LSDHHAIUSA-N 1 3 306.450 3.173 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc1F ZINC000742385873 574995233 /nfs/dbraw/zinc/99/52/33/574995233.db2.gz ZJQUHXCEACBORD-MAUKXSAKSA-N 1 3 321.484 3.492 20 10 DGCDHO COc1ccc(O)c(C[NH2+]C2CCN(CCC(C)C)CC2)c1 ZINC000925417014 620546200 /nfs/dbraw/zinc/54/62/00/620546200.db2.gz YYDQAYWXBWVXQX-UHFFFAOYSA-N 1 3 306.450 3.001 20 10 DGCDHO C[NH+]1CCC(C[NH2+]Cc2ccccc2[O-])(c2ccccc2)CC1 ZINC000865774078 621992644 /nfs/dbraw/zinc/99/26/44/621992644.db2.gz OREMPEGIXDMTAQ-UHFFFAOYSA-N 1 3 310.441 3.145 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1F ZINC000768545748 622463880 /nfs/dbraw/zinc/46/38/80/622463880.db2.gz CJAOUCLAXVYMPV-QGZVFWFLSA-N 1 3 321.484 3.446 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1F ZINC000768545748 622463884 /nfs/dbraw/zinc/46/38/84/622463884.db2.gz CJAOUCLAXVYMPV-QGZVFWFLSA-N 1 3 321.484 3.446 20 10 DGCDHO CCOc1ccc(O)c(CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000769469590 622530547 /nfs/dbraw/zinc/53/05/47/622530547.db2.gz AOIRVRAZZOMTDU-ZBFHGGJFSA-N 1 3 306.450 3.096 20 10 DGCDHO CCOc1ccc(O)c(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000769469590 622530548 /nfs/dbraw/zinc/53/05/48/622530548.db2.gz AOIRVRAZZOMTDU-ZBFHGGJFSA-N 1 3 306.450 3.096 20 10 DGCDHO CCN(C)c1ccc(C[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000773754645 623069211 /nfs/dbraw/zinc/06/92/11/623069211.db2.gz RGIPRRRYHYQFJJ-SFHVURJKSA-N 1 3 303.494 3.449 20 10 DGCDHO CCN(C)c1ccc(C[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000773754645 623069220 /nfs/dbraw/zinc/06/92/20/623069220.db2.gz RGIPRRRYHYQFJJ-SFHVURJKSA-N 1 3 303.494 3.449 20 10 DGCDHO CCOc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)c([O-])c1 ZINC000873232795 623086009 /nfs/dbraw/zinc/08/60/09/623086009.db2.gz MOWIHFRNSGWSTQ-SFHVURJKSA-N 1 3 318.461 3.193 20 10 DGCDHO [NH3+][C@H]1C[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000873256794 623093459 /nfs/dbraw/zinc/09/34/59/623093459.db2.gz OJOUVRNPXAJZSF-ZHALLVOQSA-N 1 3 310.441 3.393 20 10 DGCDHO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)CN(C)C ZINC000813785916 627511538 /nfs/dbraw/zinc/51/15/38/627511538.db2.gz HXQUKVSMNNLJNE-LBPRGKRZSA-N 1 3 317.399 3.059 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817893617 627954429 /nfs/dbraw/zinc/95/44/29/627954429.db2.gz GHQGAXHROMKICN-SLFFLAALSA-N 1 3 315.505 3.461 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc21 ZINC000817901766 627957359 /nfs/dbraw/zinc/95/73/59/627957359.db2.gz YHSDSKCOXUXYOW-CEXWTWQISA-N 1 3 313.489 3.079 20 10 DGCDHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965478 627977650 /nfs/dbraw/zinc/97/76/50/627977650.db2.gz RKRBWKBORRVFBD-HNAYVOBHSA-N 1 3 301.478 3.455 20 10 DGCDHO CN(C)c1ccc(/C=C\C[NH2+]CCCN2CCCCC2)cc1 ZINC000835035053 629830249 /nfs/dbraw/zinc/83/02/49/629830249.db2.gz DKGVSSVDPZQVLO-VURMDHGXSA-N 1 3 301.478 3.231 20 10 DGCDHO CN(C)c1ccc(/C=C\C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000835036370 629830372 /nfs/dbraw/zinc/83/03/72/629830372.db2.gz PTUZUTQWNOBVBZ-ARJAWSKDSA-N 1 3 313.489 3.230 20 10 DGCDHO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000835044129 629833929 /nfs/dbraw/zinc/83/39/29/629833929.db2.gz WWKPLOHTMDHXRN-LJJUJYJISA-N 1 3 301.478 3.228 20 10 DGCDHO COc1cccc([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC000846137381 631211479 /nfs/dbraw/zinc/21/14/79/631211479.db2.gz ORNYAWQAKRKLLZ-LBPRGKRZSA-N 1 3 306.450 3.361 20 10 DGCDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001657322249 1196130210 /nfs/dbraw/zinc/13/02/10/1196130210.db2.gz DXOMONJJQNCUJA-PKOBYXMFSA-N 1 3 301.478 3.249 20 10 DGCDHO C[NH2+]C[C@H]1CCCN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205009173 1091083600 /nfs/dbraw/zinc/08/36/00/1091083600.db2.gz IRCVWPYQIVOXEV-MRXNPFEDSA-N 1 3 311.473 3.337 20 10 DGCDHO C[C@@]1([NH3+])CCCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205274371 1091159984 /nfs/dbraw/zinc/15/99/84/1091159984.db2.gz WDKDKHPNSAIKTJ-HXUWFJFHSA-N 1 3 313.489 3.089 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC001206003472 1091445846 /nfs/dbraw/zinc/44/58/46/1091445846.db2.gz IIGJHMLRQWHGEH-HZPDHXFCSA-N 1 3 319.493 3.045 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC001206003472 1091445853 /nfs/dbraw/zinc/44/58/53/1091445853.db2.gz IIGJHMLRQWHGEH-HZPDHXFCSA-N 1 3 319.493 3.045 20 10 DGCDHO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)cc(C[NH+](C)C)c1[O-] ZINC001139260385 1091503684 /nfs/dbraw/zinc/50/36/84/1091503684.db2.gz RIQMVMCHPOEAIR-CZIWCDLHSA-N 1 3 320.477 3.473 20 10 DGCDHO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)cc(C[NH+](C)C)c1[O-] ZINC001139260385 1091503693 /nfs/dbraw/zinc/50/36/93/1091503693.db2.gz RIQMVMCHPOEAIR-CZIWCDLHSA-N 1 3 320.477 3.473 20 10 DGCDHO CCC[N@@H+](Cc1ccc(N2CCN(CC)CC2)cc1)CC1CC1 ZINC001140300043 1091818492 /nfs/dbraw/zinc/81/84/92/1091818492.db2.gz KBLVTIJLYUSBQG-UHFFFAOYSA-N 1 3 315.505 3.451 20 10 DGCDHO CCC[N@H+](Cc1ccc(N2CCN(CC)CC2)cc1)CC1CC1 ZINC001140300043 1091818497 /nfs/dbraw/zinc/81/84/97/1091818497.db2.gz KBLVTIJLYUSBQG-UHFFFAOYSA-N 1 3 315.505 3.451 20 10 DGCDHO CCN1C[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143116807 1092618350 /nfs/dbraw/zinc/61/83/50/1092618350.db2.gz LEBWYDMHINYZQU-IYBDPMFKSA-N 1 3 302.462 3.073 20 10 DGCDHO CCN1C[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143116807 1092618355 /nfs/dbraw/zinc/61/83/55/1092618355.db2.gz LEBWYDMHINYZQU-IYBDPMFKSA-N 1 3 302.462 3.073 20 10 DGCDHO CCN1C[C@H]2C[NH+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143116805 1092618371 /nfs/dbraw/zinc/61/83/71/1092618371.db2.gz LEBWYDMHINYZQU-HOTGVXAUSA-N 1 3 302.462 3.073 20 10 DGCDHO CCN1C[C@@H]2C[NH+](Cc3ccc(-n4c(C)ccc4C)cc3)C[C@H]2C1 ZINC001209520502 1092808083 /nfs/dbraw/zinc/80/80/83/1092808083.db2.gz ZQOCJWIQNPDDKG-WOJBJXKFSA-N 1 3 323.484 3.478 20 10 DGCDHO Cc1ccc(CN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC001235354197 1098975097 /nfs/dbraw/zinc/97/50/97/1098975097.db2.gz BSUCNAYEAHHRGZ-TZIWHRDSSA-N 1 3 322.452 3.280 20 10 DGCDHO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678644 1099121617 /nfs/dbraw/zinc/12/16/17/1099121617.db2.gz JZULGSRDAZVMEQ-VQIMIIECSA-N 1 3 302.462 3.073 20 10 DGCDHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678644 1099121622 /nfs/dbraw/zinc/12/16/22/1099121622.db2.gz JZULGSRDAZVMEQ-VQIMIIECSA-N 1 3 302.462 3.073 20 10 DGCDHO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678644 1099121627 /nfs/dbraw/zinc/12/16/27/1099121627.db2.gz JZULGSRDAZVMEQ-VQIMIIECSA-N 1 3 302.462 3.073 20 10 DGCDHO C[NH+]1CCC2(CC[N@H+](Cc3cc4ccccc4cc3[O-])C2)CC1 ZINC001236831144 1099818443 /nfs/dbraw/zinc/81/84/43/1099818443.db2.gz FKWWPPUOXRXBII-UHFFFAOYSA-N 1 3 310.441 3.463 20 10 DGCDHO C[NH+]1CCC2(CC[N@@H+](Cc3cc4ccccc4cc3[O-])C2)CC1 ZINC001236831144 1099818453 /nfs/dbraw/zinc/81/84/53/1099818453.db2.gz FKWWPPUOXRXBII-UHFFFAOYSA-N 1 3 310.441 3.463 20 10 DGCDHO C[NH+](C)CC1CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237138824 1099989474 /nfs/dbraw/zinc/98/94/74/1099989474.db2.gz HFWARBVKZHJUES-UHFFFAOYSA-N 1 3 316.367 3.185 20 10 DGCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(C)(C)C)c1O ZINC001275798847 1104912388 /nfs/dbraw/zinc/91/23/88/1104912388.db2.gz LWIBLSPCZBYRSX-MQVJKMGUSA-N 1 3 302.462 3.405 20 10 DGCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(C)(C)C)cc1O ZINC001276287358 1105076929 /nfs/dbraw/zinc/07/69/29/1105076929.db2.gz SHJNBUKYZPTZCD-ALOPSCKCSA-N 1 3 302.462 3.405 20 10 DGCDHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186394 1107355361 /nfs/dbraw/zinc/35/53/61/1107355361.db2.gz FWKYBICKVSEDPM-AZUAARDMSA-N 1 3 313.489 3.203 20 10 DGCDHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186394 1107355375 /nfs/dbraw/zinc/35/53/75/1107355375.db2.gz FWKYBICKVSEDPM-AZUAARDMSA-N 1 3 313.489 3.203 20 10 DGCDHO C[C@H]1C[C@H](N(C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001324745708 1108449536 /nfs/dbraw/zinc/44/95/36/1108449536.db2.gz FAKPBHBRIYQZLQ-QFBILLFUSA-N 1 3 301.478 3.201 20 10 DGCDHO C[C@H]1C[C@H](N(C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001324745708 1108449542 /nfs/dbraw/zinc/44/95/42/1108449542.db2.gz FAKPBHBRIYQZLQ-QFBILLFUSA-N 1 3 301.478 3.201 20 10 DGCDHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730168 1108614252 /nfs/dbraw/zinc/61/42/52/1108614252.db2.gz WOQUDHPMOHXMCT-ICSRJNTNSA-N 1 3 313.489 3.203 20 10 DGCDHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730168 1108614258 /nfs/dbraw/zinc/61/42/58/1108614258.db2.gz WOQUDHPMOHXMCT-ICSRJNTNSA-N 1 3 313.489 3.203 20 10 DGCDHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730170 1108614533 /nfs/dbraw/zinc/61/45/33/1108614533.db2.gz WOQUDHPMOHXMCT-UYAOXDASSA-N 1 3 313.489 3.203 20 10 DGCDHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730170 1108614538 /nfs/dbraw/zinc/61/45/38/1108614538.db2.gz WOQUDHPMOHXMCT-UYAOXDASSA-N 1 3 313.489 3.203 20 10 DGCDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273566835 130138760 /nfs/dbraw/zinc/13/87/60/130138760.db2.gz JTAWMMFLZAPNSS-HOTGVXAUSA-N 1 3 308.466 3.016 20 10 DGCDHO CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000155412184 288039407 /nfs/dbraw/zinc/03/94/07/288039407.db2.gz NFJQXTGOQOCQQT-NUJGCVRESA-N 1 3 320.477 3.322 20 10 DGCDHO CCOc1cccc(CNC[C@H](C)C[NH+]2CCCCC2)c1O ZINC000077290549 331673684 /nfs/dbraw/zinc/67/36/84/331673684.db2.gz GPBZUJYQCPROFW-HNNXBMFYSA-N 1 3 306.450 3.003 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1F ZINC000742385875 574995374 /nfs/dbraw/zinc/99/53/74/574995374.db2.gz ZJQUHXCEACBORD-YJBOKZPZSA-N 1 3 321.484 3.492 20 10 DGCDHO CCC[NH+]1CCC(N(C)Cc2cc(C)cc(OC)c2O)CC1 ZINC000893967522 618684905 /nfs/dbraw/zinc/68/49/05/618684905.db2.gz NRGUCDNNAXYGMM-UHFFFAOYSA-N 1 3 306.450 3.015 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756546838 621646538 /nfs/dbraw/zinc/64/65/38/621646538.db2.gz SHIRRNZRLKLTCP-DOMZBBRYSA-N 1 3 306.425 3.401 20 10 DGCDHO CCOc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c([O-])c1 ZINC000865765568 621991463 /nfs/dbraw/zinc/99/14/63/621991463.db2.gz AHAAKGCMNAWIBX-UHFFFAOYSA-N 1 3 306.450 3.143 20 10 DGCDHO C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc2c(cc1[O-])CCCC2 ZINC000873271586 623100333 /nfs/dbraw/zinc/10/03/33/623100333.db2.gz IYJWZVAIWHAVEN-KBPBESRZSA-N 1 3 302.462 3.310 20 10 DGCDHO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000809738795 626944281 /nfs/dbraw/zinc/94/42/81/626944281.db2.gz KBRGOOGUDNDLFC-UHFFFAOYSA-N 1 3 302.393 3.225 20 10 DGCDHO C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000809738795 626944284 /nfs/dbraw/zinc/94/42/84/626944284.db2.gz KBRGOOGUDNDLFC-UHFFFAOYSA-N 1 3 302.393 3.225 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000809767354 626949376 /nfs/dbraw/zinc/94/93/76/626949376.db2.gz INHYXCFYTYQDRW-UYAOXDASSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000809767354 626949377 /nfs/dbraw/zinc/94/93/77/626949377.db2.gz INHYXCFYTYQDRW-UYAOXDASSA-N 1 3 315.505 3.449 20 10 DGCDHO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c([O-])c1 ZINC000925887099 627812270 /nfs/dbraw/zinc/81/22/70/627812270.db2.gz RMGOEKCZDYAQLH-MDYRTPRTSA-N 1 3 310.441 3.410 20 10 DGCDHO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817895708 627954464 /nfs/dbraw/zinc/95/44/64/627954464.db2.gz ZPVCFOCGDWRVQS-CQSZACIVSA-N 1 3 312.461 3.074 20 10 DGCDHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817946474 627970538 /nfs/dbraw/zinc/97/05/38/627970538.db2.gz XYSLWWIVSZKJLV-IAGOWNOFSA-N 1 3 301.478 3.327 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2c1c(F)ccc2[O-] ZINC000817968544 627979149 /nfs/dbraw/zinc/97/91/49/627979149.db2.gz LIKUULRVQGKKFO-BZNIZROVSA-N 1 3 312.388 3.473 20 10 DGCDHO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc2c(cc1[O-])CCCC2 ZINC000817987537 627984611 /nfs/dbraw/zinc/98/46/11/627984611.db2.gz UCMQDCTWTFDFDN-XDKFSHSGSA-N 1 3 314.473 3.310 20 10 DGCDHO CN(C)c1ccc(/C=C/CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000835052957 629837569 /nfs/dbraw/zinc/83/75/69/629837569.db2.gz IVBVXDIXBKQSPH-XLKJWTSGSA-N 1 3 313.489 3.182 20 10 DGCDHO CN(C)c1ccc(/C=C/CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000835052957 629837572 /nfs/dbraw/zinc/83/75/72/629837572.db2.gz IVBVXDIXBKQSPH-XLKJWTSGSA-N 1 3 313.489 3.182 20 10 DGCDHO Cc1cc(N(C)C)ccc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000840935427 630380758 /nfs/dbraw/zinc/38/07/58/630380758.db2.gz PDIIUYQMULLITA-JLYLLQBASA-N 1 3 301.478 3.166 20 10 DGCDHO Cc1cc(N(C)C)ccc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000840935427 630380760 /nfs/dbraw/zinc/38/07/60/630380760.db2.gz PDIIUYQMULLITA-JLYLLQBASA-N 1 3 301.478 3.166 20 10 DGCDHO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC000843127925 630617042 /nfs/dbraw/zinc/61/70/42/630617042.db2.gz UPWILJXLWVHZHM-JKSUJKDBSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC000843127925 630617045 /nfs/dbraw/zinc/61/70/45/630617045.db2.gz UPWILJXLWVHZHM-JKSUJKDBSA-N 1 3 318.461 3.003 20 10 DGCDHO CN(C)c1ccc(/C=C\CNCc2ccc(C[NH3+])cc2F)cc1 ZINC000844907811 630975387 /nfs/dbraw/zinc/97/53/87/630975387.db2.gz OBTAAQWFUYEWGP-ARJAWSKDSA-N 1 3 313.420 3.153 20 10 DGCDHO CCN(CC)c1ccc(CN2CCC(CC[NH3+])CC2)cc1F ZINC000844911144 630977021 /nfs/dbraw/zinc/97/70/21/630977021.db2.gz LKKGSKZCXMDYAW-UHFFFAOYSA-N 1 3 307.457 3.233 20 10 DGCDHO COc1cccc([C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000846155980 631212654 /nfs/dbraw/zinc/21/26/54/631212654.db2.gz JLEDUOVQPXTYOO-HZPDHXFCSA-N 1 3 320.477 3.419 20 10 DGCDHO COc1cccc([C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000846155980 631212656 /nfs/dbraw/zinc/21/26/56/631212656.db2.gz JLEDUOVQPXTYOO-HZPDHXFCSA-N 1 3 320.477 3.419 20 10 DGCDHO CC1CCN(c2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000848717973 631733197 /nfs/dbraw/zinc/73/31/97/631733197.db2.gz DUXCKLHLJRMUTH-MSOLQXFVSA-N 1 3 301.478 3.282 20 10 DGCDHO CCc1cccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000848888478 631773710 /nfs/dbraw/zinc/77/37/10/631773710.db2.gz UZHGLJIUXCWNON-GOSISDBHSA-N 1 3 302.462 3.405 20 10 DGCDHO CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(C)cc1[O-] ZINC000850502173 632173241 /nfs/dbraw/zinc/17/32/41/632173241.db2.gz SIBPRNDZDBNTRD-FUHWJXTLSA-N 1 3 321.509 3.013 20 10 DGCDHO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000320265945 656939260 /nfs/dbraw/zinc/93/92/60/656939260.db2.gz SFWDBWHUAWPGOQ-LJQANCHMSA-N 1 3 315.505 3.497 20 10 DGCDHO CC(C)[N@H+]1CC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000320265945 656939265 /nfs/dbraw/zinc/93/92/65/656939265.db2.gz SFWDBWHUAWPGOQ-LJQANCHMSA-N 1 3 315.505 3.497 20 10 DGCDHO CN(C)c1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192920194 662116037 /nfs/dbraw/zinc/11/60/37/662116037.db2.gz IXLSBLCQJOEHIM-FQEVSTJZSA-N 1 3 323.484 3.364 20 10 DGCDHO CN(C)c1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192920194 662116038 /nfs/dbraw/zinc/11/60/38/662116038.db2.gz IXLSBLCQJOEHIM-FQEVSTJZSA-N 1 3 323.484 3.364 20 10 DGCDHO CN(C)CC(C)(C)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC001474741339 1183971257 /nfs/dbraw/zinc/97/12/57/1183971257.db2.gz UDVAZVXOBURLFQ-CMDGGOBGSA-N 1 3 303.494 3.285 20 10 DGCDHO CN(C)CC(C)(C)C[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC001474741339 1183971260 /nfs/dbraw/zinc/97/12/60/1183971260.db2.gz UDVAZVXOBURLFQ-CMDGGOBGSA-N 1 3 303.494 3.285 20 10 DGCDHO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)cc(OC)c3[O-])(C1)CCC2 ZINC001276448964 1090926505 /nfs/dbraw/zinc/92/65/05/1090926505.db2.gz TWMSCERMBHLPGX-DLBZAZTESA-N 1 3 324.852 3.209 20 10 DGCDHO C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001205922849 1091414724 /nfs/dbraw/zinc/41/47/24/1091414724.db2.gz BVRVIHKIIUFMDC-KGLIPLIRSA-N 1 3 316.445 3.136 20 10 DGCDHO C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001205922849 1091414732 /nfs/dbraw/zinc/41/47/32/1091414732.db2.gz BVRVIHKIIUFMDC-KGLIPLIRSA-N 1 3 316.445 3.136 20 10 DGCDHO COc1cc(C[N@@H+]2CCCC[C@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139252973 1091501390 /nfs/dbraw/zinc/50/13/90/1091501390.db2.gz HMVHXRRTRBLXKP-AWEZNQCLSA-N 1 3 306.450 3.084 20 10 DGCDHO COc1cc(C[N@H+]2CCCC[C@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139252973 1091501402 /nfs/dbraw/zinc/50/14/02/1091501402.db2.gz HMVHXRRTRBLXKP-AWEZNQCLSA-N 1 3 306.450 3.084 20 10 DGCDHO COc1cc(CN2CC[C@H](C)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139258226 1091503446 /nfs/dbraw/zinc/50/34/46/1091503446.db2.gz NBUPKHJDSSTALT-KBPBESRZSA-N 1 3 306.450 3.083 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3C[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140301095 1091818251 /nfs/dbraw/zinc/81/82/51/1091818251.db2.gz YTCJXPNOXHUSGZ-RTBURBONSA-N 1 3 313.489 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)CC3)cc2)CC1 ZINC001140301951 1091818996 /nfs/dbraw/zinc/81/89/96/1091818996.db2.gz FHTKEXJKVMDNIH-SFHVURJKSA-N 1 3 315.505 3.451 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](C)CC3)cc2)CC1 ZINC001140301951 1091819000 /nfs/dbraw/zinc/81/90/00/1091819000.db2.gz FHTKEXJKVMDNIH-SFHVURJKSA-N 1 3 315.505 3.451 20 10 DGCDHO Cc1c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001276557126 1092204674 /nfs/dbraw/zinc/20/46/74/1092204674.db2.gz VSMUHPFBMHBPGF-HXUWFJFHSA-N 1 3 311.473 3.404 20 10 DGCDHO Cc1c(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001276557126 1092204685 /nfs/dbraw/zinc/20/46/85/1092204685.db2.gz VSMUHPFBMHBPGF-HXUWFJFHSA-N 1 3 311.473 3.404 20 10 DGCDHO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000316305808 1095168397 /nfs/dbraw/zinc/16/83/97/1095168397.db2.gz ZXRIBOLIJITXGI-GUDVDZBRSA-N 1 3 301.478 3.153 20 10 DGCDHO CN(Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001116437344 1095552040 /nfs/dbraw/zinc/55/20/40/1095552040.db2.gz ZRKHXRMDJBAXID-GOSISDBHSA-N 1 3 301.478 3.060 20 10 DGCDHO CN(Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001116437344 1095552052 /nfs/dbraw/zinc/55/20/52/1095552052.db2.gz ZRKHXRMDJBAXID-GOSISDBHSA-N 1 3 301.478 3.060 20 10 DGCDHO CCOCc1cc(C[NH2+]C[C@H]2CCCN(CC)C2)ccc1OC ZINC001177542099 1098552943 /nfs/dbraw/zinc/55/29/43/1098552943.db2.gz JLFJRYCLOLAHLF-QGZVFWFLSA-N 1 3 320.477 3.053 20 10 DGCDHO N[C@]12CC[C@H]1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985529 1099310047 /nfs/dbraw/zinc/31/00/47/1099310047.db2.gz CTICOXQLMXHYDZ-LPHOPBHVSA-N 1 3 312.388 3.121 20 10 DGCDHO N[C@]12CC[C@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985529 1099310055 /nfs/dbraw/zinc/31/00/55/1099310055.db2.gz CTICOXQLMXHYDZ-LPHOPBHVSA-N 1 3 312.388 3.121 20 10 DGCDHO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@@H]1N ZINC001236219704 1099478712 /nfs/dbraw/zinc/47/87/12/1099478712.db2.gz XMXDJTIPSNXEIQ-OALUTQOASA-N 1 3 313.489 3.087 20 10 DGCDHO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@@H]1N ZINC001236219704 1099478715 /nfs/dbraw/zinc/47/87/15/1099478715.db2.gz XMXDJTIPSNXEIQ-OALUTQOASA-N 1 3 313.489 3.087 20 10 DGCDHO Cc1cc(F)cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1[O-] ZINC001238062299 1100346566 /nfs/dbraw/zinc/34/65/66/1100346566.db2.gz OLFQKWOOQTXCML-UHFFFAOYSA-N 1 3 320.452 3.394 20 10 DGCDHO c1ccc(C[C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CCN2)cc1 ZINC001246199215 1104434030 /nfs/dbraw/zinc/43/40/30/1104434030.db2.gz KRYLOTLXBVNDDT-VQTJNVASSA-N 1 3 322.452 3.074 20 10 DGCDHO COc1ccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1C ZINC001246345513 1104501078 /nfs/dbraw/zinc/50/10/78/1104501078.db2.gz IQFKAPNPBBZPOB-WOJBJXKFSA-N 1 3 324.468 3.457 20 10 DGCDHO [O-]c1ccccc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001275266945 1104698062 /nfs/dbraw/zinc/69/80/62/1104698062.db2.gz GVLHFOCQEDVPEY-UHFFFAOYSA-N 1 3 300.446 3.233 20 10 DGCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246919301 1104737041 /nfs/dbraw/zinc/73/70/41/1104737041.db2.gz GXOOZZWTIBOAMD-IZZQQSIFSA-N 1 3 301.478 3.248 20 10 DGCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246919301 1104737046 /nfs/dbraw/zinc/73/70/46/1104737046.db2.gz GXOOZZWTIBOAMD-IZZQQSIFSA-N 1 3 301.478 3.248 20 10 DGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246919301 1104737052 /nfs/dbraw/zinc/73/70/52/1104737052.db2.gz GXOOZZWTIBOAMD-IZZQQSIFSA-N 1 3 301.478 3.248 20 10 DGCDHO CCN(CC)c1ccc(CNCC2=CC[N@H+](C)CC2)cc1F ZINC000271780138 432424559 /nfs/dbraw/zinc/42/45/59/432424559.db2.gz DKZKOINPMZEXDF-UHFFFAOYSA-N 1 3 305.441 3.023 20 10 DGCDHO CCN(CC)c1ccc(CNCC2=CC[N@@H+](C)CC2)cc1F ZINC000271780138 432424565 /nfs/dbraw/zinc/42/45/65/432424565.db2.gz DKZKOINPMZEXDF-UHFFFAOYSA-N 1 3 305.441 3.023 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+]CC2=CCN(C)CC2)cc1F ZINC000271780138 432424568 /nfs/dbraw/zinc/42/45/68/432424568.db2.gz DKZKOINPMZEXDF-UHFFFAOYSA-N 1 3 305.441 3.023 20 10 DGCDHO COc1ccc(N2CC[C@@H]([NH2+]C[C@H](N)CCC(C)(C)C)C2)cc1 ZINC000904376544 619918206 /nfs/dbraw/zinc/91/82/06/619918206.db2.gz BCXOGKRXTIEEDJ-HZPDHXFCSA-N 1 3 319.493 3.017 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000773757067 623068609 /nfs/dbraw/zinc/06/86/09/623068609.db2.gz YIFRJURBCFGZNN-LPHOPBHVSA-N 1 3 303.494 3.447 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000773757067 623068614 /nfs/dbraw/zinc/06/86/14/623068614.db2.gz YIFRJURBCFGZNN-LPHOPBHVSA-N 1 3 303.494 3.447 20 10 DGCDHO Cc1cccc([O-])c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000877136186 623801711 /nfs/dbraw/zinc/80/17/11/623801711.db2.gz BBVYRMVZSFCHJZ-UHFFFAOYSA-N 1 3 311.429 3.102 20 10 DGCDHO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCc3ccccc32)cc1 ZINC000817938530 627966642 /nfs/dbraw/zinc/96/66/42/627966642.db2.gz MMOZDKDCAJXQLR-UXHICEINSA-N 1 3 309.457 3.420 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431970 628022605 /nfs/dbraw/zinc/02/26/05/628022605.db2.gz YOSJBJMTJICLGU-CYBMUJFWSA-N 1 3 308.853 3.318 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431970 628022607 /nfs/dbraw/zinc/02/26/07/628022607.db2.gz YOSJBJMTJICLGU-CYBMUJFWSA-N 1 3 308.853 3.318 20 10 DGCDHO CC(C)CN1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835035165 629830673 /nfs/dbraw/zinc/83/06/73/629830673.db2.gz GIIFSCHNOTVFDD-WAYWQWQTSA-N 1 3 315.505 3.476 20 10 DGCDHO CN(C)c1ccc(/C=C/C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000835053150 629837483 /nfs/dbraw/zinc/83/74/83/629837483.db2.gz KUDHNRZZTGNBMC-NOKHBTLWSA-N 1 3 313.489 3.323 20 10 DGCDHO CN(C)c1ccc(/C=C/C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000835053150 629837486 /nfs/dbraw/zinc/83/74/86/629837486.db2.gz KUDHNRZZTGNBMC-NOKHBTLWSA-N 1 3 313.489 3.323 20 10 DGCDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054459 629838567 /nfs/dbraw/zinc/83/85/67/629838567.db2.gz VTHZOHJBQCIHMV-VAQJZUQRSA-N 1 3 301.478 3.038 20 10 DGCDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054459 629838571 /nfs/dbraw/zinc/83/85/71/629838571.db2.gz VTHZOHJBQCIHMV-VAQJZUQRSA-N 1 3 301.478 3.038 20 10 DGCDHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc(N)cc3)CC2)C1 ZINC000841034705 630400074 /nfs/dbraw/zinc/40/00/74/630400074.db2.gz JSPJGNAWCJJUHM-UZLBHIALSA-N 1 3 315.505 3.444 20 10 DGCDHO C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000844904414 630972840 /nfs/dbraw/zinc/97/28/40/630972840.db2.gz LGNNOGKJVHBIIN-UHFFFAOYSA-N 1 3 320.820 3.063 20 10 DGCDHO CCc1cccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000848889388 631773503 /nfs/dbraw/zinc/77/35/03/631773503.db2.gz JIEQAMGYPBGSLF-MRXNPFEDSA-N 1 3 302.462 3.118 20 10 DGCDHO CCc1cccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1O ZINC000848889388 631773505 /nfs/dbraw/zinc/77/35/05/631773505.db2.gz JIEQAMGYPBGSLF-MRXNPFEDSA-N 1 3 302.462 3.118 20 10 DGCDHO COc1cc(CN[C@H](C)CC[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000850097173 632055375 /nfs/dbraw/zinc/05/53/75/632055375.db2.gz SWFHSZNXHDMSIH-CYBMUJFWSA-N 1 3 308.466 3.128 20 10 DGCDHO CN(C)CC1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCCC1 ZINC001474106274 1183869022 /nfs/dbraw/zinc/86/90/22/1183869022.db2.gz HYOWEBQEFPMYCH-FPLPWBNLSA-N 1 3 315.505 3.477 20 10 DGCDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001657322247 1196130412 /nfs/dbraw/zinc/13/04/12/1196130412.db2.gz DXOMONJJQNCUJA-IEBWSBKVSA-N 1 3 301.478 3.249 20 10 DGCDHO CN(C)c1ccc(C[NH+]2CCC(N(C)C)CC2)c2ccccc21 ZINC001204233279 1090930284 /nfs/dbraw/zinc/93/02/84/1090930284.db2.gz PNPWPEHZYAROGS-UHFFFAOYSA-N 1 3 311.473 3.432 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1[O-] ZINC001205592777 1091269375 /nfs/dbraw/zinc/26/93/75/1091269375.db2.gz YEPUIFIXBRHVTJ-HNNXBMFYSA-N 1 3 300.805 3.007 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1[O-] ZINC001205592777 1091269383 /nfs/dbraw/zinc/26/93/83/1091269383.db2.gz YEPUIFIXBRHVTJ-HNNXBMFYSA-N 1 3 300.805 3.007 20 10 DGCDHO CCN1C[C@H]2C[NH+](Cc3ccc(-n4c(C)ccc4C)cc3)C[C@@H]2C1 ZINC001209520501 1092807393 /nfs/dbraw/zinc/80/73/93/1092807393.db2.gz ZQOCJWIQNPDDKG-PMACEKPBSA-N 1 3 323.484 3.478 20 10 DGCDHO Cc1c(CN2CCC3(CCC[NH2+]C3)CC2)c2ccccc2n1C ZINC001222452672 1095621554 /nfs/dbraw/zinc/62/15/54/1095621554.db2.gz JLTFMAZZFUULTC-UHFFFAOYSA-N 1 3 311.473 3.452 20 10 DGCDHO CCN1C[C@@H]2C[N@@H+](Cc3cc(C)n(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001137858956 1095769423 /nfs/dbraw/zinc/76/94/23/1095769423.db2.gz BSDFJHXTBZRNMR-BGYRXZFFSA-N 1 3 323.484 3.478 20 10 DGCDHO CCN1C[C@@H]2C[N@H+](Cc3cc(C)n(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001137858956 1095769432 /nfs/dbraw/zinc/76/94/32/1095769432.db2.gz BSDFJHXTBZRNMR-BGYRXZFFSA-N 1 3 323.484 3.478 20 10 DGCDHO Cc1cccc(C[NH+]2CCC(N3CCC(F)CC3)CC2)c1O ZINC001231593512 1097787557 /nfs/dbraw/zinc/78/75/57/1097787557.db2.gz IUVDXCDMAXYPSP-UHFFFAOYSA-N 1 3 306.425 3.099 20 10 DGCDHO CC(C)(C)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c([O-])c1 ZINC001235106927 1098806631 /nfs/dbraw/zinc/80/66/31/1098806631.db2.gz VDORSXYLLLNYCZ-UHFFFAOYSA-N 1 3 302.462 3.265 20 10 DGCDHO Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235153127 1098839550 /nfs/dbraw/zinc/83/95/50/1098839550.db2.gz FCOAVAIQAUAEFX-QGZVFWFLSA-N 1 3 306.425 3.194 20 10 DGCDHO Cc1cc(F)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235153127 1098839557 /nfs/dbraw/zinc/83/95/57/1098839557.db2.gz FCOAVAIQAUAEFX-QGZVFWFLSA-N 1 3 306.425 3.194 20 10 DGCDHO Cc1cc(F)cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1[O-] ZINC001235237150 1098909986 /nfs/dbraw/zinc/90/99/86/1098909986.db2.gz JPYGPUMTBIYXOW-KRWDZBQOSA-N 1 3 306.425 3.194 20 10 DGCDHO Cc1cc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001235928544 1099264492 /nfs/dbraw/zinc/26/44/92/1099264492.db2.gz AGXYRZQOCFUJAN-IEBWSBKVSA-N 1 3 309.457 3.135 20 10 DGCDHO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235928614 1099265018 /nfs/dbraw/zinc/26/50/18/1099265018.db2.gz BCWLVAGFOVWCQI-RBUKOAKNSA-N 1 3 309.457 3.135 20 10 DGCDHO N[C@@]12CC[C@@H]1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985539 1099311902 /nfs/dbraw/zinc/31/19/02/1099311902.db2.gz CTICOXQLMXHYDZ-VQIMIIECSA-N 1 3 312.388 3.121 20 10 DGCDHO N[C@@]12CC[C@@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985539 1099311912 /nfs/dbraw/zinc/31/19/12/1099311912.db2.gz CTICOXQLMXHYDZ-VQIMIIECSA-N 1 3 312.388 3.121 20 10 DGCDHO CCN(Cc1ccc(N(C)C)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236408965 1099581879 /nfs/dbraw/zinc/58/18/79/1099581879.db2.gz QRIPZGIAFKDOCY-INIZCTEOSA-N 1 3 311.473 3.337 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236598245 1099695218 /nfs/dbraw/zinc/69/52/18/1099695218.db2.gz JETZEWLCAAYVIU-SFHVURJKSA-N 1 3 313.489 3.251 20 10 DGCDHO CC(C)c1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)c(O)c1 ZINC001236601616 1099697801 /nfs/dbraw/zinc/69/78/01/1099697801.db2.gz NRAYWXZZDCHRIM-HNNXBMFYSA-N 1 3 302.462 3.480 20 10 DGCDHO CCCN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835697 1099824525 /nfs/dbraw/zinc/82/45/25/1099824525.db2.gz OYRIUWRVPVQGMT-IBGZPJMESA-N 1 3 315.505 3.498 20 10 DGCDHO Cc1ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c([O-])c1 ZINC001236961948 1099891772 /nfs/dbraw/zinc/89/17/72/1099891772.db2.gz QFWWKOVAQJBBLT-UHFFFAOYSA-N 1 3 302.462 3.302 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc21 ZINC001237384424 1100103786 /nfs/dbraw/zinc/10/37/86/1100103786.db2.gz WRJGEBHPUWNRHG-YLJYHZDGSA-N 1 3 323.484 3.480 20 10 DGCDHO C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1[O-])Cc1ccccc12 ZINC001275266656 1104698287 /nfs/dbraw/zinc/69/82/87/1104698287.db2.gz CBDBOGIRMFWYJG-UHFFFAOYSA-N 1 3 322.452 3.371 20 10 DGCDHO C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1[O-])Cc1ccccc12 ZINC001275266656 1104698292 /nfs/dbraw/zinc/69/82/92/1104698292.db2.gz CBDBOGIRMFWYJG-UHFFFAOYSA-N 1 3 322.452 3.371 20 10 DGCDHO CN1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001254501031 1106083137 /nfs/dbraw/zinc/08/31/37/1106083137.db2.gz PELCACYYHRIBBB-GOSISDBHSA-N 1 3 301.478 3.251 20 10 DGCDHO C[N@@H+]1CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)CC1 ZINC001254501031 1106083144 /nfs/dbraw/zinc/08/31/44/1106083144.db2.gz PELCACYYHRIBBB-GOSISDBHSA-N 1 3 301.478 3.251 20 10 DGCDHO C[N@H+]1CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)CC1 ZINC001254501031 1106083149 /nfs/dbraw/zinc/08/31/49/1106083149.db2.gz PELCACYYHRIBBB-GOSISDBHSA-N 1 3 301.478 3.251 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC001320876920 1107171359 /nfs/dbraw/zinc/17/13/59/1107171359.db2.gz UAFNTGMATNLLCN-VQIMIIECSA-N 1 3 303.494 3.305 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC001320876920 1107171365 /nfs/dbraw/zinc/17/13/65/1107171365.db2.gz UAFNTGMATNLLCN-VQIMIIECSA-N 1 3 303.494 3.305 20 10 DGCDHO CCN(C)c1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152401307 432330652 /nfs/dbraw/zinc/33/06/52/432330652.db2.gz OIAZLITVAMVKEV-CVEARBPZSA-N 1 3 301.478 3.278 20 10 DGCDHO CCN(C)c1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152401307 432330656 /nfs/dbraw/zinc/33/06/56/432330656.db2.gz OIAZLITVAMVKEV-CVEARBPZSA-N 1 3 301.478 3.278 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000192848123 432420498 /nfs/dbraw/zinc/42/04/98/432420498.db2.gz YPPKSZXMOBCMMM-ALOPSCKCSA-N 1 3 319.468 3.387 20 10 DGCDHO C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000295828958 434439483 /nfs/dbraw/zinc/43/94/83/434439483.db2.gz DUXTXSUYVVCXKO-WBVHZDCISA-N 1 3 302.462 3.481 20 10 DGCDHO C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000295828958 434439489 /nfs/dbraw/zinc/43/94/89/434439489.db2.gz DUXTXSUYVVCXKO-WBVHZDCISA-N 1 3 302.462 3.481 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1F ZINC000740002021 574918013 /nfs/dbraw/zinc/91/80/13/574918013.db2.gz KXLJHGNZRMWNLA-UHFFFAOYSA-N 1 3 309.473 3.349 20 10 DGCDHO Cc1cc(O)c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1C ZINC000853093059 620667473 /nfs/dbraw/zinc/66/74/73/620667473.db2.gz AONGTRMGSCMCSO-QGZVFWFLSA-N 1 3 302.462 3.221 20 10 DGCDHO Cc1cc(O)c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000853093059 620667475 /nfs/dbraw/zinc/66/74/75/620667475.db2.gz AONGTRMGSCMCSO-QGZVFWFLSA-N 1 3 302.462 3.221 20 10 DGCDHO Cc1cc(O)c(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1C ZINC000853093058 620667522 /nfs/dbraw/zinc/66/75/22/620667522.db2.gz AONGTRMGSCMCSO-KRWDZBQOSA-N 1 3 302.462 3.221 20 10 DGCDHO Cc1cc(O)c(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000853093058 620667525 /nfs/dbraw/zinc/66/75/25/620667525.db2.gz AONGTRMGSCMCSO-KRWDZBQOSA-N 1 3 302.462 3.221 20 10 DGCDHO C[NH+]1CCC(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000891393146 617790950 /nfs/dbraw/zinc/79/09/50/617790950.db2.gz AAXIHCZAFWFUHQ-UHFFFAOYSA-N 1 3 314.429 3.329 20 10 DGCDHO C[NH+]1CCC(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000891393146 617790951 /nfs/dbraw/zinc/79/09/51/617790951.db2.gz AAXIHCZAFWFUHQ-UHFFFAOYSA-N 1 3 314.429 3.329 20 10 DGCDHO Cc1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923365136 621178919 /nfs/dbraw/zinc/17/89/19/621178919.db2.gz UALFGMBVYOKIOP-IEBWSBKVSA-N 1 3 301.478 3.025 20 10 DGCDHO CCN(CC)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000770350974 622624027 /nfs/dbraw/zinc/62/40/27/622624027.db2.gz HJPYXURMEHTWAI-UYAOXDASSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(CC)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000770350974 622624029 /nfs/dbraw/zinc/62/40/29/622624029.db2.gz HJPYXURMEHTWAI-UYAOXDASSA-N 1 3 315.505 3.449 20 10 DGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057649 627620115 /nfs/dbraw/zinc/62/01/15/627620115.db2.gz WHZDQAACGPYWBQ-WMZOPIPTSA-N 1 3 303.494 3.366 20 10 DGCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057649 627620119 /nfs/dbraw/zinc/62/01/19/627620119.db2.gz WHZDQAACGPYWBQ-WMZOPIPTSA-N 1 3 303.494 3.366 20 10 DGCDHO [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000925880784 627811049 /nfs/dbraw/zinc/81/10/49/627811049.db2.gz BHVJEDZVAPWISH-ABSDTBQOSA-N 1 3 308.425 3.028 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817897833 627955460 /nfs/dbraw/zinc/95/54/60/627955460.db2.gz CCMLFNBVIGKVIZ-HSALFYBXSA-N 1 3 313.489 3.297 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc21 ZINC000817901768 627957240 /nfs/dbraw/zinc/95/72/40/627957240.db2.gz YHSDSKCOXUXYOW-GUDVDZBRSA-N 1 3 313.489 3.079 20 10 DGCDHO CN(C)c1ccc(/C=C/C[NH2+]CCCN2CCCCC2)cc1 ZINC000835035051 629830685 /nfs/dbraw/zinc/83/06/85/629830685.db2.gz DKGVSSVDPZQVLO-SOFGYWHQSA-N 1 3 301.478 3.231 20 10 DGCDHO COc1cc(Cl)cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1[O-] ZINC000841028923 630398337 /nfs/dbraw/zinc/39/83/37/630398337.db2.gz IHZAQFPGPXNCFO-LLVKDONJSA-N 1 3 320.820 3.364 20 10 DGCDHO C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000841100273 630407908 /nfs/dbraw/zinc/40/79/08/630407908.db2.gz AQYPQJARHGPTTP-FUHWJXTLSA-N 1 3 301.478 3.094 20 10 DGCDHO C[C@@H](N)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046677 630608267 /nfs/dbraw/zinc/60/82/67/630608267.db2.gz YWAADUWUUYTZKT-VQIMIIECSA-N 1 3 301.478 3.379 20 10 DGCDHO C[C@@H](N)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046677 630608268 /nfs/dbraw/zinc/60/82/68/630608268.db2.gz YWAADUWUUYTZKT-VQIMIIECSA-N 1 3 301.478 3.379 20 10 DGCDHO Cc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2F)c(O)c1C ZINC000844925197 630988248 /nfs/dbraw/zinc/98/82/48/630988248.db2.gz RXAOULGNOHPXFS-ZDUSSCGKSA-N 1 3 302.393 3.458 20 10 DGCDHO CCOc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c([O-])c1 ZINC000849350797 631901588 /nfs/dbraw/zinc/90/15/88/631901588.db2.gz WSLJPAUVTOGLCP-MRXNPFEDSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c([O-])c1 ZINC000849350797 631901591 /nfs/dbraw/zinc/90/15/91/631901591.db2.gz WSLJPAUVTOGLCP-MRXNPFEDSA-N 1 3 318.461 3.003 20 10 DGCDHO CN1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434403 655632574 /nfs/dbraw/zinc/63/25/74/655632574.db2.gz WSYMHDFXUPCKEP-MJGOQNOKSA-N 1 3 314.473 3.187 20 10 DGCDHO CN1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434403 655632577 /nfs/dbraw/zinc/63/25/77/655632577.db2.gz WSYMHDFXUPCKEP-MJGOQNOKSA-N 1 3 314.473 3.187 20 10 DGCDHO CC[NH+]1C[C@@H]2CN(Cc3ccc(N(C)C)c4ccccc34)C[C@H]2C1 ZINC001204241016 1090932537 /nfs/dbraw/zinc/93/25/37/1090932537.db2.gz RIBSYOHEFXLEPW-QZTJIDSGSA-N 1 3 323.484 3.289 20 10 DGCDHO CCN1C[C@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222301 1091120410 /nfs/dbraw/zinc/12/04/10/1091120410.db2.gz QVFWLKSLYOESHH-OALUTQOASA-N 1 3 313.489 3.060 20 10 DGCDHO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139255242 1091502003 /nfs/dbraw/zinc/50/20/03/1091502003.db2.gz OMRLRZZXBLQKBE-CABCVRRESA-N 1 3 320.477 3.330 20 10 DGCDHO COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139255242 1091502010 /nfs/dbraw/zinc/50/20/10/1091502010.db2.gz OMRLRZZXBLQKBE-CABCVRRESA-N 1 3 320.477 3.330 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c([O-])c1 ZINC001206554153 1091667681 /nfs/dbraw/zinc/66/76/81/1091667681.db2.gz BDWMPMSSGCPJKV-IBGZPJMESA-N 1 3 319.493 3.189 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c([O-])c1 ZINC001206554153 1091667676 /nfs/dbraw/zinc/66/76/76/1091667676.db2.gz BDWMPMSSGCPJKV-IBGZPJMESA-N 1 3 319.493 3.189 20 10 DGCDHO C[NH+]1CCC(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)CC1 ZINC001140055344 1091751934 /nfs/dbraw/zinc/75/19/34/1091751934.db2.gz SJBJJFDRBSKQBU-UHFFFAOYSA-N 1 3 306.425 3.085 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140301093 1091818110 /nfs/dbraw/zinc/81/81/10/1091818110.db2.gz YTCJXPNOXHUSGZ-KDURUIRLSA-N 1 3 313.489 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140301093 1091818121 /nfs/dbraw/zinc/81/81/21/1091818121.db2.gz YTCJXPNOXHUSGZ-KDURUIRLSA-N 1 3 313.489 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3CCC(C)(F)CC3)cc2)CC1 ZINC001140302022 1091818424 /nfs/dbraw/zinc/81/84/24/1091818424.db2.gz HPSBPFBLRATTEM-UHFFFAOYSA-N 1 3 319.468 3.153 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC001140300426 1091818750 /nfs/dbraw/zinc/81/87/50/1091818750.db2.gz PHYVSRWKQBYTGH-KRWDZBQOSA-N 1 3 301.478 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC001140300426 1091818758 /nfs/dbraw/zinc/81/87/58/1091818758.db2.gz PHYVSRWKQBYTGH-KRWDZBQOSA-N 1 3 301.478 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(CF)C3)cc2)CC1 ZINC001140302645 1091819762 /nfs/dbraw/zinc/81/97/62/1091819762.db2.gz WTELZVKYNLLVMM-IBGZPJMESA-N 1 3 319.468 3.010 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@](C)(CF)C3)cc2)CC1 ZINC001140302645 1091819766 /nfs/dbraw/zinc/81/97/66/1091819766.db2.gz WTELZVKYNLLVMM-IBGZPJMESA-N 1 3 319.468 3.010 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)CC(C)(C)C)cc2)CC1 ZINC001140304740 1091820651 /nfs/dbraw/zinc/82/06/51/1091820651.db2.gz ZWRRQMFUVLKCDE-UHFFFAOYSA-N 1 3 303.494 3.306 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)CC(C)(C)C)cc2)CC1 ZINC001140304740 1091820658 /nfs/dbraw/zinc/82/06/58/1091820658.db2.gz ZWRRQMFUVLKCDE-UHFFFAOYSA-N 1 3 303.494 3.306 20 10 DGCDHO Cc1ccc(O)c(C[NH+]2CCC(N3CCC(F)CC3)CC2)c1 ZINC001140623423 1091935284 /nfs/dbraw/zinc/93/52/84/1091935284.db2.gz RVIDFOPNEPZOIH-UHFFFAOYSA-N 1 3 306.425 3.099 20 10 DGCDHO Cc1c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001276557125 1092204375 /nfs/dbraw/zinc/20/43/75/1092204375.db2.gz VSMUHPFBMHBPGF-FQEVSTJZSA-N 1 3 311.473 3.404 20 10 DGCDHO Cc1c(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001276557125 1092204380 /nfs/dbraw/zinc/20/43/80/1092204380.db2.gz VSMUHPFBMHBPGF-FQEVSTJZSA-N 1 3 311.473 3.404 20 10 DGCDHO C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000316426120 1095173069 /nfs/dbraw/zinc/17/30/69/1095173069.db2.gz BETZFULSCWCIOO-FUHWJXTLSA-N 1 3 301.478 3.249 20 10 DGCDHO C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000316426120 1095173073 /nfs/dbraw/zinc/17/30/73/1095173073.db2.gz BETZFULSCWCIOO-FUHWJXTLSA-N 1 3 301.478 3.249 20 10 DGCDHO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235157023 1098844200 /nfs/dbraw/zinc/84/42/00/1098844200.db2.gz PXGHGSDBIMKSGT-SFHVURJKSA-N 1 3 318.461 3.063 20 10 DGCDHO COc1cc(C)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235157023 1098844209 /nfs/dbraw/zinc/84/42/09/1098844209.db2.gz PXGHGSDBIMKSGT-SFHVURJKSA-N 1 3 318.461 3.063 20 10 DGCDHO Nc1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235385201 1098989445 /nfs/dbraw/zinc/98/94/45/1098989445.db2.gz UCNPIMPMHKQSPA-TZIWHRDSSA-N 1 3 321.468 3.022 20 10 DGCDHO Cc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c([O-])c1 ZINC001236377251 1099565059 /nfs/dbraw/zinc/56/50/59/1099565059.db2.gz ZZMZRTOJQNCFIJ-MRXNPFEDSA-N 1 3 302.462 3.445 20 10 DGCDHO Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c([O-])c1 ZINC001236377251 1099565068 /nfs/dbraw/zinc/56/50/68/1099565068.db2.gz ZZMZRTOJQNCFIJ-MRXNPFEDSA-N 1 3 302.462 3.445 20 10 DGCDHO CCOc1cccc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1O ZINC001275271760 1104697767 /nfs/dbraw/zinc/69/77/67/1104697767.db2.gz XSNFIOUOKGVSPE-LJQANCHMSA-N 1 3 318.461 3.099 20 10 DGCDHO CCOc1cccc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1O ZINC001275271760 1104697773 /nfs/dbraw/zinc/69/77/73/1104697773.db2.gz XSNFIOUOKGVSPE-LJQANCHMSA-N 1 3 318.461 3.099 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC001320876918 1107172045 /nfs/dbraw/zinc/17/20/45/1107172045.db2.gz UAFNTGMATNLLCN-LPHOPBHVSA-N 1 3 303.494 3.305 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC001320876918 1107172048 /nfs/dbraw/zinc/17/20/48/1107172048.db2.gz UAFNTGMATNLLCN-LPHOPBHVSA-N 1 3 303.494 3.305 20 10 DGCDHO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000185206424 432477628 /nfs/dbraw/zinc/47/76/28/432477628.db2.gz NBPPNTJKIWOKNP-IXDOHACOSA-N 1 3 320.477 3.241 20 10 DGCDHO COc1ccc(O)c([C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000186545745 432605367 /nfs/dbraw/zinc/60/53/67/432605367.db2.gz ZACDAZUGMJXWDO-LSDHHAIUSA-N 1 3 306.450 3.316 20 10 DGCDHO CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295792564 434436406 /nfs/dbraw/zinc/43/64/06/434436406.db2.gz BRFLOBPIQCZSBS-QGZVFWFLSA-N 1 3 302.462 3.481 20 10 DGCDHO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000527528532 435012803 /nfs/dbraw/zinc/01/28/03/435012803.db2.gz YBYQSAZMKRRVJX-UHFFFAOYSA-N 1 3 311.473 3.451 20 10 DGCDHO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000185358133 534204762 /nfs/dbraw/zinc/20/47/62/534204762.db2.gz VRNFCQFVBSHSEP-GJZGRUSLSA-N 1 3 306.450 3.172 20 10 DGCDHO CCCC[N@H+](C)CC1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000179685208 528339610 /nfs/dbraw/zinc/33/96/10/528339610.db2.gz RYGLLKSNJUJXTG-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000179685208 528339615 /nfs/dbraw/zinc/33/96/15/528339615.db2.gz RYGLLKSNJUJXTG-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO CCOc1cccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c1O ZINC000853093189 620667487 /nfs/dbraw/zinc/66/74/87/620667487.db2.gz DMTUNGDMHHJGOZ-MRXNPFEDSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1cccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853093189 620667490 /nfs/dbraw/zinc/66/74/90/620667490.db2.gz DMTUNGDMHHJGOZ-MRXNPFEDSA-N 1 3 318.461 3.003 20 10 DGCDHO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925779996 618617765 /nfs/dbraw/zinc/61/77/65/618617765.db2.gz DDGXGXMXQBJNHJ-DZGCQCFKSA-N 1 3 311.420 3.038 20 10 DGCDHO C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000129226905 625560729 /nfs/dbraw/zinc/56/07/29/625560729.db2.gz AKRPREMIDIUEGI-APWZRJJASA-N 1 3 310.441 3.462 20 10 DGCDHO C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000129226905 625560734 /nfs/dbraw/zinc/56/07/34/625560734.db2.gz AKRPREMIDIUEGI-APWZRJJASA-N 1 3 310.441 3.462 20 10 DGCDHO C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000129226905 625560739 /nfs/dbraw/zinc/56/07/39/625560739.db2.gz AKRPREMIDIUEGI-APWZRJJASA-N 1 3 310.441 3.462 20 10 DGCDHO C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000129226905 625560749 /nfs/dbraw/zinc/56/07/49/625560749.db2.gz AKRPREMIDIUEGI-APWZRJJASA-N 1 3 310.441 3.462 20 10 DGCDHO CC(C)N(CC[C@H]1CCC[N@@H+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349426 622392218 /nfs/dbraw/zinc/39/22/18/622392218.db2.gz SZSTUBPYMQGPPZ-LJQANCHMSA-N 1 3 303.494 3.447 20 10 DGCDHO CC(C)N(CC[C@H]1CCC[N@H+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349426 622392222 /nfs/dbraw/zinc/39/22/22/622392222.db2.gz SZSTUBPYMQGPPZ-LJQANCHMSA-N 1 3 303.494 3.447 20 10 DGCDHO CCN(CC)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000770350964 622623339 /nfs/dbraw/zinc/62/33/39/622623339.db2.gz HJPYXURMEHTWAI-AZUAARDMSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(CC)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000770350964 622623344 /nfs/dbraw/zinc/62/33/44/622623344.db2.gz HJPYXURMEHTWAI-AZUAARDMSA-N 1 3 315.505 3.449 20 10 DGCDHO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C)C2)cc1C(C)C ZINC000872725335 622960298 /nfs/dbraw/zinc/96/02/98/622960298.db2.gz RSLOWICQZYQYLT-MAUKXSAKSA-N 1 3 302.462 3.350 20 10 DGCDHO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCN3C)C2)cc1C(C)C ZINC000872725335 622960305 /nfs/dbraw/zinc/96/03/05/622960305.db2.gz RSLOWICQZYQYLT-MAUKXSAKSA-N 1 3 302.462 3.350 20 10 DGCDHO CN(C)c1ccc(CN(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873202521 623073254 /nfs/dbraw/zinc/07/32/54/623073254.db2.gz YDSCARGONNVIEE-UHFFFAOYSA-N 1 3 315.486 3.092 20 10 DGCDHO CC[N@H+](CCCN1CCCC1)Cc1ccc(N(C)C)c(F)c1 ZINC000809749211 626946684 /nfs/dbraw/zinc/94/66/84/626946684.db2.gz CTOWQODEKBRKMW-UHFFFAOYSA-N 1 3 307.457 3.200 20 10 DGCDHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(N(C)C)c(F)c1 ZINC000809749211 626946686 /nfs/dbraw/zinc/94/66/86/626946686.db2.gz CTOWQODEKBRKMW-UHFFFAOYSA-N 1 3 307.457 3.200 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817893620 627954759 /nfs/dbraw/zinc/95/47/59/627954759.db2.gz GHQGAXHROMKICN-VAMGGRTRSA-N 1 3 315.505 3.461 20 10 DGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918609 630377904 /nfs/dbraw/zinc/37/79/04/630377904.db2.gz WPYZFDVNIPAARU-QFBILLFUSA-N 1 3 303.494 3.366 20 10 DGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918609 630377905 /nfs/dbraw/zinc/37/79/05/630377905.db2.gz WPYZFDVNIPAARU-QFBILLFUSA-N 1 3 303.494 3.366 20 10 DGCDHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(N)cc2)CC1 ZINC000841033881 630399184 /nfs/dbraw/zinc/39/91/84/630399184.db2.gz CSEZILQTKKIYCD-UZLBHIALSA-N 1 3 315.505 3.444 20 10 DGCDHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc(N)cc3)CC2)C1 ZINC000841034702 630400070 /nfs/dbraw/zinc/40/00/70/630400070.db2.gz JSPJGNAWCJJUHM-JXFKEZNVSA-N 1 3 315.505 3.444 20 10 DGCDHO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000843056454 630609398 /nfs/dbraw/zinc/60/93/98/630609398.db2.gz KKWZEALIKIJVSM-LJQANCHMSA-N 1 3 303.494 3.482 20 10 DGCDHO CCc1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000848887997 631773035 /nfs/dbraw/zinc/77/30/35/631773035.db2.gz KBVDTRFPPDOHLW-INIZCTEOSA-N 1 3 302.462 3.262 20 10 DGCDHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538313 662235537 /nfs/dbraw/zinc/23/55/37/662235537.db2.gz JUGXUYLLKPDOGL-HKUYNNGSSA-N 1 3 314.473 3.187 20 10 DGCDHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538313 662235538 /nfs/dbraw/zinc/23/55/38/662235538.db2.gz JUGXUYLLKPDOGL-HKUYNNGSSA-N 1 3 314.473 3.187 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246028676 662245990 /nfs/dbraw/zinc/24/59/90/662245990.db2.gz ABJHBJQANGVAIB-QFBILLFUSA-N 1 3 303.494 3.353 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246028676 662245992 /nfs/dbraw/zinc/24/59/92/662245992.db2.gz ABJHBJQANGVAIB-QFBILLFUSA-N 1 3 303.494 3.353 20 10 DGCDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001473965237 1183839977 /nfs/dbraw/zinc/83/99/77/1183839977.db2.gz XRNIPOMWRLMOPT-GOSISDBHSA-N 1 3 301.478 3.108 20 10 DGCDHO CCC[N@@H+]1CC[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001560291569 1189306316 /nfs/dbraw/zinc/30/63/16/1189306316.db2.gz WQJSTSOVPWNIBX-GOSISDBHSA-N 1 3 301.478 3.108 20 10 DGCDHO CCC[N@H+]1CC[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001560291569 1189306320 /nfs/dbraw/zinc/30/63/20/1189306320.db2.gz WQJSTSOVPWNIBX-GOSISDBHSA-N 1 3 301.478 3.108 20 10 DGCDHO Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1O ZINC001167972733 1085911795 /nfs/dbraw/zinc/91/17/95/1085911795.db2.gz AKPVXKWPMAMMPB-AYHJJNSGSA-N 1 3 300.446 3.196 20 10 DGCDHO Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1O ZINC001167972733 1085911800 /nfs/dbraw/zinc/91/18/00/1085911800.db2.gz AKPVXKWPMAMMPB-AYHJJNSGSA-N 1 3 300.446 3.196 20 10 DGCDHO CC[NH+]1C[C@H]2CN(Cc3ccc(N(C)C)c4ccccc34)C[C@@H]2C1 ZINC001204241017 1090932289 /nfs/dbraw/zinc/93/22/89/1090932289.db2.gz RIBSYOHEFXLEPW-ROUUACIJSA-N 1 3 323.484 3.289 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H](C)C3)cc2)CC1 ZINC001140301933 1091818908 /nfs/dbraw/zinc/81/89/08/1091818908.db2.gz DRMRECCNMKKKSU-GOSISDBHSA-N 1 3 315.505 3.451 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@@H](C)C3)cc2)CC1 ZINC001140301933 1091818915 /nfs/dbraw/zinc/81/89/15/1091818915.db2.gz DRMRECCNMKKKSU-GOSISDBHSA-N 1 3 315.505 3.451 20 10 DGCDHO Nc1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235385198 1098990248 /nfs/dbraw/zinc/99/02/48/1098990248.db2.gz UCNPIMPMHKQSPA-FPOVZHCZSA-N 1 3 321.468 3.022 20 10 DGCDHO CC(C)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c([O-])c1 ZINC001235887634 1099234539 /nfs/dbraw/zinc/23/45/39/1099234539.db2.gz HSBCERWBAXGYHP-GOSISDBHSA-N 1 3 302.462 3.480 20 10 DGCDHO Cc1ccc([O-])c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375391 1099562701 /nfs/dbraw/zinc/56/27/01/1099562701.db2.gz JVENNAACJIZAFK-MRXNPFEDSA-N 1 3 302.462 3.445 20 10 DGCDHO Cc1ccc([O-])c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375391 1099562714 /nfs/dbraw/zinc/56/27/14/1099562714.db2.gz JVENNAACJIZAFK-MRXNPFEDSA-N 1 3 302.462 3.445 20 10 DGCDHO CC(C)c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c([O-])c1 ZINC001237049268 1099944865 /nfs/dbraw/zinc/94/48/65/1099944865.db2.gz MXJJHAPLBHMGIG-UHFFFAOYSA-N 1 3 302.462 3.433 20 10 DGCDHO CC(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c([O-])c1 ZINC001237049268 1099944875 /nfs/dbraw/zinc/94/48/75/1099944875.db2.gz MXJJHAPLBHMGIG-UHFFFAOYSA-N 1 3 302.462 3.433 20 10 DGCDHO C[NH2+][C@@H](C)CCN[C@@H](C)c1cc(Br)cc(C)c1O ZINC001326035744 1103188614 /nfs/dbraw/zinc/18/86/14/1103188614.db2.gz MEMAXTPTTKJAEH-QWRGUYRKSA-N 1 3 315.255 3.112 20 10 DGCDHO c1ccc(C[C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CCN2)cc1 ZINC001246199216 1104434351 /nfs/dbraw/zinc/43/43/51/1104434351.db2.gz KRYLOTLXBVNDDT-WOJBJXKFSA-N 1 3 322.452 3.074 20 10 DGCDHO C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001324745710 1108449405 /nfs/dbraw/zinc/44/94/05/1108449405.db2.gz FAKPBHBRIYQZLQ-VQIMIIECSA-N 1 3 301.478 3.201 20 10 DGCDHO C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001324745710 1108449410 /nfs/dbraw/zinc/44/94/10/1108449410.db2.gz FAKPBHBRIYQZLQ-VQIMIIECSA-N 1 3 301.478 3.201 20 10 DGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717059 1108608099 /nfs/dbraw/zinc/60/80/99/1108608099.db2.gz KGKAYNOIMZDCOT-FXAWDEMLSA-N 1 3 315.505 3.449 20 10 DGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717059 1108608104 /nfs/dbraw/zinc/60/81/04/1108608104.db2.gz KGKAYNOIMZDCOT-FXAWDEMLSA-N 1 3 315.505 3.449 20 10 DGCDHO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000272742558 130059804 /nfs/dbraw/zinc/05/98/04/130059804.db2.gz BFSUCUKWTQXJHO-SJLPKXTDSA-N 1 3 315.505 3.495 20 10 DGCDHO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000185206461 432477851 /nfs/dbraw/zinc/47/78/51/432477851.db2.gz NBPPNTJKIWOKNP-BRWVUGGUSA-N 1 3 320.477 3.241 20 10 DGCDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280166367 433009102 /nfs/dbraw/zinc/00/91/02/433009102.db2.gz QYTYHOOKYAHHSD-RDJZCZTQSA-N 1 3 308.466 3.098 20 10 DGCDHO COc1cccc([O-])c1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904412465 619921101 /nfs/dbraw/zinc/92/11/01/619921101.db2.gz UCLPADWGVIRZSV-HNNXBMFYSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(O)c(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000769469588 622530323 /nfs/dbraw/zinc/53/03/23/622530323.db2.gz AOIRVRAZZOMTDU-GOEBONIOSA-N 1 3 306.450 3.096 20 10 DGCDHO CCOc1ccc(O)c(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000769469588 622530325 /nfs/dbraw/zinc/53/03/25/622530325.db2.gz AOIRVRAZZOMTDU-GOEBONIOSA-N 1 3 306.450 3.096 20 10 DGCDHO CCN(CC)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000770350972 622623041 /nfs/dbraw/zinc/62/30/41/622623041.db2.gz HJPYXURMEHTWAI-QUCCMNQESA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(CC)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000770350972 622623048 /nfs/dbraw/zinc/62/30/48/622623048.db2.gz HJPYXURMEHTWAI-QUCCMNQESA-N 1 3 315.505 3.449 20 10 DGCDHO CC[C@@H]([NH2+]CCCN(C)CCOC)c1cc(Cl)ccc1O ZINC000775491624 623280166 /nfs/dbraw/zinc/28/01/66/623280166.db2.gz GFWBLTQLPXPSFH-OAHLLOKOSA-N 1 3 314.857 3.055 20 10 DGCDHO Cc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c([O-])c1 ZINC000877137194 623803105 /nfs/dbraw/zinc/80/31/05/623803105.db2.gz RUIISGXQZHUEHM-UHFFFAOYSA-N 1 3 311.429 3.102 20 10 DGCDHO CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccccc1[O-] ZINC000810252338 626992910 /nfs/dbraw/zinc/99/29/10/626992910.db2.gz BXLOXUFBBHEHPQ-HNNXBMFYSA-N 1 3 308.491 3.260 20 10 DGCDHO COc1cc(C)cc(CN(C)C2CC[NH+](C(C)C)CC2)c1O ZINC000887562284 627286514 /nfs/dbraw/zinc/28/65/14/627286514.db2.gz PYDJBKAUMYPEEJ-UHFFFAOYSA-N 1 3 306.450 3.014 20 10 DGCDHO CC[NH2+]CCCN[C@H](C)c1cc(Br)cc(C)c1O ZINC000817943422 627969488 /nfs/dbraw/zinc/96/94/88/627969488.db2.gz NDXYFJJXAOJSPN-LLVKDONJSA-N 1 3 315.255 3.113 20 10 DGCDHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817946476 627970824 /nfs/dbraw/zinc/97/08/24/627970824.db2.gz XYSLWWIVSZKJLV-SJORKVTESA-N 1 3 301.478 3.327 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2c1c(F)ccc2[O-] ZINC000817950253 627972194 /nfs/dbraw/zinc/97/21/94/627972194.db2.gz XDFSHVSVVMAAMJ-WBMJQRKESA-N 1 3 314.404 3.371 20 10 DGCDHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(N2CCCCC2)cc1 ZINC000817969088 627978728 /nfs/dbraw/zinc/97/87/28/627978728.db2.gz QZRWJUPJVPJBPP-WMZOPIPTSA-N 1 3 301.478 3.470 20 10 DGCDHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(N2CCCCC2)cc1 ZINC000817969087 627979109 /nfs/dbraw/zinc/97/91/09/627979109.db2.gz QZRWJUPJVPJBPP-SJLPKXTDSA-N 1 3 301.478 3.470 20 10 DGCDHO Cc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2F)c(O)c1C ZINC000844925196 630987949 /nfs/dbraw/zinc/98/79/49/630987949.db2.gz RXAOULGNOHPXFS-CYBMUJFWSA-N 1 3 302.393 3.458 20 10 DGCDHO [O-]c1cccc2c1[C@@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000850582759 632202040 /nfs/dbraw/zinc/20/20/40/632202040.db2.gz LCFYEHMWMLILJU-KRWDZBQOSA-N 1 3 300.446 3.091 20 10 DGCDHO Cc1cc(C)c(O)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000164408876 658934705 /nfs/dbraw/zinc/93/47/05/658934705.db2.gz URYFBCPKPLKMLP-QGZVFWFLSA-N 1 3 302.462 3.317 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066056 662327338 /nfs/dbraw/zinc/32/73/38/662327338.db2.gz UECOEFAOGXPMQS-XLIONFOSSA-N 1 3 313.489 3.201 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066056 662327339 /nfs/dbraw/zinc/32/73/39/662327339.db2.gz UECOEFAOGXPMQS-XLIONFOSSA-N 1 3 313.489 3.201 20 10 DGCDHO CC[NH+](CC)CC1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001651889146 1195519877 /nfs/dbraw/zinc/51/98/77/1195519877.db2.gz ZCWKNFBAIUVQEF-UHFFFAOYSA-N 1 3 320.477 3.263 20 10 DGCDHO Cc1cc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccc1N(C)C ZINC001659975370 1196433835 /nfs/dbraw/zinc/43/38/35/1196433835.db2.gz LRTGTSBWCRSCEY-KRWDZBQOSA-N 1 3 324.472 3.167 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC(C)(C)C3)cc2)CC1 ZINC001140304582 1082124199 /nfs/dbraw/zinc/12/41/99/1082124199.db2.gz VQXHNHVFKDPFPY-UHFFFAOYSA-N 1 3 301.478 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC(C)(C)C3)cc2)CC1 ZINC001140304582 1082124203 /nfs/dbraw/zinc/12/42/03/1082124203.db2.gz VQXHNHVFKDPFPY-UHFFFAOYSA-N 1 3 301.478 3.060 20 10 DGCDHO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c1 ZINC001203680187 1090778853 /nfs/dbraw/zinc/77/88/53/1090778853.db2.gz JHQOJEVRYYOQQU-IRXDYDNUSA-N 1 3 318.461 3.240 20 10 DGCDHO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c1 ZINC001203680187 1090778857 /nfs/dbraw/zinc/77/88/57/1090778857.db2.gz JHQOJEVRYYOQQU-IRXDYDNUSA-N 1 3 318.461 3.240 20 10 DGCDHO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@@H]1C[NH3+] ZINC001206026839 1091456848 /nfs/dbraw/zinc/45/68/48/1091456848.db2.gz UIDLYTIBRZSFHV-NWDGAFQWSA-N 1 3 316.367 3.218 20 10 DGCDHO C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CCC[C@@H]1C[NH3+] ZINC001206026839 1091456852 /nfs/dbraw/zinc/45/68/52/1091456852.db2.gz UIDLYTIBRZSFHV-NWDGAFQWSA-N 1 3 316.367 3.218 20 10 DGCDHO COc1cc(CN2CC[C@H](C)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139258228 1091503296 /nfs/dbraw/zinc/50/32/96/1091503296.db2.gz NBUPKHJDSSTALT-UONOGXRCSA-N 1 3 306.450 3.083 20 10 DGCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](CN)C2)c2ccccc21 ZINC001206615930 1091690073 /nfs/dbraw/zinc/69/00/73/1091690073.db2.gz KLZASHPWDCYUQB-MRXNPFEDSA-N 1 3 311.473 3.467 20 10 DGCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@H](CN)C2)c2ccccc21 ZINC001206615930 1091690079 /nfs/dbraw/zinc/69/00/79/1091690079.db2.gz KLZASHPWDCYUQB-MRXNPFEDSA-N 1 3 311.473 3.467 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](F)CC3)cc2)CC1 ZINC001140302513 1091819712 /nfs/dbraw/zinc/81/97/12/1091819712.db2.gz SRTPOCZSNSHETP-SFHVURJKSA-N 1 3 319.468 3.153 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](F)CC3)cc2)CC1 ZINC001140302513 1091819716 /nfs/dbraw/zinc/81/97/16/1091819716.db2.gz SRTPOCZSNSHETP-SFHVURJKSA-N 1 3 319.468 3.153 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC4CCC3CC4)cc2)CC1 ZINC001140304284 1091820031 /nfs/dbraw/zinc/82/00/31/1091820031.db2.gz LXMRBWUKNUGLEY-UHFFFAOYSA-N 1 3 313.489 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CC4CCC3CC4)cc2)CC1 ZINC001140304284 1091820039 /nfs/dbraw/zinc/82/00/39/1091820039.db2.gz LXMRBWUKNUGLEY-UHFFFAOYSA-N 1 3 313.489 3.203 20 10 DGCDHO CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140305550 1091820697 /nfs/dbraw/zinc/82/06/97/1091820697.db2.gz BWABOIUBRZYYBJ-GOSISDBHSA-N 1 3 315.505 3.451 20 10 DGCDHO CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140305550 1091820710 /nfs/dbraw/zinc/82/07/10/1091820710.db2.gz BWABOIUBRZYYBJ-GOSISDBHSA-N 1 3 315.505 3.451 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC001140306222 1091820839 /nfs/dbraw/zinc/82/08/39/1091820839.db2.gz PVALHLFPQBRZIO-ROUUACIJSA-N 1 3 315.505 3.306 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3CC4(C3)CCCC4)cc2)CC1 ZINC001140302139 1091820939 /nfs/dbraw/zinc/82/09/39/1091820939.db2.gz LDBOREPIPMYFIQ-UHFFFAOYSA-N 1 3 313.489 3.205 20 10 DGCDHO Cc1ccc(C[NH+]2CCC(N3CCC(F)CC3)CC2)c(O)c1 ZINC001140950962 1092077070 /nfs/dbraw/zinc/07/70/70/1092077070.db2.gz QWQYDTIRHSPOQQ-UHFFFAOYSA-N 1 3 306.425 3.099 20 10 DGCDHO CCN1C[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3O)C[C@H]2C1 ZINC001143116806 1092618885 /nfs/dbraw/zinc/61/88/85/1092618885.db2.gz LEBWYDMHINYZQU-HZPDHXFCSA-N 1 3 302.462 3.073 20 10 DGCDHO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000316305805 1095169023 /nfs/dbraw/zinc/16/90/23/1095169023.db2.gz ZXRIBOLIJITXGI-CEXWTWQISA-N 1 3 301.478 3.153 20 10 DGCDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000316426119 1095173213 /nfs/dbraw/zinc/17/32/13/1095173213.db2.gz BETZFULSCWCIOO-AEFFLSMTSA-N 1 3 301.478 3.249 20 10 DGCDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000316426119 1095173217 /nfs/dbraw/zinc/17/32/17/1095173217.db2.gz BETZFULSCWCIOO-AEFFLSMTSA-N 1 3 301.478 3.249 20 10 DGCDHO COc1ccc(O)c(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222162006 1095469112 /nfs/dbraw/zinc/46/91/12/1095469112.db2.gz VXWUJPGMZZQPGA-IBGZPJMESA-N 1 3 318.461 3.147 20 10 DGCDHO Oc1cc2c(cc1C[N@@H+]1CCCC3(CCCC3)C1)CNCCO2 ZINC001222402160 1095596095 /nfs/dbraw/zinc/59/60/95/1095596095.db2.gz ZREHAOATVPOEBV-UHFFFAOYSA-N 1 3 316.445 3.030 20 10 DGCDHO Oc1cc2c(cc1C[N@H+]1CCCC3(CCCC3)C1)CNCCO2 ZINC001222402160 1095596103 /nfs/dbraw/zinc/59/61/03/1095596103.db2.gz ZREHAOATVPOEBV-UHFFFAOYSA-N 1 3 316.445 3.030 20 10 DGCDHO Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)c1O ZINC001277518948 1097749930 /nfs/dbraw/zinc/74/99/30/1097749930.db2.gz GFSCDTXCNWEOIS-SFHVURJKSA-N 1 3 306.425 3.148 20 10 DGCDHO Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)c1O ZINC001277518948 1097749934 /nfs/dbraw/zinc/74/99/34/1097749934.db2.gz GFSCDTXCNWEOIS-SFHVURJKSA-N 1 3 306.425 3.148 20 10 DGCDHO Cc1cc(C)c(C[NH+]2CCC(N3CCC(F)CC3)CC2)c(O)c1 ZINC001231846506 1097862517 /nfs/dbraw/zinc/86/25/17/1097862517.db2.gz NDVDYOOVTHEIPP-UHFFFAOYSA-N 1 3 320.452 3.407 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCCC23CCNCC3)cc1 ZINC001235141741 1098833446 /nfs/dbraw/zinc/83/34/46/1098833446.db2.gz XOQIKIYYDZZFDN-UHFFFAOYSA-N 1 3 301.478 3.251 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCCC23CCNCC3)cc1 ZINC001235141741 1098833460 /nfs/dbraw/zinc/83/34/60/1098833460.db2.gz XOQIKIYYDZZFDN-UHFFFAOYSA-N 1 3 301.478 3.251 20 10 DGCDHO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)c2ccccc21 ZINC001235241374 1098912929 /nfs/dbraw/zinc/91/29/29/1098912929.db2.gz SQTCQLUZQANBBC-OXQOHEQNSA-N 1 3 309.457 3.219 20 10 DGCDHO CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)c2ccccc21 ZINC001235241374 1098912937 /nfs/dbraw/zinc/91/29/37/1098912937.db2.gz SQTCQLUZQANBBC-OXQOHEQNSA-N 1 3 309.457 3.219 20 10 DGCDHO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]3CCCC[C@@H]31)CNCCO2 ZINC001235868985 1099227230 /nfs/dbraw/zinc/22/72/30/1099227230.db2.gz XWTQMIVIOHIJJS-PBHICJAKSA-N 1 3 316.445 3.029 20 10 DGCDHO Oc1cc2c(cc1C[N@H+]1CCC[C@H]3CCCC[C@@H]31)CNCCO2 ZINC001235868985 1099227240 /nfs/dbraw/zinc/22/72/40/1099227240.db2.gz XWTQMIVIOHIJJS-PBHICJAKSA-N 1 3 316.445 3.029 20 10 DGCDHO CC(C)c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c(O)c1 ZINC001237046201 1099941576 /nfs/dbraw/zinc/94/15/76/1099941576.db2.gz REWYAXGHPAYMAZ-UHFFFAOYSA-N 1 3 311.429 3.233 20 10 DGCDHO CN(C)c1ccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246314439 1104483928 /nfs/dbraw/zinc/48/39/28/1104483928.db2.gz XNCQSUNNSJXKHD-VQTJNVASSA-N 1 3 323.484 3.206 20 10 DGCDHO COc1ccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1C ZINC001246345511 1104500774 /nfs/dbraw/zinc/50/07/74/1104500774.db2.gz IQFKAPNPBBZPOB-UXHICEINSA-N 1 3 324.468 3.457 20 10 DGCDHO CCC1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139256085 1105398936 /nfs/dbraw/zinc/39/89/36/1105398936.db2.gz SPKCRSCBKBCLQY-UHFFFAOYSA-N 1 3 306.450 3.084 20 10 DGCDHO CN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254524816 1106093335 /nfs/dbraw/zinc/09/33/35/1106093335.db2.gz ZWFQDNOHEQDEIG-SFHVURJKSA-N 1 3 301.478 3.203 20 10 DGCDHO CN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524816 1106093341 /nfs/dbraw/zinc/09/33/41/1106093341.db2.gz ZWFQDNOHEQDEIG-SFHVURJKSA-N 1 3 301.478 3.203 20 10 DGCDHO Cc1cc(O)c(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000153448066 432410510 /nfs/dbraw/zinc/41/05/10/432410510.db2.gz JDANRTRPTSZACC-SFHVURJKSA-N 1 3 302.462 3.459 20 10 DGCDHO C[N@H+]1CC=C(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271857756 432426807 /nfs/dbraw/zinc/42/68/07/432426807.db2.gz VHMQTSRQAOJXRP-UHFFFAOYSA-N 1 3 308.425 3.411 20 10 DGCDHO C[N@@H+]1CC=C(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271857756 432426812 /nfs/dbraw/zinc/42/68/12/432426812.db2.gz VHMQTSRQAOJXRP-UHFFFAOYSA-N 1 3 308.425 3.411 20 10 DGCDHO Cc1ccc(O)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000185206479 432477656 /nfs/dbraw/zinc/47/76/56/432477656.db2.gz NBPPNTJKIWOKNP-ZACQAIPSSA-N 1 3 320.477 3.241 20 10 DGCDHO CCOc1cccc(CNCC(C)(C)C[NH+]2CCCC2)c1O ZINC000276714141 432824966 /nfs/dbraw/zinc/82/49/66/432824966.db2.gz QUOVUFDYTBOGPJ-UHFFFAOYSA-N 1 3 306.450 3.003 20 10 DGCDHO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000556877846 435034413 /nfs/dbraw/zinc/03/44/13/435034413.db2.gz MRHVJSUCSNTFAD-KURKYZTESA-N 1 3 311.473 3.449 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000556877846 435034416 /nfs/dbraw/zinc/03/44/16/435034416.db2.gz MRHVJSUCSNTFAD-KURKYZTESA-N 1 3 311.473 3.449 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000556877846 435034418 /nfs/dbraw/zinc/03/44/18/435034418.db2.gz MRHVJSUCSNTFAD-KURKYZTESA-N 1 3 311.473 3.449 20 10 DGCDHO CCOc1ccc(O)c(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853093531 620668059 /nfs/dbraw/zinc/66/80/59/620668059.db2.gz MJKDPFCXKUAYNK-INIZCTEOSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(O)c(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853093531 620668061 /nfs/dbraw/zinc/66/80/61/620668061.db2.gz MJKDPFCXKUAYNK-INIZCTEOSA-N 1 3 318.461 3.003 20 10 DGCDHO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@@H](N)c4ccccc43)C2)cc1 ZINC000854217187 620784998 /nfs/dbraw/zinc/78/49/98/620784998.db2.gz KKDCPIPQSGMKDN-KPOBHBOGSA-N 1 3 323.440 3.008 20 10 DGCDHO COc1cc(C)cc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)c1O ZINC000894360489 618771911 /nfs/dbraw/zinc/77/19/11/618771911.db2.gz WVLVBQLDLAKIGU-INIZCTEOSA-N 1 3 320.477 3.167 20 10 DGCDHO COc1cc(C)cc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000894360489 618771912 /nfs/dbraw/zinc/77/19/12/618771912.db2.gz WVLVBQLDLAKIGU-INIZCTEOSA-N 1 3 320.477 3.167 20 10 DGCDHO Cc1cc(C[NH+]2CCC(C)(N3CCC3)CC2)ccc1N(C)C ZINC000880474504 624964340 /nfs/dbraw/zinc/96/43/40/624964340.db2.gz IRBWNCZLIHRWCZ-UHFFFAOYSA-N 1 3 301.478 3.121 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000796694290 626074092 /nfs/dbraw/zinc/07/40/92/626074092.db2.gz KZNPKPNRUFKILB-ZCNNSNEGSA-N 1 3 315.505 3.495 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000796694290 626074094 /nfs/dbraw/zinc/07/40/94/626074094.db2.gz KZNPKPNRUFKILB-ZCNNSNEGSA-N 1 3 315.505 3.495 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817897834 627955238 /nfs/dbraw/zinc/95/52/38/627955238.db2.gz CCMLFNBVIGKVIZ-SLFFLAALSA-N 1 3 313.489 3.297 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc21 ZINC000817901769 627957300 /nfs/dbraw/zinc/95/73/00/627957300.db2.gz YHSDSKCOXUXYOW-IPMKNSEASA-N 1 3 313.489 3.079 20 10 DGCDHO NC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000841039611 630400539 /nfs/dbraw/zinc/40/05/39/630400539.db2.gz WJKUHQQHQUYBPJ-UHFFFAOYSA-N 1 3 301.478 3.428 20 10 DGCDHO CCN(CC)c1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000841086248 630405918 /nfs/dbraw/zinc/40/59/18/630405918.db2.gz GPMAUTXMAXRQBB-AZUAARDMSA-N 1 3 315.505 3.497 20 10 DGCDHO CCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CCNCC1 ZINC000843044166 630607760 /nfs/dbraw/zinc/60/77/60/630607760.db2.gz GAKAYBKVSLVABR-AATRIKPKSA-N 1 3 301.478 3.230 20 10 DGCDHO CCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C1CCNCC1 ZINC000843044166 630607761 /nfs/dbraw/zinc/60/77/61/630607761.db2.gz GAKAYBKVSLVABR-AATRIKPKSA-N 1 3 301.478 3.230 20 10 DGCDHO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC000843127919 630616901 /nfs/dbraw/zinc/61/69/01/630616901.db2.gz UPWILJXLWVHZHM-HOTGVXAUSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([O-])c1 ZINC000843127919 630616903 /nfs/dbraw/zinc/61/69/03/630616903.db2.gz UPWILJXLWVHZHM-HOTGVXAUSA-N 1 3 318.461 3.003 20 10 DGCDHO CCc1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000848887998 631773436 /nfs/dbraw/zinc/77/34/36/631773436.db2.gz KBVDTRFPPDOHLW-MRXNPFEDSA-N 1 3 302.462 3.262 20 10 DGCDHO CCOc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000849350167 631900805 /nfs/dbraw/zinc/90/08/05/631900805.db2.gz LLKMFBZNPFWHRK-INIZCTEOSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000849350167 631900809 /nfs/dbraw/zinc/90/08/09/631900809.db2.gz LLKMFBZNPFWHRK-INIZCTEOSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c([O-])c1 ZINC000849349566 631900847 /nfs/dbraw/zinc/90/08/47/631900847.db2.gz DFAHMRDYJPOALD-MRXNPFEDSA-N 1 3 318.461 3.003 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246894844 655553045 /nfs/dbraw/zinc/55/30/45/655553045.db2.gz UECOEFAOGXPMQS-PXNSSMCTSA-N 1 3 313.489 3.201 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246894844 655553046 /nfs/dbraw/zinc/55/30/46/655553046.db2.gz UECOEFAOGXPMQS-PXNSSMCTSA-N 1 3 313.489 3.201 20 10 DGCDHO COc1ccc(O)c(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001659420803 1196382011 /nfs/dbraw/zinc/38/20/11/1196382011.db2.gz PWPGXIOAUWZQCG-HUUCEWRRSA-N 1 3 318.461 3.143 20 10 DGCDHO COc1ccc(O)c(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001659420803 1196382013 /nfs/dbraw/zinc/38/20/13/1196382013.db2.gz PWPGXIOAUWZQCG-HUUCEWRRSA-N 1 3 318.461 3.143 20 10 DGCDHO CN1CCCc2cc(CN(C[C@H]3CCC[NH2+]C3)C3CC3)ccc21 ZINC000323675878 1197691302 /nfs/dbraw/zinc/69/13/02/1197691302.db2.gz GGCQBQCYEMSTQJ-KRWDZBQOSA-N 1 3 313.489 3.033 20 10 DGCDHO CC[NH+]1CCC(NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000236919642 1202635489 /nfs/dbraw/zinc/63/54/89/1202635489.db2.gz LPBPLGPPAFPEQY-UHFFFAOYSA-N 1 3 301.478 3.251 20 10 DGCDHO C[NH2+]C[C@@H]1CCCN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205009172 1091083346 /nfs/dbraw/zinc/08/33/46/1091083346.db2.gz IRCVWPYQIVOXEV-INIZCTEOSA-N 1 3 311.473 3.337 20 10 DGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205582934 1091267308 /nfs/dbraw/zinc/26/73/08/1091267308.db2.gz ZUBJJJFLWBAOPF-SFHVURJKSA-N 1 3 308.441 3.343 20 10 DGCDHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205582934 1091267314 /nfs/dbraw/zinc/26/73/14/1091267314.db2.gz ZUBJJJFLWBAOPF-SFHVURJKSA-N 1 3 308.441 3.343 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1[O-] ZINC001205592778 1091270482 /nfs/dbraw/zinc/27/04/82/1091270482.db2.gz YEPUIFIXBRHVTJ-OAHLLOKOSA-N 1 3 300.805 3.007 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1[O-] ZINC001205592778 1091270494 /nfs/dbraw/zinc/27/04/94/1091270494.db2.gz YEPUIFIXBRHVTJ-OAHLLOKOSA-N 1 3 300.805 3.007 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206003471 1091446600 /nfs/dbraw/zinc/44/66/00/1091446600.db2.gz IIGJHMLRQWHGEH-HOTGVXAUSA-N 1 3 319.493 3.045 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206003471 1091446610 /nfs/dbraw/zinc/44/66/10/1091446610.db2.gz IIGJHMLRQWHGEH-HOTGVXAUSA-N 1 3 319.493 3.045 20 10 DGCDHO CCCC1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139256437 1091502705 /nfs/dbraw/zinc/50/27/05/1091502705.db2.gz BEIHIYINGXFUOV-UHFFFAOYSA-N 1 3 320.477 3.475 20 10 DGCDHO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@](F)(CN)C2)c1 ZINC001206371000 1091603707 /nfs/dbraw/zinc/60/37/07/1091603707.db2.gz QXRURGDYRBJSMB-GOSISDBHSA-N 1 3 308.441 3.343 20 10 DGCDHO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@@](F)(CN)C2)c1 ZINC001206371000 1091603714 /nfs/dbraw/zinc/60/37/14/1091603714.db2.gz QXRURGDYRBJSMB-GOSISDBHSA-N 1 3 308.441 3.343 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)C3CC(F)(F)C3)cc2)CC1 ZINC001140300069 1091819023 /nfs/dbraw/zinc/81/90/23/1091819023.db2.gz LKZURGIXLMBWPG-UHFFFAOYSA-N 1 3 323.431 3.058 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)C3CC(F)(F)C3)cc2)CC1 ZINC001140300069 1091819026 /nfs/dbraw/zinc/81/90/26/1091819026.db2.gz LKZURGIXLMBWPG-UHFFFAOYSA-N 1 3 323.431 3.058 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](CC3CC3)C3CC3)cc2)CC1 ZINC001140309341 1091819958 /nfs/dbraw/zinc/81/99/58/1091819958.db2.gz BSDWBTAGWIUCIU-UHFFFAOYSA-N 1 3 313.489 3.203 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](CC3CC3)C3CC3)cc2)CC1 ZINC001140309341 1091819967 /nfs/dbraw/zinc/81/99/67/1091819967.db2.gz BSDWBTAGWIUCIU-UHFFFAOYSA-N 1 3 313.489 3.203 20 10 DGCDHO Nc1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235385196 1098989217 /nfs/dbraw/zinc/98/92/17/1098989217.db2.gz UCNPIMPMHKQSPA-CTNGQTDRSA-N 1 3 321.468 3.022 20 10 DGCDHO N[C@@]12CC[C@H]1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985534 1099310397 /nfs/dbraw/zinc/31/03/97/1099310397.db2.gz CTICOXQLMXHYDZ-QFBILLFUSA-N 1 3 312.388 3.121 20 10 DGCDHO N[C@@]12CC[C@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985534 1099310411 /nfs/dbraw/zinc/31/04/11/1099310411.db2.gz CTICOXQLMXHYDZ-QFBILLFUSA-N 1 3 312.388 3.121 20 10 DGCDHO C[NH2+][C@@H](C)CCN[C@H](C)c1cc(Br)cc(C)c1O ZINC001326035746 1103189055 /nfs/dbraw/zinc/18/90/55/1103189055.db2.gz MEMAXTPTTKJAEH-WDEREUQCSA-N 1 3 315.255 3.112 20 10 DGCDHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430717 432332219 /nfs/dbraw/zinc/33/22/19/432332219.db2.gz YDUAXUQRACYFKK-BEFAXECRSA-N 1 3 301.478 3.278 20 10 DGCDHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430717 432332223 /nfs/dbraw/zinc/33/22/23/432332223.db2.gz YDUAXUQRACYFKK-BEFAXECRSA-N 1 3 301.478 3.278 20 10 DGCDHO CC1CC[NH+](CCCC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295792559 434436498 /nfs/dbraw/zinc/43/64/98/434436498.db2.gz BRFLOBPIQCZSBS-KRWDZBQOSA-N 1 3 302.462 3.481 20 10 DGCDHO CCc1cccc(C[NH+]2CCC(CC)(N3CCC3)CC2)c1O ZINC000895822151 618836099 /nfs/dbraw/zinc/83/60/99/618836099.db2.gz LGSZHTAGRUDRGX-UHFFFAOYSA-N 1 3 302.462 3.405 20 10 DGCDHO C[C@H]([NH3+])c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000841028402 619165309 /nfs/dbraw/zinc/16/53/09/619165309.db2.gz DCOCLZSJOAZHMP-ZDUSSCGKSA-N 1 3 301.409 3.201 20 10 DGCDHO FC1(F)CCNC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000903955412 619846673 /nfs/dbraw/zinc/84/66/73/619846673.db2.gz RGYFAZVRXORWEJ-INIZCTEOSA-N 1 3 323.431 3.011 20 10 DGCDHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(N2CCCCC2)cc1 ZINC000863545398 621682494 /nfs/dbraw/zinc/68/24/94/621682494.db2.gz QRLUIVGEWXFPEZ-SOLBZPMBSA-N 1 3 301.478 3.468 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1F ZINC000768545736 622464047 /nfs/dbraw/zinc/46/40/47/622464047.db2.gz CJAOUCLAXVYMPV-KRWDZBQOSA-N 1 3 321.484 3.446 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1F ZINC000768545736 622464049 /nfs/dbraw/zinc/46/40/49/622464049.db2.gz CJAOUCLAXVYMPV-KRWDZBQOSA-N 1 3 321.484 3.446 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000796772267 626081144 /nfs/dbraw/zinc/08/11/44/626081144.db2.gz PQWIAKNWJBEUHB-QRVBRYPASA-N 1 3 301.478 3.023 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000796772267 626081145 /nfs/dbraw/zinc/08/11/45/626081145.db2.gz PQWIAKNWJBEUHB-QRVBRYPASA-N 1 3 301.478 3.023 20 10 DGCDHO CCOc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c([O-])c1 ZINC000798957137 626262673 /nfs/dbraw/zinc/26/26/73/626262673.db2.gz WBTGLRDFFDOEQA-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO CCOc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c([O-])c1 ZINC000798957137 626262674 /nfs/dbraw/zinc/26/26/74/626262674.db2.gz WBTGLRDFFDOEQA-UHFFFAOYSA-N 1 3 318.461 3.099 20 10 DGCDHO Cc1cc(C[N@H+](C)CC[C@@H]2CCCCN2C)ccc1N(C)C ZINC000815054067 627619975 /nfs/dbraw/zinc/61/99/75/627619975.db2.gz FXDHSKIVYHPQKP-SFHVURJKSA-N 1 3 303.494 3.367 20 10 DGCDHO Cc1cc(C[N@@H+](C)CC[C@@H]2CCCCN2C)ccc1N(C)C ZINC000815054067 627619976 /nfs/dbraw/zinc/61/99/76/627619976.db2.gz FXDHSKIVYHPQKP-SFHVURJKSA-N 1 3 303.494 3.367 20 10 DGCDHO C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2c1c(F)ccc2[O-] ZINC000925845997 627805253 /nfs/dbraw/zinc/80/52/53/627805253.db2.gz MXUXDABOVUUCQB-HMECXNKFSA-N 1 3 304.409 3.201 20 10 DGCDHO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817895707 627954553 /nfs/dbraw/zinc/95/45/53/627954553.db2.gz ZPVCFOCGDWRVQS-AWEZNQCLSA-N 1 3 312.461 3.074 20 10 DGCDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817899569 627956229 /nfs/dbraw/zinc/95/62/29/627956229.db2.gz HCANJJJCZGLFSH-CQSZACIVSA-N 1 3 324.472 3.082 20 10 DGCDHO C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817967210 627977943 /nfs/dbraw/zinc/97/79/43/627977943.db2.gz FOCKMFTUGGSIET-VKJFTORMSA-N 1 3 319.468 3.465 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2c1c(F)ccc2[O-] ZINC000840811205 630361382 /nfs/dbraw/zinc/36/13/82/630361382.db2.gz ZOPXSFSWUFGXLH-NFAWXSAZSA-N 1 3 306.425 3.401 20 10 DGCDHO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2[O-] ZINC000840811205 630361385 /nfs/dbraw/zinc/36/13/85/630361385.db2.gz ZOPXSFSWUFGXLH-NFAWXSAZSA-N 1 3 306.425 3.401 20 10 DGCDHO Cc1cc(Br)cc(C[NH2+][C@H](C)CCCC[NH3+])c1[O-] ZINC000841079919 630405622 /nfs/dbraw/zinc/40/56/22/630405622.db2.gz ORNRYMHPKFJICI-LLVKDONJSA-N 1 3 315.255 3.070 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843043929 630607650 /nfs/dbraw/zinc/60/76/50/630607650.db2.gz DCBWPCBMTLGFBX-PKOBYXMFSA-N 1 3 301.478 3.025 20 10 DGCDHO C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843129969 630617531 /nfs/dbraw/zinc/61/75/31/630617531.db2.gz VUJTWOPRHYYCRJ-GJZGRUSLSA-N 1 3 314.429 3.187 20 10 DGCDHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000848717974 631733406 /nfs/dbraw/zinc/73/34/06/631733406.db2.gz DUXCKLHLJRMUTH-QZTJIDSGSA-N 1 3 301.478 3.282 20 10 DGCDHO C[C@H]([NH2+]CCCN1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000184899717 660194343 /nfs/dbraw/zinc/19/43/43/660194343.db2.gz MAYIQYIBCRGEDA-HNNXBMFYSA-N 1 3 302.462 3.408 20 10 DGCDHO Cc1cc(CN2CC[C@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000172507629 659341323 /nfs/dbraw/zinc/34/13/23/659341323.db2.gz GNVIOZDCFLAKKQ-OAHLLOKOSA-N 1 3 304.478 3.382 20 10 DGCDHO C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000246197276 662250427 /nfs/dbraw/zinc/25/04/27/662250427.db2.gz AKRPREMIDIUEGI-QFBILLFUSA-N 1 3 310.441 3.462 20 10 DGCDHO C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000246197276 662250429 /nfs/dbraw/zinc/25/04/29/662250429.db2.gz AKRPREMIDIUEGI-QFBILLFUSA-N 1 3 310.441 3.462 20 10 DGCDHO C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000246197276 662250431 /nfs/dbraw/zinc/25/04/31/662250431.db2.gz AKRPREMIDIUEGI-QFBILLFUSA-N 1 3 310.441 3.462 20 10 DGCDHO C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000246197276 662250434 /nfs/dbraw/zinc/25/04/34/662250434.db2.gz AKRPREMIDIUEGI-QFBILLFUSA-N 1 3 310.441 3.462 20 10 DGCDHO CN(C)CC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCC1 ZINC001620895986 1192561238 /nfs/dbraw/zinc/56/12/38/1192561238.db2.gz VXSPWCXTBNJIBE-UHFFFAOYSA-N 1 3 307.457 3.103 20 10 DGCDHO COc1cc(C)c(C[N@H+](C)CCCC[NH+]2CCCCC2)c([O-])c1 ZINC001621497038 1193850742 /nfs/dbraw/zinc/85/07/42/1193850742.db2.gz UXZPPQPGDIPSOS-UHFFFAOYSA-N 1 3 320.477 3.407 20 10 DGCDHO COc1cc(C)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)c([O-])c1 ZINC001621497038 1193850744 /nfs/dbraw/zinc/85/07/44/1193850744.db2.gz UXZPPQPGDIPSOS-UHFFFAOYSA-N 1 3 320.477 3.407 20 10 DGCDHO Cc1ccc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)c([O-])c1 ZINC001660500278 1196492175 /nfs/dbraw/zinc/49/21/75/1196492175.db2.gz DAYOQOIMJZLLMD-UHFFFAOYSA-N 1 3 324.468 3.454 20 10 DGCDHO C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@H]1C[NH3+] ZINC001205651102 1091296704 /nfs/dbraw/zinc/29/67/04/1091296704.db2.gz ADZNJMGUEAYPAO-NWDGAFQWSA-N 1 3 316.367 3.218 20 10 DGCDHO C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@H]1C[NH3+] ZINC001205651102 1091296710 /nfs/dbraw/zinc/29/67/10/1091296710.db2.gz ADZNJMGUEAYPAO-NWDGAFQWSA-N 1 3 316.367 3.218 20 10 DGCDHO C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@H]1C[NH3+] ZINC001205651104 1091296986 /nfs/dbraw/zinc/29/69/86/1091296986.db2.gz ADZNJMGUEAYPAO-VXGBXAGGSA-N 1 3 316.367 3.218 20 10 DGCDHO C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC[C@@H]1C[NH3+] ZINC001205651104 1091296994 /nfs/dbraw/zinc/29/69/94/1091296994.db2.gz ADZNJMGUEAYPAO-VXGBXAGGSA-N 1 3 316.367 3.218 20 10 DGCDHO COc1cc(CN2CC[C@@H](C)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139258229 1091503328 /nfs/dbraw/zinc/50/33/28/1091503328.db2.gz NBUPKHJDSSTALT-ZIAGYGMSSA-N 1 3 306.450 3.083 20 10 DGCDHO CCN(CC)c1ccc(CN2CCCC[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206616794 1091690720 /nfs/dbraw/zinc/69/07/20/1091690720.db2.gz QHLBPWKIEFRXER-INIZCTEOSA-N 1 3 319.493 3.102 20 10 DGCDHO CCC[NH+](CCC)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140301080 1091818462 /nfs/dbraw/zinc/81/84/62/1091818462.db2.gz YIOCKZYRUXGSEL-UHFFFAOYSA-N 1 3 303.494 3.451 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](C)C[C@@H]3C)cc2)CC1 ZINC001140303832 1091819509 /nfs/dbraw/zinc/81/95/09/1091819509.db2.gz BKPBKGOCKRYNQJ-ROUUACIJSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](C)C[C@@H]3C)cc2)CC1 ZINC001140303832 1091819518 /nfs/dbraw/zinc/81/95/18/1091819518.db2.gz BKPBKGOCKRYNQJ-ROUUACIJSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)CC3CCCC3)cc2)CC1 ZINC001140306015 1091819744 /nfs/dbraw/zinc/81/97/44/1091819744.db2.gz KORXKLZVTLFDDF-UHFFFAOYSA-N 1 3 315.505 3.451 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)CC3CCCC3)cc2)CC1 ZINC001140306015 1091819749 /nfs/dbraw/zinc/81/97/49/1091819749.db2.gz KORXKLZVTLFDDF-UHFFFAOYSA-N 1 3 315.505 3.451 20 10 DGCDHO CC[C@@H]1CC[N@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140309690 1091820226 /nfs/dbraw/zinc/82/02/26/1091820226.db2.gz QSQPGIHQTLNRQU-QGZVFWFLSA-N 1 3 301.478 3.060 20 10 DGCDHO CC[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140309690 1091820234 /nfs/dbraw/zinc/82/02/34/1091820234.db2.gz QSQPGIHQTLNRQU-QGZVFWFLSA-N 1 3 301.478 3.060 20 10 DGCDHO CCN(CCC[NH+](C)C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078167 1092131603 /nfs/dbraw/zinc/13/16/03/1092131603.db2.gz NLPAOFOCXPKDHY-UHFFFAOYSA-N 1 3 315.505 3.159 20 10 DGCDHO C[N@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4cc3[O-])C[C@H]2CC1 ZINC001276812532 1095083258 /nfs/dbraw/zinc/08/32/58/1095083258.db2.gz HCVVKHDPUTVSJV-HDICACEKSA-N 1 3 310.441 3.319 20 10 DGCDHO C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4cc3[O-])C[C@H]2CC1 ZINC001276812532 1095083274 /nfs/dbraw/zinc/08/32/74/1095083274.db2.gz HCVVKHDPUTVSJV-HDICACEKSA-N 1 3 310.441 3.319 20 10 DGCDHO C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2CC1 ZINC001276812532 1095083288 /nfs/dbraw/zinc/08/32/88/1095083288.db2.gz HCVVKHDPUTVSJV-HDICACEKSA-N 1 3 310.441 3.319 20 10 DGCDHO C[NH+]1CC[C@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@H]2CC1 ZINC001276812532 1095083299 /nfs/dbraw/zinc/08/32/99/1095083299.db2.gz HCVVKHDPUTVSJV-HDICACEKSA-N 1 3 310.441 3.319 20 10 DGCDHO C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001276812950 1095090528 /nfs/dbraw/zinc/09/05/28/1095090528.db2.gz LMRPILCVSCNIAR-UHFFFAOYSA-N 1 3 310.441 3.463 20 10 DGCDHO C[N@H+]1CCC2(C1)CC[NH+](Cc1cc3ccccc3cc1[O-])CC2 ZINC001276812950 1095090540 /nfs/dbraw/zinc/09/05/40/1095090540.db2.gz LMRPILCVSCNIAR-UHFFFAOYSA-N 1 3 310.441 3.463 20 10 DGCDHO CC(C)c1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c([O-])c1 ZINC001276815713 1095145744 /nfs/dbraw/zinc/14/57/44/1095145744.db2.gz YIINKLPYBXXAAO-UHFFFAOYSA-N 1 3 302.462 3.433 20 10 DGCDHO CC(C)c1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c([O-])c1 ZINC001276815713 1095145750 /nfs/dbraw/zinc/14/57/50/1095145750.db2.gz YIINKLPYBXXAAO-UHFFFAOYSA-N 1 3 302.462 3.433 20 10 DGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000316871784 1095198042 /nfs/dbraw/zinc/19/80/42/1095198042.db2.gz WNZLDZRJAGAMAG-UGUYLWEFSA-N 1 3 300.446 3.465 20 10 DGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000316871784 1095198050 /nfs/dbraw/zinc/19/80/50/1095198050.db2.gz WNZLDZRJAGAMAG-UGUYLWEFSA-N 1 3 300.446 3.465 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001222141993 1095454158 /nfs/dbraw/zinc/45/41/58/1095454158.db2.gz UUXDUEBYLZTQTE-NRFANRHFSA-N 1 3 323.484 3.481 20 10 DGCDHO CN(C)c1ccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222160285 1095466479 /nfs/dbraw/zinc/46/64/79/1095466479.db2.gz DSDNUALITGUMKR-HXUWFJFHSA-N 1 3 315.505 3.498 20 10 DGCDHO [O-]c1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc2ccccc21 ZINC001231878784 1097878252 /nfs/dbraw/zinc/87/82/52/1097878252.db2.gz TYNWUGSCOPDLHO-UHFFFAOYSA-N 1 3 319.408 3.263 20 10 DGCDHO CN(C)c1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC001177823773 1098607538 /nfs/dbraw/zinc/60/75/38/1098607538.db2.gz ZNYQZLLPNFPXHR-KRWDZBQOSA-N 1 3 309.473 3.348 20 10 DGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCCC23CCNCC3)c(O)c1 ZINC001235144412 1098835934 /nfs/dbraw/zinc/83/59/34/1098835934.db2.gz LCDVEBCHGDGMGE-UHFFFAOYSA-N 1 3 302.462 3.408 20 10 DGCDHO CC(C)(C)c1ccc(C[N@H+]2CCCC23CCNCC3)c(O)c1 ZINC001235144412 1098835940 /nfs/dbraw/zinc/83/59/40/1098835940.db2.gz LCDVEBCHGDGMGE-UHFFFAOYSA-N 1 3 302.462 3.408 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235239278 1098910747 /nfs/dbraw/zinc/91/07/47/1098910747.db2.gz UXXVAEDUFBPIHJ-GOSISDBHSA-N 1 3 318.461 3.145 20 10 DGCDHO CCc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235241124 1098914103 /nfs/dbraw/zinc/91/41/03/1098914103.db2.gz YOBGIQLWJGMJIA-SFHVURJKSA-N 1 3 302.462 3.309 20 10 DGCDHO Cc1cc(F)cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1[O-] ZINC001236963243 1099893087 /nfs/dbraw/zinc/89/30/87/1099893087.db2.gz XJRHCKVXFGOUHX-UHFFFAOYSA-N 1 3 320.452 3.441 20 10 DGCDHO CCN(CCC[NH+](C)C)Cc1cc(C(F)(F)F)ccc1O ZINC001237147011 1099996710 /nfs/dbraw/zinc/99/67/10/1099996710.db2.gz YGVUKPHHIULKCE-UHFFFAOYSA-N 1 3 304.356 3.185 20 10 DGCDHO Cc1cccc(CN2CCC3(CC2)[NH2+]CCc2ccccc23)c1O ZINC001237287858 1100063720 /nfs/dbraw/zinc/06/37/20/1100063720.db2.gz ABUAVQLLGPMWQV-UHFFFAOYSA-N 1 3 322.452 3.338 20 10 DGCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246529349 1104579868 /nfs/dbraw/zinc/57/98/68/1104579868.db2.gz GXGKQTUPBQBBHR-HBUWYVDXSA-N 1 3 302.462 3.363 20 10 DGCDHO CN(C)c1ccc(C[N@H+](C)C2CCN(C(C)(C)C)CC2)cc1 ZINC001256576298 1106449329 /nfs/dbraw/zinc/44/93/29/1106449329.db2.gz DXIRLZHUFCPVSS-UHFFFAOYSA-N 1 3 303.494 3.447 20 10 DGCDHO CN(C)c1ccc(C[N@@H+](C)C2CCN(C(C)(C)C)CC2)cc1 ZINC001256576298 1106449332 /nfs/dbraw/zinc/44/93/32/1106449332.db2.gz DXIRLZHUFCPVSS-UHFFFAOYSA-N 1 3 303.494 3.447 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC001320876919 1107172418 /nfs/dbraw/zinc/17/24/18/1107172418.db2.gz UAFNTGMATNLLCN-QFBILLFUSA-N 1 3 303.494 3.305 20 10 DGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC001320876919 1107172424 /nfs/dbraw/zinc/17/24/24/1107172424.db2.gz UAFNTGMATNLLCN-QFBILLFUSA-N 1 3 303.494 3.305 20 10 DGCDHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186396 1107356535 /nfs/dbraw/zinc/35/65/35/1107356535.db2.gz FWKYBICKVSEDPM-QUCCMNQESA-N 1 3 313.489 3.203 20 10 DGCDHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186396 1107356547 /nfs/dbraw/zinc/35/65/47/1107356547.db2.gz FWKYBICKVSEDPM-QUCCMNQESA-N 1 3 313.489 3.203 20 10 DGCDHO CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000155411962 288039240 /nfs/dbraw/zinc/03/92/40/288039240.db2.gz NFJQXTGOQOCQQT-JZXOWHBKSA-N 1 3 320.477 3.322 20 10 DGCDHO CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000155411962 288039246 /nfs/dbraw/zinc/03/92/46/288039246.db2.gz NFJQXTGOQOCQQT-JZXOWHBKSA-N 1 3 320.477 3.322 20 10 DGCDHO COc1ccc([O-])c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293836854 433887079 /nfs/dbraw/zinc/88/70/79/433887079.db2.gz XNKXTYWHQOXUQA-OAHLLOKOSA-N 1 3 306.450 3.318 20 10 DGCDHO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000556877848 435035115 /nfs/dbraw/zinc/03/51/15/435035115.db2.gz MRHVJSUCSNTFAD-RCCFBDPRSA-N 1 3 311.473 3.449 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000556877848 435035118 /nfs/dbraw/zinc/03/51/18/435035118.db2.gz MRHVJSUCSNTFAD-RCCFBDPRSA-N 1 3 311.473 3.449 20 10 DGCDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000556877848 435035123 /nfs/dbraw/zinc/03/51/23/435035123.db2.gz MRHVJSUCSNTFAD-RCCFBDPRSA-N 1 3 311.473 3.449 20 10 DGCDHO CN(C)c1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1F ZINC000130559888 524051114 /nfs/dbraw/zinc/05/11/14/524051114.db2.gz IMVWYHKTORFPPN-UHFFFAOYSA-N 1 3 307.457 3.055 20 10 DGCDHO C[NH+](C)CC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2[O-])CC1 ZINC000738074508 574858767 /nfs/dbraw/zinc/85/87/67/574858767.db2.gz AJRSJIITNNMFQI-UHFFFAOYSA-N 1 3 320.477 3.169 20 10 DGCDHO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](N)c4ccccc43)C2)cc1 ZINC000854217189 620785205 /nfs/dbraw/zinc/78/52/05/620785205.db2.gz KKDCPIPQSGMKDN-VHKYSDTDSA-N 1 3 323.440 3.008 20 10 DGCDHO COc1cc(C)cc(C[N@H+](C)CC[C@@H]2CCCCN2C)c1O ZINC000894053765 618700461 /nfs/dbraw/zinc/70/04/61/618700461.db2.gz IMSITCGKNMAHTI-INIZCTEOSA-N 1 3 306.450 3.015 20 10 DGCDHO COc1cc(C)cc(C[N@@H+](C)CC[C@@H]2CCCCN2C)c1O ZINC000894053765 618700463 /nfs/dbraw/zinc/70/04/63/618700463.db2.gz IMSITCGKNMAHTI-INIZCTEOSA-N 1 3 306.450 3.015 20 10 DGCDHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000896393489 618907535 /nfs/dbraw/zinc/90/75/35/618907535.db2.gz YJUAHWIYWDZTBS-UHFFFAOYSA-N 1 3 306.425 3.418 20 10 DGCDHO CC(C)N(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349425 622391936 /nfs/dbraw/zinc/39/19/36/622391936.db2.gz SZSTUBPYMQGPPZ-IBGZPJMESA-N 1 3 303.494 3.447 20 10 DGCDHO CC(C)N(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349425 622391939 /nfs/dbraw/zinc/39/19/39/622391939.db2.gz SZSTUBPYMQGPPZ-IBGZPJMESA-N 1 3 303.494 3.447 20 10 DGCDHO CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000768546298 622463720 /nfs/dbraw/zinc/46/37/20/622463720.db2.gz IIHHNFLCIZKFQL-LJQANCHMSA-N 1 3 315.505 3.451 20 10 DGCDHO CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768546298 622463721 /nfs/dbraw/zinc/46/37/21/622463721.db2.gz IIHHNFLCIZKFQL-LJQANCHMSA-N 1 3 315.505 3.451 20 10 DGCDHO CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000873130335 623043352 /nfs/dbraw/zinc/04/33/52/623043352.db2.gz BKBHMOFQUOXJNQ-AYHJJNSGSA-N 1 3 302.462 3.499 20 10 DGCDHO CCN(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000773766312 623070718 /nfs/dbraw/zinc/07/07/18/623070718.db2.gz RPJPIWSXUTVAEO-IEBWSBKVSA-N 1 3 301.478 3.059 20 10 DGCDHO CCN(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000773766312 623070723 /nfs/dbraw/zinc/07/07/23/623070723.db2.gz RPJPIWSXUTVAEO-IEBWSBKVSA-N 1 3 301.478 3.059 20 10 DGCDHO C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000873236238 623087071 /nfs/dbraw/zinc/08/70/71/623087071.db2.gz ZLPYQHQCUPWAQV-XJKSGUPXSA-N 1 3 302.393 3.142 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000796772263 626081152 /nfs/dbraw/zinc/08/11/52/626081152.db2.gz PQWIAKNWJBEUHB-IPMKNSEASA-N 1 3 301.478 3.023 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000796772263 626081153 /nfs/dbraw/zinc/08/11/53/626081153.db2.gz PQWIAKNWJBEUHB-IPMKNSEASA-N 1 3 301.478 3.023 20 10 DGCDHO [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000925880788 627811156 /nfs/dbraw/zinc/81/11/56/627811156.db2.gz BHVJEDZVAPWISH-HLIPFELVSA-N 1 3 308.425 3.028 20 10 DGCDHO C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817967209 627977473 /nfs/dbraw/zinc/97/74/73/627977473.db2.gz FOCKMFTUGGSIET-RVKKMQEKSA-N 1 3 319.468 3.465 20 10 DGCDHO CC[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000817987217 627984303 /nfs/dbraw/zinc/98/43/03/627984303.db2.gz YHZSZBASKUJOGD-FUHWJXTLSA-N 1 3 301.478 3.468 20 10 DGCDHO COc1cc(Cl)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431790 628022210 /nfs/dbraw/zinc/02/22/10/628022210.db2.gz TVWNUPURBKUSJF-LBPRGKRZSA-N 1 3 324.852 3.018 20 10 DGCDHO COc1cc(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431790 628022213 /nfs/dbraw/zinc/02/22/13/628022213.db2.gz TVWNUPURBKUSJF-LBPRGKRZSA-N 1 3 324.852 3.018 20 10 DGCDHO CN(C)c1ccc(/C=C\CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000835052955 629837746 /nfs/dbraw/zinc/83/77/46/629837746.db2.gz IVBVXDIXBKQSPH-JBJGNSMKSA-N 1 3 313.489 3.182 20 10 DGCDHO CN(C)c1ccc(/C=C\CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000835052955 629837750 /nfs/dbraw/zinc/83/77/50/629837750.db2.gz IVBVXDIXBKQSPH-JBJGNSMKSA-N 1 3 313.489 3.182 20 10 DGCDHO CN(C)c1ccc(/C=C/CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000835052953 629837923 /nfs/dbraw/zinc/83/79/23/629837923.db2.gz IVBVXDIXBKQSPH-DTRRYIFCSA-N 1 3 313.489 3.182 20 10 DGCDHO CN(C)c1ccc(/C=C/CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000835052953 629837925 /nfs/dbraw/zinc/83/79/25/629837925.db2.gz IVBVXDIXBKQSPH-DTRRYIFCSA-N 1 3 313.489 3.182 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000840947497 630382532 /nfs/dbraw/zinc/38/25/32/630382532.db2.gz WQQVIELZICYLED-DFNIBXOVSA-N 1 3 301.478 3.118 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000840947497 630382534 /nfs/dbraw/zinc/38/25/34/630382534.db2.gz WQQVIELZICYLED-DFNIBXOVSA-N 1 3 301.478 3.118 20 10 DGCDHO C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000841100272 630407817 /nfs/dbraw/zinc/40/78/17/630407817.db2.gz AQYPQJARHGPTTP-AEFFLSMTSA-N 1 3 301.478 3.094 20 10 DGCDHO CCN(CC)c1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000314965852 656546971 /nfs/dbraw/zinc/54/69/71/656546971.db2.gz VKAHSVLNPXNYOD-SFHVURJKSA-N 1 3 303.494 3.353 20 10 DGCDHO CCN(CC)c1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000314965852 656546974 /nfs/dbraw/zinc/54/69/74/656546974.db2.gz VKAHSVLNPXNYOD-SFHVURJKSA-N 1 3 303.494 3.353 20 10 DGCDHO COc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1[O-] ZINC000317473385 656619985 /nfs/dbraw/zinc/61/99/85/656619985.db2.gz CRFLJXRCKQXYSG-HNNXBMFYSA-N 1 3 324.852 3.018 20 10 DGCDHO Cc1cc(C)c(O)c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000164394918 658930632 /nfs/dbraw/zinc/93/06/32/658930632.db2.gz DSPAFAQJGNULOQ-SFHVURJKSA-N 1 3 302.462 3.459 20 10 DGCDHO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1C ZINC001658176128 1196220979 /nfs/dbraw/zinc/22/09/79/1196220979.db2.gz ZHWJHHUFOMYWBH-KZNAEPCWSA-N 1 3 302.462 3.214 20 10 DGCDHO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001205591423 1091269922 /nfs/dbraw/zinc/26/99/22/1091269922.db2.gz MNQJAQKCTYXGIG-CQSZACIVSA-N 1 3 320.330 3.064 20 10 DGCDHO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001205591423 1091269930 /nfs/dbraw/zinc/26/99/30/1091269930.db2.gz MNQJAQKCTYXGIG-CQSZACIVSA-N 1 3 320.330 3.064 20 10 DGCDHO COc1cc(CN(C)Cc2ccccc2)cc(C[NH+](C)C)c1O ZINC001139253587 1091501527 /nfs/dbraw/zinc/50/15/27/1091501527.db2.gz ZLNHDXYJQRLGFL-UHFFFAOYSA-N 1 3 314.429 3.094 20 10 DGCDHO COc1cc(C[N@@H+]2CCCC[C@@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139252974 1091502209 /nfs/dbraw/zinc/50/22/09/1091502209.db2.gz HMVHXRRTRBLXKP-CQSZACIVSA-N 1 3 306.450 3.084 20 10 DGCDHO COc1cc(C[N@H+]2CCCC[C@@H](C)C2)cc(C[NH+](C)C)c1[O-] ZINC001139252974 1091502219 /nfs/dbraw/zinc/50/22/19/1091502219.db2.gz HMVHXRRTRBLXKP-CQSZACIVSA-N 1 3 306.450 3.084 20 10 DGCDHO COc1cc(C[N@H+](C)CC2CCCC2)cc(C[NH+](C)C)c1[O-] ZINC001139257814 1091502420 /nfs/dbraw/zinc/50/24/20/1091502420.db2.gz GZVCJSXXXFTRJR-UHFFFAOYSA-N 1 3 306.450 3.084 20 10 DGCDHO COc1cc(C[N@@H+](C)CC2CCCC2)cc(C[NH+](C)C)c1[O-] ZINC001139257814 1091502425 /nfs/dbraw/zinc/50/24/25/1091502425.db2.gz GZVCJSXXXFTRJR-UHFFFAOYSA-N 1 3 306.450 3.084 20 10 DGCDHO CCCC[N@H+](CC)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140300092 1091818959 /nfs/dbraw/zinc/81/89/59/1091818959.db2.gz MHYPGQIKVWBJAJ-UHFFFAOYSA-N 1 3 303.494 3.451 20 10 DGCDHO CCCC[N@@H+](CC)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140300092 1091818964 /nfs/dbraw/zinc/81/89/64/1091818964.db2.gz MHYPGQIKVWBJAJ-UHFFFAOYSA-N 1 3 303.494 3.451 20 10 DGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000316871781 1095197943 /nfs/dbraw/zinc/19/79/43/1095197943.db2.gz WNZLDZRJAGAMAG-FPCVCCKLSA-N 1 3 300.446 3.465 20 10 DGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000316871781 1095197951 /nfs/dbraw/zinc/19/79/51/1095197951.db2.gz WNZLDZRJAGAMAG-FPCVCCKLSA-N 1 3 300.446 3.465 20 10 DGCDHO COc1cccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161566 1095467535 /nfs/dbraw/zinc/46/75/35/1095467535.db2.gz PJNCTYXBTNSWTQ-IBGZPJMESA-N 1 3 318.461 3.147 20 10 DGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Cl ZINC001222314083 1095546706 /nfs/dbraw/zinc/54/67/06/1095546706.db2.gz BULNCUZPIZHGTE-QGZVFWFLSA-N 1 3 308.853 3.462 20 10 DGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Cl ZINC001222314083 1095546714 /nfs/dbraw/zinc/54/67/14/1095546714.db2.gz BULNCUZPIZHGTE-QGZVFWFLSA-N 1 3 308.853 3.462 20 10 DGCDHO CCN1C[C@@H]2C[NH+](Cc3cc(C)n(-c4ccccc4)c3C)C[C@H]2C1 ZINC001137858958 1095770175 /nfs/dbraw/zinc/77/01/75/1095770175.db2.gz BSDFJHXTBZRNMR-WOJBJXKFSA-N 1 3 323.484 3.478 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119610861 1096233094 /nfs/dbraw/zinc/23/30/94/1096233094.db2.gz IJHJXAORXUUVLL-FQEVSTJZSA-N 1 3 313.489 3.252 20 10 DGCDHO CCOCc1cc(C[NH2+]C[C@@H]2CCCN(CC)C2)ccc1OC ZINC001177542097 1098552898 /nfs/dbraw/zinc/55/28/98/1098552898.db2.gz JLFJRYCLOLAHLF-KRWDZBQOSA-N 1 3 320.477 3.053 20 10 DGCDHO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]3CCCC[C@H]31)CNCCO2 ZINC001235868989 1099226870 /nfs/dbraw/zinc/22/68/70/1099226870.db2.gz XWTQMIVIOHIJJS-WMLDXEAASA-N 1 3 316.445 3.029 20 10 DGCDHO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3CCCC[C@H]31)CNCCO2 ZINC001235868989 1099226877 /nfs/dbraw/zinc/22/68/77/1099226877.db2.gz XWTQMIVIOHIJJS-WMLDXEAASA-N 1 3 316.445 3.029 20 10 DGCDHO N[C@]12CC[C@@H]1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985524 1099310657 /nfs/dbraw/zinc/31/06/57/1099310657.db2.gz CTICOXQLMXHYDZ-APWZRJJASA-N 1 3 312.388 3.121 20 10 DGCDHO N[C@]12CC[C@@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985524 1099310667 /nfs/dbraw/zinc/31/06/67/1099310667.db2.gz CTICOXQLMXHYDZ-APWZRJJASA-N 1 3 312.388 3.121 20 10 DGCDHO CN(C)c1ccc(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236374086 1099561909 /nfs/dbraw/zinc/56/19/09/1099561909.db2.gz OXRHDKJJRWMESA-SFHVURJKSA-N 1 3 315.505 3.497 20 10 DGCDHO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236374086 1099561918 /nfs/dbraw/zinc/56/19/18/1099561918.db2.gz OXRHDKJJRWMESA-SFHVURJKSA-N 1 3 315.505 3.497 20 10 DGCDHO Cc1cc(C)c(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c([O-])c1 ZINC001246343701 1104498750 /nfs/dbraw/zinc/49/87/50/1104498750.db2.gz OAQGTPHRRQHVRP-UHFFFAOYSA-N 1 3 302.462 3.411 20 10 DGCDHO Cc1cc(C)c(C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)c([O-])c1 ZINC001246341951 1104499560 /nfs/dbraw/zinc/49/95/60/1104499560.db2.gz CVQCTNQSWSFYOX-UHFFFAOYSA-N 1 3 302.462 3.411 20 10 DGCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246523386 1104577695 /nfs/dbraw/zinc/57/76/95/1104577695.db2.gz GXGKQTUPBQBBHR-GLJUWKHASA-N 1 3 302.462 3.363 20 10 DGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246924385 1104738855 /nfs/dbraw/zinc/73/88/55/1104738855.db2.gz MFFVBEOUGYFTRE-OALUTQOASA-N 1 3 303.494 3.351 20 10 DGCDHO C[N@H+]1CC[C@H]2C[NH+](Cc3c([O-])ccc4ccccc43)C[C@H]2CC1 ZINC001276077256 1105009238 /nfs/dbraw/zinc/00/92/38/1105009238.db2.gz BTZDRVZUPYGKQI-CALCHBBNSA-N 1 3 310.441 3.319 20 10 DGCDHO C[N@@H+]1CC[C@H]2C[NH+](Cc3c([O-])ccc4ccccc43)C[C@H]2CC1 ZINC001276077256 1105009245 /nfs/dbraw/zinc/00/92/45/1105009245.db2.gz BTZDRVZUPYGKQI-CALCHBBNSA-N 1 3 310.441 3.319 20 10 DGCDHO C[NH+]1CC[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2CC1 ZINC001276077256 1105009249 /nfs/dbraw/zinc/00/92/49/1105009249.db2.gz BTZDRVZUPYGKQI-CALCHBBNSA-N 1 3 310.441 3.319 20 10 DGCDHO C[NH+]1CC[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2CC1 ZINC001276077256 1105009257 /nfs/dbraw/zinc/00/92/57/1105009257.db2.gz BTZDRVZUPYGKQI-CALCHBBNSA-N 1 3 310.441 3.319 20 10 DGCDHO C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001324745706 1108449876 /nfs/dbraw/zinc/44/98/76/1108449876.db2.gz FAKPBHBRIYQZLQ-LPHOPBHVSA-N 1 3 301.478 3.201 20 10 DGCDHO C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001324745706 1108449879 /nfs/dbraw/zinc/44/98/79/1108449879.db2.gz FAKPBHBRIYQZLQ-LPHOPBHVSA-N 1 3 301.478 3.201 20 10 DGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717061 1108607687 /nfs/dbraw/zinc/60/76/87/1108607687.db2.gz KGKAYNOIMZDCOT-XLIONFOSSA-N 1 3 315.505 3.449 20 10 DGCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717061 1108607694 /nfs/dbraw/zinc/60/76/94/1108607694.db2.gz KGKAYNOIMZDCOT-XLIONFOSSA-N 1 3 315.505 3.449 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1F ZINC001308553123 1111443279 /nfs/dbraw/zinc/44/32/79/1111443279.db2.gz HETCWGRLVYBSND-LZLYRXPVSA-N 1 3 319.468 3.102 20 10 DGCDHO C[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)c1ccccc1[O-] ZINC001308902254 1111490313 /nfs/dbraw/zinc/49/03/13/1111490313.db2.gz LGYWHFXMPHFDHB-LYGPFTKASA-N 1 3 318.461 3.076 20 10 DGCDHO CCCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c([O-])c1 ZINC000092381250 185315034 /nfs/dbraw/zinc/31/50/34/185315034.db2.gz ZEDGRZNLPICPCJ-UHFFFAOYSA-N 1 3 320.477 3.345 20 10 DGCDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000284297109 131067277 /nfs/dbraw/zinc/06/72/77/131067277.db2.gz YKELALAXAUHOJN-HOTGVXAUSA-N 1 3 308.466 3.016 20 10 DGCDHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185563791 432510072 /nfs/dbraw/zinc/51/00/72/432510072.db2.gz KCJPTROESCMFQX-AWEZNQCLSA-N 1 3 306.450 3.173 20 10 DGCDHO COc1ccc(O)c([C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000186545763 432605461 /nfs/dbraw/zinc/60/54/61/432605461.db2.gz ZACDAZUGMJXWDO-HUUCEWRRSA-N 1 3 306.450 3.316 20 10 DGCDHO CCC[N@H+](Cc1ccccc1[O-])Cc1cccc2c1CC[NH2+]C2 ZINC000852744679 620644935 /nfs/dbraw/zinc/64/49/35/620644935.db2.gz GSZHMSPZSCSLTR-UHFFFAOYSA-N 1 3 310.441 3.450 20 10 DGCDHO CCC[N@@H+](Cc1ccccc1[O-])Cc1cccc2c1CC[NH2+]C2 ZINC000852744679 620644938 /nfs/dbraw/zinc/64/49/38/620644938.db2.gz GSZHMSPZSCSLTR-UHFFFAOYSA-N 1 3 310.441 3.450 20 10 DGCDHO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c1 ZINC000853241516 620681472 /nfs/dbraw/zinc/68/14/72/620681472.db2.gz WKFIPNZQQOOZBV-DOTOQJQBSA-N 1 3 302.462 3.473 20 10 DGCDHO COc1cccc([O-])c1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904412466 619921181 /nfs/dbraw/zinc/92/11/81/619921181.db2.gz UCLPADWGVIRZSV-OAHLLOKOSA-N 1 3 318.461 3.003 20 10 DGCDHO CCN(CC)c1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000841086251 620218583 /nfs/dbraw/zinc/21/85/83/620218583.db2.gz GPMAUTXMAXRQBB-UYAOXDASSA-N 1 3 315.505 3.497 20 10 DGCDHO CCN(CC)c1ccc(CN2CCC(C[NH+](C)C)CC2)cc1F ZINC000768304101 622449774 /nfs/dbraw/zinc/44/97/74/622449774.db2.gz WTFDHKUJXJIEPX-UHFFFAOYSA-N 1 3 321.484 3.446 20 10 DGCDHO CCN(CC)c1ccc(CN(C)C2CC[NH+](CC)CC2)cc1 ZINC000125283118 623417334 /nfs/dbraw/zinc/41/73/34/623417334.db2.gz ADNQIHBAOSTVTH-UHFFFAOYSA-N 1 3 303.494 3.449 20 10 DGCDHO CSC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC[NH+](C)CC1 ZINC000810252050 626992237 /nfs/dbraw/zinc/99/22/37/626992237.db2.gz HBALBVOBXKTMCY-GFCCVEGCSA-N 1 3 312.454 3.009 20 10 DGCDHO Cc1cc(CN(C)C2CC[NH+](C(C)C)CC2)ccc1N(C)C ZINC000815034146 627618105 /nfs/dbraw/zinc/61/81/05/627618105.db2.gz FFWBRNQZIIKRQN-UHFFFAOYSA-N 1 3 303.494 3.366 20 10 DGCDHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965475 627977463 /nfs/dbraw/zinc/97/74/63/627977463.db2.gz RKRBWKBORRVFBD-BEFAXECRSA-N 1 3 301.478 3.455 20 10 DGCDHO Cc1cc(N(C)C)ccc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000840940800 630381455 /nfs/dbraw/zinc/38/14/55/630381455.db2.gz GFGKSJIPJKWLPW-UHFFFAOYSA-N 1 3 301.478 3.168 20 10 DGCDHO CCOc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c([O-])c1 ZINC000841087839 630406603 /nfs/dbraw/zinc/40/66/03/630406603.db2.gz VTHGNVLWEUUAQX-SFHVURJKSA-N 1 3 314.429 3.361 20 10 DGCDHO CCOc1cccc(C[N@H+](CCC[NH3+])CC2CCCC2)c1[O-] ZINC000843124299 630615652 /nfs/dbraw/zinc/61/56/52/630615652.db2.gz XTKLOVFSAUHZGA-UHFFFAOYSA-N 1 3 306.450 3.132 20 10 DGCDHO CCOc1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1[O-] ZINC000843124299 630615654 /nfs/dbraw/zinc/61/56/54/630615654.db2.gz XTKLOVFSAUHZGA-UHFFFAOYSA-N 1 3 306.450 3.132 20 10 DGCDHO Cc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000843127730 630616851 /nfs/dbraw/zinc/61/68/51/630616851.db2.gz SWMCUSVWEYSGNY-CQSZACIVSA-N 1 3 308.853 3.176 20 10 DGCDHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2c1c(F)ccc2[O-] ZINC000843344082 630648210 /nfs/dbraw/zinc/64/82/10/630648210.db2.gz PPXZWBMDYRJPLI-XHDPSFHLSA-N 1 3 300.377 3.328 20 10 DGCDHO CCN1CC[C@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850034830 632034660 /nfs/dbraw/zinc/03/46/60/632034660.db2.gz REIREGXTXQZYSL-CQSZACIVSA-N 1 3 320.477 3.130 20 10 DGCDHO COc1cc(CN[C@@H](C)CC[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000850097174 632055228 /nfs/dbraw/zinc/05/52/28/632055228.db2.gz SWFHSZNXHDMSIH-ZDUSSCGKSA-N 1 3 308.466 3.128 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC001658028665 1196204061 /nfs/dbraw/zinc/20/40/61/1196204061.db2.gz YTDSFGCHOOQTFO-AEFFLSMTSA-N 1 3 302.462 3.432 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC001658028665 1196204068 /nfs/dbraw/zinc/20/40/68/1196204068.db2.gz YTDSFGCHOOQTFO-AEFFLSMTSA-N 1 3 302.462 3.432 20 10 DGCDHO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1C ZINC001658176129 1196221424 /nfs/dbraw/zinc/22/14/24/1196221424.db2.gz ZHWJHHUFOMYWBH-OKZBNKHCSA-N 1 3 302.462 3.214 20 10 DGCDHO Cc1cc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccc1N(C)C ZINC001659975371 1196433676 /nfs/dbraw/zinc/43/36/76/1196433676.db2.gz LRTGTSBWCRSCEY-QGZVFWFLSA-N 1 3 324.472 3.167 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)C[C@@H]3CC3(C)C)cc2)CC1 ZINC001140305762 1091821099 /nfs/dbraw/zinc/82/10/99/1091821099.db2.gz HGPCMIOTQHMEJS-SFHVURJKSA-N 1 3 315.505 3.306 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CC3(C)C)cc2)CC1 ZINC001140305762 1091821106 /nfs/dbraw/zinc/82/11/06/1091821106.db2.gz HGPCMIOTQHMEJS-SFHVURJKSA-N 1 3 315.505 3.306 20 10 DGCDHO CC[NH+]1CCC(N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001169258571 1092621024 /nfs/dbraw/zinc/62/10/24/1092621024.db2.gz MSAHHXDJMQTBHP-UHFFFAOYSA-N 1 3 301.478 3.203 20 10 DGCDHO Cc1cc(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1N(C)C ZINC001176280716 1098298957 /nfs/dbraw/zinc/29/89/57/1098298957.db2.gz DXBONMRPYODMPN-KRWDZBQOSA-N 1 3 324.472 3.167 20 10 DGCDHO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206317075 1098710267 /nfs/dbraw/zinc/71/02/67/1098710267.db2.gz CGVDMQHPKPNXFI-MRXNPFEDSA-N 1 3 312.841 3.005 20 10 DGCDHO COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206317075 1098710275 /nfs/dbraw/zinc/71/02/75/1098710275.db2.gz CGVDMQHPKPNXFI-MRXNPFEDSA-N 1 3 312.841 3.005 20 10 DGCDHO CCc1ccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235153114 1098840171 /nfs/dbraw/zinc/84/01/71/1098840171.db2.gz DVBSPVMZNQUAPV-SFHVURJKSA-N 1 3 302.462 3.309 20 10 DGCDHO CCc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235153114 1098840179 /nfs/dbraw/zinc/84/01/79/1098840179.db2.gz DVBSPVMZNQUAPV-SFHVURJKSA-N 1 3 302.462 3.309 20 10 DGCDHO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235960529 1099293928 /nfs/dbraw/zinc/29/39/28/1099293928.db2.gz YTKRVJVNANZKJX-OPVJXMOQSA-N 1 3 309.457 3.263 20 10 DGCDHO Cc1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1N(C)C ZINC001236599918 1099695588 /nfs/dbraw/zinc/69/55/88/1099695588.db2.gz WZUFZTANJLUHCM-QGZVFWFLSA-N 1 3 301.478 3.025 20 10 DGCDHO C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001324745704 1108449698 /nfs/dbraw/zinc/44/96/98/1108449698.db2.gz FAKPBHBRIYQZLQ-APWZRJJASA-N 1 3 301.478 3.201 20 10 DGCDHO C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001324745704 1108449704 /nfs/dbraw/zinc/44/97/04/1108449704.db2.gz FAKPBHBRIYQZLQ-APWZRJJASA-N 1 3 301.478 3.201 20 10 DGCDHO COc1cc(C)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c([O-])c1 ZINC001308719499 1111465835 /nfs/dbraw/zinc/46/58/35/1111465835.db2.gz ABRMKNUWJNLUIT-UHFFFAOYSA-N 1 3 318.461 3.017 20 10 DGCDHO COc1cc(C)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c([O-])c1 ZINC001308719499 1111465837 /nfs/dbraw/zinc/46/58/37/1111465837.db2.gz ABRMKNUWJNLUIT-UHFFFAOYSA-N 1 3 318.461 3.017 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000284297112 131067748 /nfs/dbraw/zinc/06/77/48/131067748.db2.gz YKELALAXAUHOJN-HZPDHXFCSA-N 1 3 308.466 3.016 20 10 DGCDHO CCOc1cccc(C[N@H+](C)CC[C@@H]2CCCCN2C)c1O ZINC000093660020 431916999 /nfs/dbraw/zinc/91/69/99/431916999.db2.gz URMYIELZQDNIMF-INIZCTEOSA-N 1 3 306.450 3.097 20 10 DGCDHO CCOc1cccc(C[N@@H+](C)CC[C@@H]2CCCCN2C)c1O ZINC000093660020 431917001 /nfs/dbraw/zinc/91/70/01/431917001.db2.gz URMYIELZQDNIMF-INIZCTEOSA-N 1 3 306.450 3.097 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280166362 433008385 /nfs/dbraw/zinc/00/83/85/433008385.db2.gz QYTYHOOKYAHHSD-NVXWUHKLSA-N 1 3 308.466 3.098 20 10 DGCDHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792855 332248636 /nfs/dbraw/zinc/24/86/36/332248636.db2.gz OROXUJWLBWYLLU-NEWSRXKRSA-N 1 3 301.478 3.420 20 10 DGCDHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792855 332248637 /nfs/dbraw/zinc/24/86/37/332248637.db2.gz OROXUJWLBWYLLU-NEWSRXKRSA-N 1 3 301.478 3.420 20 10 DGCDHO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c1 ZINC000853241521 620681393 /nfs/dbraw/zinc/68/13/93/620681393.db2.gz WKFIPNZQQOOZBV-WBVHZDCISA-N 1 3 302.462 3.473 20 10 DGCDHO CC[NH+](CC)CCOCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757675121 621732998 /nfs/dbraw/zinc/73/29/98/621732998.db2.gz ZYBJTKDQRPVOJV-ZFWWWQNUSA-N 1 3 324.440 3.028 20 10 DGCDHO C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000129226678 625560043 /nfs/dbraw/zinc/56/00/43/625560043.db2.gz AKRPREMIDIUEGI-VQIMIIECSA-N 1 3 310.441 3.462 20 10 DGCDHO C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000129226678 625560059 /nfs/dbraw/zinc/56/00/59/625560059.db2.gz AKRPREMIDIUEGI-VQIMIIECSA-N 1 3 310.441 3.462 20 10 DGCDHO C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000129226678 625560066 /nfs/dbraw/zinc/56/00/66/625560066.db2.gz AKRPREMIDIUEGI-VQIMIIECSA-N 1 3 310.441 3.462 20 10 DGCDHO C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2c([O-])ccc3ccccc32)C1 ZINC000129226678 625560072 /nfs/dbraw/zinc/56/00/72/625560072.db2.gz AKRPREMIDIUEGI-VQIMIIECSA-N 1 3 310.441 3.462 20 10 DGCDHO CC1(C)C[NH2+]CC[C@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC000872251241 622867414 /nfs/dbraw/zinc/86/74/14/622867414.db2.gz ISEKJOOIPHQTIF-KRWDZBQOSA-N 1 3 301.478 3.155 20 10 DGCDHO CN(C)c1ccc(/C=C\CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000872253977 622867939 /nfs/dbraw/zinc/86/79/39/622867939.db2.gz NZXYKJPCSQKHCU-KEGWNNHHSA-N 1 3 301.478 3.134 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)ccc21 ZINC000796726882 626076706 /nfs/dbraw/zinc/07/67/06/626076706.db2.gz GIUFSKXTQIACGC-NLWGTHIKSA-N 1 3 313.489 3.031 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)ccc21 ZINC000796726882 626076708 /nfs/dbraw/zinc/07/67/08/626076708.db2.gz GIUFSKXTQIACGC-NLWGTHIKSA-N 1 3 313.489 3.031 20 10 DGCDHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)c2c1c(F)ccc2[O-] ZINC000817950250 627972574 /nfs/dbraw/zinc/97/25/74/627972574.db2.gz XDFSHVSVVMAAMJ-BLLLJJGKSA-N 1 3 314.404 3.371 20 10 DGCDHO CN(C)c1ccc(/C=C\CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000835052954 629837369 /nfs/dbraw/zinc/83/73/69/629837369.db2.gz IVBVXDIXBKQSPH-FTKDCLMVSA-N 1 3 313.489 3.182 20 10 DGCDHO CN(C)c1ccc(/C=C\CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000835052954 629837371 /nfs/dbraw/zinc/83/73/71/629837371.db2.gz IVBVXDIXBKQSPH-FTKDCLMVSA-N 1 3 313.489 3.182 20 10 DGCDHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843051924 630608751 /nfs/dbraw/zinc/60/87/51/630608751.db2.gz MWBSZPGJMBJSAD-SJLPKXTDSA-N 1 3 301.478 3.236 20 10 DGCDHO Cc1cc(Cl)cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000843127728 630617179 /nfs/dbraw/zinc/61/71/79/630617179.db2.gz SWMCUSVWEYSGNY-AWEZNQCLSA-N 1 3 308.853 3.176 20 10 DGCDHO CCN(CC)c1ccc(CNCc2ccc(C[NH3+])cc2)cc1F ZINC000843128490 630617307 /nfs/dbraw/zinc/61/73/07/630617307.db2.gz LOBIGNXRZHQARI-UHFFFAOYSA-N 1 3 315.436 3.420 20 10 DGCDHO CN(C)c1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000849349534 631900306 /nfs/dbraw/zinc/90/03/06/631900306.db2.gz CDHXNRYSFGLNTF-QGZVFWFLSA-N 1 3 319.468 3.103 20 10 DGCDHO [O-]c1cccc2c1[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000850582761 632202224 /nfs/dbraw/zinc/20/22/24/632202224.db2.gz LCFYEHMWMLILJU-QGZVFWFLSA-N 1 3 300.446 3.091 20 10 DGCDHO C[N@@H+]1CCC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000068722631 655598313 /nfs/dbraw/zinc/59/83/13/655598313.db2.gz UGKDTUOAGZMADX-GOSISDBHSA-N 1 3 301.478 3.108 20 10 DGCDHO C[N@H+]1CCC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000068722631 655598314 /nfs/dbraw/zinc/59/83/14/655598314.db2.gz UGKDTUOAGZMADX-GOSISDBHSA-N 1 3 301.478 3.108 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000314034578 656055374 /nfs/dbraw/zinc/05/53/74/656055374.db2.gz CRNGQNYSUPTGBK-UHFFFAOYSA-N 1 3 303.494 3.498 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000174629096 659454118 /nfs/dbraw/zinc/45/41/18/659454118.db2.gz ABJHBJQANGVAIB-VQIMIIECSA-N 1 3 303.494 3.353 20 10 DGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000174629096 659454120 /nfs/dbraw/zinc/45/41/20/659454120.db2.gz ABJHBJQANGVAIB-VQIMIIECSA-N 1 3 303.494 3.353 20 10 DGCDHO [NH3+][C@@H]1CC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC001580387583 1192024854 /nfs/dbraw/zinc/02/48/54/1192024854.db2.gz NVGHHIRJMGHREV-GOEBONIOSA-N 1 3 300.402 3.115 20 10 DGCDHO [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC001580387583 1192024857 /nfs/dbraw/zinc/02/48/57/1192024857.db2.gz NVGHHIRJMGHREV-GOEBONIOSA-N 1 3 300.402 3.115 20 10 DGCDHO COc1cc(CN2CCC(C)(C)CC2)cc(C[NH+](C)C)c1O ZINC001139257621 1091502809 /nfs/dbraw/zinc/50/28/09/1091502809.db2.gz ZNCQEBMTEUCYSF-UHFFFAOYSA-N 1 3 306.450 3.084 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+](C)C3CC(C)C3)cc2)CC1 ZINC001140301833 1091818636 /nfs/dbraw/zinc/81/86/36/1091818636.db2.gz ASJCALVXEMSHLZ-UHFFFAOYSA-N 1 3 301.478 3.059 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+](C)C3CC(C)C3)cc2)CC1 ZINC001140301833 1091818640 /nfs/dbraw/zinc/81/86/40/1091818640.db2.gz ASJCALVXEMSHLZ-UHFFFAOYSA-N 1 3 301.478 3.059 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC4(CCC4)C3)cc2)CC1 ZINC001140305951 1091821028 /nfs/dbraw/zinc/82/10/28/1091821028.db2.gz IVTIEQLGDFMSBJ-UHFFFAOYSA-N 1 3 313.489 3.205 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC4(CCC4)C3)cc2)CC1 ZINC001140305951 1091821039 /nfs/dbraw/zinc/82/10/39/1091821039.db2.gz IVTIEQLGDFMSBJ-UHFFFAOYSA-N 1 3 313.489 3.205 20 10 DGCDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC001169094971 1092524051 /nfs/dbraw/zinc/52/40/51/1092524051.db2.gz ODDDIWSGPRRXCG-FNLKRUPLSA-N 1 3 313.489 3.392 20 10 DGCDHO Cc1c(CN2CCC[C@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222264517 1095520532 /nfs/dbraw/zinc/52/05/32/1095520532.db2.gz CYUMJGGUPHMYCN-FQEVSTJZSA-N 1 3 311.473 3.452 20 10 DGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c([O-])c1 ZINC001235092259 1098796030 /nfs/dbraw/zinc/79/60/30/1098796030.db2.gz JSRWBKCEBUNFES-UHFFFAOYSA-N 1 3 302.462 3.265 20 10 DGCDHO CC(C)(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c([O-])c1 ZINC001235092259 1098796040 /nfs/dbraw/zinc/79/60/40/1098796040.db2.gz JSRWBKCEBUNFES-UHFFFAOYSA-N 1 3 302.462 3.265 20 10 DGCDHO COc1cc(C)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235241117 1098914260 /nfs/dbraw/zinc/91/42/60/1098914260.db2.gz YLHLJJAZTBYUKG-GOSISDBHSA-N 1 3 318.461 3.063 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc21 ZINC001237384423 1100102264 /nfs/dbraw/zinc/10/22/64/1100102264.db2.gz WRJGEBHPUWNRHG-XLIONFOSSA-N 1 3 323.484 3.480 20 10 DGCDHO c1ccc(C[C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CCN2)cc1 ZINC001246199214 1104434276 /nfs/dbraw/zinc/43/42/76/1104434276.db2.gz KRYLOTLXBVNDDT-UXHICEINSA-N 1 3 322.452 3.074 20 10 DGCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCNC2(CCC2)C1 ZINC001246924890 1104739753 /nfs/dbraw/zinc/73/97/53/1104739753.db2.gz NKLDCNRBXSHGLR-SFHVURJKSA-N 1 3 301.478 3.249 20 10 DGCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCNC2(CCC2)C1 ZINC001246924890 1104739757 /nfs/dbraw/zinc/73/97/57/1104739757.db2.gz NKLDCNRBXSHGLR-SFHVURJKSA-N 1 3 301.478 3.249 20 10 DGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246924890 1104739761 /nfs/dbraw/zinc/73/97/61/1104739761.db2.gz NKLDCNRBXSHGLR-SFHVURJKSA-N 1 3 301.478 3.249 20 10 DGCDHO CN1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001254501032 1106083191 /nfs/dbraw/zinc/08/31/91/1106083191.db2.gz PELCACYYHRIBBB-SFHVURJKSA-N 1 3 301.478 3.251 20 10 DGCDHO C[N@@H+]1CCC[C@H](NCc2ccc(N3CCCCC3)cc2)CC1 ZINC001254501032 1106083196 /nfs/dbraw/zinc/08/31/96/1106083196.db2.gz PELCACYYHRIBBB-SFHVURJKSA-N 1 3 301.478 3.251 20 10 DGCDHO C[N@H+]1CCC[C@H](NCc2ccc(N3CCCCC3)cc2)CC1 ZINC001254501032 1106083203 /nfs/dbraw/zinc/08/32/03/1106083203.db2.gz PELCACYYHRIBBB-SFHVURJKSA-N 1 3 301.478 3.251 20 10 DGCDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273566833 130138639 /nfs/dbraw/zinc/13/86/39/130138639.db2.gz JTAWMMFLZAPNSS-CVEARBPZSA-N 1 3 308.466 3.016 20 10 DGCDHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430631 432332767 /nfs/dbraw/zinc/33/27/67/432332767.db2.gz YDUAXUQRACYFKK-HNAYVOBHSA-N 1 3 301.478 3.278 20 10 DGCDHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430631 432332770 /nfs/dbraw/zinc/33/27/70/432332770.db2.gz YDUAXUQRACYFKK-HNAYVOBHSA-N 1 3 301.478 3.278 20 10 DGCDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000185207102 432477210 /nfs/dbraw/zinc/47/72/10/432477210.db2.gz DFKKSPCJDHUVNU-ZNMIVQPWSA-N 1 3 324.440 3.071 20 10 DGCDHO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000185207102 432477214 /nfs/dbraw/zinc/47/72/14/432477214.db2.gz DFKKSPCJDHUVNU-ZNMIVQPWSA-N 1 3 324.440 3.071 20 10 DGCDHO C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000185207102 432477217 /nfs/dbraw/zinc/47/72/17/432477217.db2.gz DFKKSPCJDHUVNU-ZNMIVQPWSA-N 1 3 324.440 3.071 20 10 DGCDHO [O-]c1cccc2c1[C@@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000296960350 432942590 /nfs/dbraw/zinc/94/25/90/432942590.db2.gz RCBNPSVIAOWUQL-SFHVURJKSA-N 1 3 323.440 3.281 20 10 DGCDHO C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000295828955 434440192 /nfs/dbraw/zinc/44/01/92/434440192.db2.gz DUXTXSUYVVCXKO-RDJZCZTQSA-N 1 3 302.462 3.481 20 10 DGCDHO C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000295828955 434440197 /nfs/dbraw/zinc/44/01/97/434440197.db2.gz DUXTXSUYVVCXKO-RDJZCZTQSA-N 1 3 302.462 3.481 20 10 DGCDHO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792858 332248619 /nfs/dbraw/zinc/24/86/19/332248619.db2.gz OROXUJWLBWYLLU-WDSOQIARSA-N 1 3 301.478 3.420 20 10 DGCDHO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792858 332248620 /nfs/dbraw/zinc/24/86/20/332248620.db2.gz OROXUJWLBWYLLU-WDSOQIARSA-N 1 3 301.478 3.420 20 10 DGCDHO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000185358111 534204556 /nfs/dbraw/zinc/20/45/56/534204556.db2.gz VRNFCQFVBSHSEP-LSDHHAIUSA-N 1 3 306.450 3.172 20 10 DGCDHO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c1 ZINC000853241519 620681409 /nfs/dbraw/zinc/68/14/09/620681409.db2.gz WKFIPNZQQOOZBV-RDJZCZTQSA-N 1 3 302.462 3.473 20 10 DGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044003 618698488 /nfs/dbraw/zinc/69/84/88/618698488.db2.gz HPYDSVDCAQGCFT-GOEBONIOSA-N 1 3 306.450 3.014 20 10 DGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044003 618698489 /nfs/dbraw/zinc/69/84/89/618698489.db2.gz HPYDSVDCAQGCFT-GOEBONIOSA-N 1 3 306.450 3.014 20 10 DGCDHO CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000927037280 619259739 /nfs/dbraw/zinc/25/97/39/619259739.db2.gz MLLXXJFBPLSHOR-WUJZJPHMSA-N 1 3 300.446 3.376 20 10 DGCDHO CC(C)([NH3+])CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000903938747 619837955 /nfs/dbraw/zinc/83/79/55/619837955.db2.gz IXVBGYFRADNGCI-UHFFFAOYSA-N 1 3 314.429 3.188 20 10 DGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756639784 621655215 /nfs/dbraw/zinc/65/52/15/621655215.db2.gz FAIHJBLLEOFNCT-GZBFAFLISA-N 1 3 324.440 3.026 20 10 DGCDHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(N2CCCCC2)cc1 ZINC000863545396 621682559 /nfs/dbraw/zinc/68/25/59/621682559.db2.gz QRLUIVGEWXFPEZ-NUJGCVRESA-N 1 3 301.478 3.468 20 10 DGCDHO CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000866468257 622123355 /nfs/dbraw/zinc/12/33/55/622123355.db2.gz DFBBMQFVZBYYCB-KRWDZBQOSA-N 1 3 302.462 3.480 20 10 DGCDHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768926808 622485576 /nfs/dbraw/zinc/48/55/76/622485576.db2.gz OAUMTROPTJPPDS-UHFFFAOYSA-N 1 3 321.484 3.444 20 10 DGCDHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768926808 622485577 /nfs/dbraw/zinc/48/55/77/622485577.db2.gz OAUMTROPTJPPDS-UHFFFAOYSA-N 1 3 321.484 3.444 20 10 DGCDHO CN(C)c1ccc(/C=C/CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000872253976 622868353 /nfs/dbraw/zinc/86/83/53/622868353.db2.gz NZXYKJPCSQKHCU-FUTAKVPZSA-N 1 3 301.478 3.134 20 10 DGCDHO CCN(C)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000773766313 623070586 /nfs/dbraw/zinc/07/05/86/623070586.db2.gz RPJPIWSXUTVAEO-MJGOQNOKSA-N 1 3 301.478 3.059 20 10 DGCDHO CCN(C)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000773766313 623070592 /nfs/dbraw/zinc/07/05/92/623070592.db2.gz RPJPIWSXUTVAEO-MJGOQNOKSA-N 1 3 301.478 3.059 20 10 DGCDHO COc1cccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1[O-] ZINC000877767576 624028392 /nfs/dbraw/zinc/02/83/92/624028392.db2.gz OLZKWHMWBGTFML-UHFFFAOYSA-N 1 3 320.477 3.201 20 10 DGCDHO COc1cccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1[O-] ZINC000877767576 624028396 /nfs/dbraw/zinc/02/83/96/624028396.db2.gz OLZKWHMWBGTFML-UHFFFAOYSA-N 1 3 320.477 3.201 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)ccc21 ZINC000796726888 626076689 /nfs/dbraw/zinc/07/66/89/626076689.db2.gz GIUFSKXTQIACGC-QWFCFKBJSA-N 1 3 313.489 3.031 20 10 DGCDHO CN1CCCc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)ccc21 ZINC000796726888 626076690 /nfs/dbraw/zinc/07/66/90/626076690.db2.gz GIUFSKXTQIACGC-QWFCFKBJSA-N 1 3 313.489 3.031 20 10 DGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057646 627620593 /nfs/dbraw/zinc/62/05/93/627620593.db2.gz WHZDQAACGPYWBQ-AEFFLSMTSA-N 1 3 303.494 3.366 20 10 DGCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057646 627620594 /nfs/dbraw/zinc/62/05/94/627620594.db2.gz WHZDQAACGPYWBQ-AEFFLSMTSA-N 1 3 303.494 3.366 20 10 DGCDHO COc1cc(Cl)cc(C[NH2+]C2CCC([NH+](C)C)CC2)c1[O-] ZINC000817416120 627897073 /nfs/dbraw/zinc/89/70/73/627897073.db2.gz JTGAQQSGDABSOS-UHFFFAOYSA-N 1 3 312.841 3.017 20 10 DGCDHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965477 627977696 /nfs/dbraw/zinc/97/76/96/627977696.db2.gz RKRBWKBORRVFBD-DNVCBOLYSA-N 1 3 301.478 3.455 20 10 DGCDHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965611 627977776 /nfs/dbraw/zinc/97/77/76/627977776.db2.gz SCYGDSOZGTYXLM-DYVFJYSZSA-N 1 3 305.441 3.204 20 10 DGCDHO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc2c(cc1[O-])CCCC2 ZINC000817987534 627984336 /nfs/dbraw/zinc/98/43/36/627984336.db2.gz UCMQDCTWTFDFDN-OKDNKWQNSA-N 1 3 314.473 3.310 20 10 DGCDHO CN(C)c1ccc(/C=C\C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000835045397 629833752 /nfs/dbraw/zinc/83/37/52/629833752.db2.gz LNDBQJDXJCTMEB-XQRVVYSFSA-N 1 3 313.489 3.326 20 10 DGCDHO CN(C)c1ccc(/C=C\C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000835045397 629833755 /nfs/dbraw/zinc/83/37/55/629833755.db2.gz LNDBQJDXJCTMEB-XQRVVYSFSA-N 1 3 313.489 3.326 20 10 DGCDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054455 629838263 /nfs/dbraw/zinc/83/82/63/629838263.db2.gz VTHZOHJBQCIHMV-NHBNWDHASA-N 1 3 301.478 3.038 20 10 DGCDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054455 629838270 /nfs/dbraw/zinc/83/82/70/629838270.db2.gz VTHZOHJBQCIHMV-NHBNWDHASA-N 1 3 301.478 3.038 20 10 DGCDHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054457 629838994 /nfs/dbraw/zinc/83/89/94/629838994.db2.gz VTHZOHJBQCIHMV-QXJVMSCWSA-N 1 3 301.478 3.038 20 10 DGCDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054457 629838998 /nfs/dbraw/zinc/83/89/98/629838998.db2.gz VTHZOHJBQCIHMV-QXJVMSCWSA-N 1 3 301.478 3.038 20 10 DGCDHO C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000841033487 630399353 /nfs/dbraw/zinc/39/93/53/630399353.db2.gz OZKZBUTVMAWIDA-AEFFLSMTSA-N 1 3 301.478 3.155 20 10 DGCDHO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127250 630617072 /nfs/dbraw/zinc/61/70/72/630617072.db2.gz PBTIIIGFNADPBC-HOTGVXAUSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127250 630617075 /nfs/dbraw/zinc/61/70/75/630617075.db2.gz PBTIIIGFNADPBC-HOTGVXAUSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127248 630617333 /nfs/dbraw/zinc/61/73/33/630617333.db2.gz PBTIIIGFNADPBC-CVEARBPZSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127248 630617334 /nfs/dbraw/zinc/61/73/34/630617334.db2.gz PBTIIIGFNADPBC-CVEARBPZSA-N 1 3 318.461 3.003 20 10 DGCDHO C[C@@H]([NH2+]CCCN1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000184899732 660194330 /nfs/dbraw/zinc/19/43/30/660194330.db2.gz MAYIQYIBCRGEDA-OAHLLOKOSA-N 1 3 302.462 3.408 20 10 DGCDHO Cc1cc(C[N@@H+]2CCCC[C@@H]2CN)ccc1N1CCCCC1 ZINC001579598448 1191981855 /nfs/dbraw/zinc/98/18/55/1191981855.db2.gz WJNNDCONEWFKEP-GOSISDBHSA-N 1 3 301.478 3.299 20 10 DGCDHO Cc1cc(C[N@H+]2CCCC[C@@H]2CN)ccc1N1CCCCC1 ZINC001579598448 1191981857 /nfs/dbraw/zinc/98/18/57/1191981857.db2.gz WJNNDCONEWFKEP-GOSISDBHSA-N 1 3 301.478 3.299 20 10 DGCDHO COc1cc(CN2CCC(C(C)C)CC2)cc(C[NH+](C)C)c1O ZINC001139258830 1091504537 /nfs/dbraw/zinc/50/45/37/1091504537.db2.gz XQCSLPZPOYIJQZ-UHFFFAOYSA-N 1 3 320.477 3.330 20 10 DGCDHO CC(C)(C)c1ccc(O)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222149034 1095458874 /nfs/dbraw/zinc/45/88/74/1095458874.db2.gz VIXQQFINDKSHRW-LJQANCHMSA-N 1 3 302.462 3.265 20 10 DGCDHO Cc1cc(Cl)cc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c1[O-] ZINC001222461379 1095625102 /nfs/dbraw/zinc/62/51/02/1095625102.db2.gz RNGRWANFGRIONE-UHFFFAOYSA-N 1 3 308.853 3.320 20 10 DGCDHO Oc1cc2c(cc1C[NH+]1CCC3(CCCC3)CC1)CNCCO2 ZINC001235152856 1098840240 /nfs/dbraw/zinc/84/02/40/1098840240.db2.gz BVDJDJGLGYBPQB-UHFFFAOYSA-N 1 3 316.445 3.030 20 10 DGCDHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235155292 1098842143 /nfs/dbraw/zinc/84/21/43/1098842143.db2.gz OAWCTKILCUEAFB-GOSISDBHSA-N 1 3 302.462 3.363 20 10 DGCDHO Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1[O-] ZINC001235155292 1098842155 /nfs/dbraw/zinc/84/21/55/1098842155.db2.gz OAWCTKILCUEAFB-GOSISDBHSA-N 1 3 302.462 3.363 20 10 DGCDHO Cc1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC001235420606 1099012620 /nfs/dbraw/zinc/01/26/20/1099012620.db2.gz ACUVUDXPKXIJRE-CABCVRRESA-N 1 3 306.425 3.051 20 10 DGCDHO Cc1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC001235420606 1099012633 /nfs/dbraw/zinc/01/26/33/1099012633.db2.gz ACUVUDXPKXIJRE-CABCVRRESA-N 1 3 306.425 3.051 20 10 DGCDHO C[NH2+]C1CCC([N@H+](C)Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001236214369 1099469648 /nfs/dbraw/zinc/46/96/48/1099469648.db2.gz BXUQBGXYBSDOGN-UHFFFAOYSA-N 1 3 316.367 3.373 20 10 DGCDHO C[NH2+]C1CCC([N@@H+](C)Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001236214369 1099469654 /nfs/dbraw/zinc/46/96/54/1099469654.db2.gz BXUQBGXYBSDOGN-UHFFFAOYSA-N 1 3 316.367 3.373 20 10 DGCDHO Cc1cc(C[N@@H+]2CCCN(c3ccncc3)CC2)ccc1N(C)C ZINC001195535327 1101156061 /nfs/dbraw/zinc/15/60/61/1101156061.db2.gz IORPZUSSFYNJRH-UHFFFAOYSA-N 1 3 324.472 3.168 20 10 DGCDHO Cc1cc(C[N@H+]2CCCN(c3ccncc3)CC2)ccc1N(C)C ZINC001195535327 1101156065 /nfs/dbraw/zinc/15/60/65/1101156065.db2.gz IORPZUSSFYNJRH-UHFFFAOYSA-N 1 3 324.472 3.168 20 10 DGCDHO Cc1ccc(O)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000185206446 432477262 /nfs/dbraw/zinc/47/72/62/432477262.db2.gz NBPPNTJKIWOKNP-BBWFWOEESA-N 1 3 320.477 3.241 20 10 DGCDHO CC1CCN(c2ccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000157493458 432622228 /nfs/dbraw/zinc/62/22/28/432622228.db2.gz NUGQZINKDMDWMR-MJGOQNOKSA-N 1 3 315.505 3.495 20 10 DGCDHO CC1CCN(c2ccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000157493458 432622231 /nfs/dbraw/zinc/62/22/31/432622231.db2.gz NUGQZINKDMDWMR-MJGOQNOKSA-N 1 3 315.505 3.495 20 10 DGCDHO C[NH+](C)Cc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921505506 620876783 /nfs/dbraw/zinc/87/67/83/620876783.db2.gz ZDJXCTVRDBBHBS-UHFFFAOYSA-N 1 3 310.441 3.363 20 10 DGCDHO COc1cccc([O-])c1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922510042 621048883 /nfs/dbraw/zinc/04/88/83/621048883.db2.gz SEDLQUXLMAZVNN-UHFFFAOYSA-N 1 3 318.461 3.288 20 10 DGCDHO C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000873236236 623086889 /nfs/dbraw/zinc/08/68/89/623086889.db2.gz ZLPYQHQCUPWAQV-CJNGLKHVSA-N 1 3 302.393 3.142 20 10 DGCDHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(N)cc2)CC1 ZINC000841033880 630398989 /nfs/dbraw/zinc/39/89/89/630398989.db2.gz CSEZILQTKKIYCD-OXQOHEQNSA-N 1 3 315.505 3.444 20 10 DGCDHO C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000844904394 630973230 /nfs/dbraw/zinc/97/32/30/630973230.db2.gz KMCBGHBCNAMOMP-UHFFFAOYSA-N 1 3 304.821 3.363 20 10 DGCDHO CCc1cccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000848888480 631772865 /nfs/dbraw/zinc/77/28/65/631772865.db2.gz UZHGLJIUXCWNON-SFHVURJKSA-N 1 3 302.462 3.405 20 10 DGCDHO CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c([O-])c1 ZINC000849349565 631900439 /nfs/dbraw/zinc/90/04/39/631900439.db2.gz DFAHMRDYJPOALD-INIZCTEOSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c([O-])c1 ZINC000849350796 631901410 /nfs/dbraw/zinc/90/14/10/631901410.db2.gz WSLJPAUVTOGLCP-INIZCTEOSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c([O-])c1 ZINC000849350796 631901415 /nfs/dbraw/zinc/90/14/15/631901415.db2.gz WSLJPAUVTOGLCP-INIZCTEOSA-N 1 3 318.461 3.003 20 10 DGCDHO Cc1cc(CN2CC[C@@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000172507633 659340784 /nfs/dbraw/zinc/34/07/84/659340784.db2.gz GNVIOZDCFLAKKQ-HNNXBMFYSA-N 1 3 304.478 3.382 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001653025842 1195681496 /nfs/dbraw/zinc/68/14/96/1195681496.db2.gz OPDAPPGVIXJKRK-KRWDZBQOSA-N 1 3 324.472 3.167 20 10 DGCDHO CCN(C)c1ccc(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1 ZINC001654837237 1195845159 /nfs/dbraw/zinc/84/51/59/1195845159.db2.gz AXQZAZZUWANPMP-QGZVFWFLSA-N 1 3 324.472 3.248 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC001658028666 1196204435 /nfs/dbraw/zinc/20/44/35/1196204435.db2.gz YTDSFGCHOOQTFO-FUHWJXTLSA-N 1 3 302.462 3.432 20 10 DGCDHO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC001658028666 1196204443 /nfs/dbraw/zinc/20/44/43/1196204443.db2.gz YTDSFGCHOOQTFO-FUHWJXTLSA-N 1 3 302.462 3.432 20 10 DGCDHO C[C@@H](CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)N(C)C ZINC001203270797 1090711105 /nfs/dbraw/zinc/71/11/05/1090711105.db2.gz OSLPAIHATFDGKF-LBPRGKRZSA-N 1 3 317.399 3.201 20 10 DGCDHO CC[N@H+]1C[C@H]2CN(Cc3ccc(N(C)C)c4ccccc34)C[C@H]2C1 ZINC001204241015 1090932169 /nfs/dbraw/zinc/93/21/69/1090932169.db2.gz RIBSYOHEFXLEPW-HDICACEKSA-N 1 3 323.484 3.289 20 10 DGCDHO CC[N@@H+]1C[C@H]2CN(Cc3ccc(N(C)C)c4ccccc34)C[C@H]2C1 ZINC001204241015 1090932173 /nfs/dbraw/zinc/93/21/73/1090932173.db2.gz RIBSYOHEFXLEPW-HDICACEKSA-N 1 3 323.484 3.289 20 10 DGCDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC001206003470 1091446686 /nfs/dbraw/zinc/44/66/86/1091446686.db2.gz IIGJHMLRQWHGEH-CVEARBPZSA-N 1 3 319.493 3.045 20 10 DGCDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC001206003470 1091446690 /nfs/dbraw/zinc/44/66/90/1091446690.db2.gz IIGJHMLRQWHGEH-CVEARBPZSA-N 1 3 319.493 3.045 20 10 DGCDHO C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001206326868 1091580650 /nfs/dbraw/zinc/58/06/50/1091580650.db2.gz PYFAYILUERRHGB-HNNXBMFYSA-N 1 3 316.367 3.362 20 10 DGCDHO C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001206326868 1091580658 /nfs/dbraw/zinc/58/06/58/1091580658.db2.gz PYFAYILUERRHGB-HNNXBMFYSA-N 1 3 316.367 3.362 20 10 DGCDHO CCCCC[N@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140299600 1091818177 /nfs/dbraw/zinc/81/81/77/1091818177.db2.gz BIXAOXWJZJFWRA-UHFFFAOYSA-N 1 3 303.494 3.451 20 10 DGCDHO CCCCC[N@@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140299600 1091818187 /nfs/dbraw/zinc/81/81/87/1091818187.db2.gz BIXAOXWJZJFWRA-UHFFFAOYSA-N 1 3 303.494 3.451 20 10 DGCDHO CCN1CCN(c2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC001140299754 1091818712 /nfs/dbraw/zinc/81/87/12/1091818712.db2.gz FBYCHEUDAPMNSU-UHFFFAOYSA-N 1 3 301.478 3.060 20 10 DGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@](C)(CF)C3)cc2)CC1 ZINC001140302646 1091819995 /nfs/dbraw/zinc/81/99/95/1091819995.db2.gz WTELZVKYNLLVMM-LJQANCHMSA-N 1 3 319.468 3.010 20 10 DGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@](C)(CF)C3)cc2)CC1 ZINC001140302646 1091820000 /nfs/dbraw/zinc/82/00/00/1091820000.db2.gz WTELZVKYNLLVMM-LJQANCHMSA-N 1 3 319.468 3.010 20 10 DGCDHO C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111881 1092616619 /nfs/dbraw/zinc/61/66/19/1092616619.db2.gz HJIWCTRVPLPZIC-LJQANCHMSA-N 1 3 302.462 3.217 20 10 DGCDHO C[N@H+]1CC[C@@]2(CCN(Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111881 1092616623 /nfs/dbraw/zinc/61/66/23/1092616623.db2.gz HJIWCTRVPLPZIC-LJQANCHMSA-N 1 3 302.462 3.217 20 10 DGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000316871786 1095198289 /nfs/dbraw/zinc/19/82/89/1095198289.db2.gz WNZLDZRJAGAMAG-WCVJEAGWSA-N 1 3 300.446 3.465 20 10 DGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000316871786 1095198294 /nfs/dbraw/zinc/19/82/94/1095198294.db2.gz WNZLDZRJAGAMAG-WCVJEAGWSA-N 1 3 300.446 3.465 20 10 DGCDHO CN1CCC2(CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)CC1 ZINC001338881287 1095422909 /nfs/dbraw/zinc/42/29/09/1095422909.db2.gz KNQRCEOBPDDDPC-UHFFFAOYSA-N 1 3 313.489 3.347 20 10 DGCDHO CN1CCC2(CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)CC1 ZINC001338881287 1095422911 /nfs/dbraw/zinc/42/29/11/1095422911.db2.gz KNQRCEOBPDDDPC-UHFFFAOYSA-N 1 3 313.489 3.347 20 10 DGCDHO c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001118016081 1095922448 /nfs/dbraw/zinc/92/24/48/1095922448.db2.gz TURIBAFLHHTUCO-AZUAARDMSA-N 1 3 313.489 3.251 20 10 DGCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(N3CCCC3)cc1)C2 ZINC001172102928 1097052170 /nfs/dbraw/zinc/05/21/70/1097052170.db2.gz QWVLYTPQLYUURF-FNLKRUPLSA-N 1 3 313.489 3.392 20 10 DGCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(N3CCCC3)cc1)C2 ZINC001172102928 1097052175 /nfs/dbraw/zinc/05/21/75/1097052175.db2.gz QWVLYTPQLYUURF-FNLKRUPLSA-N 1 3 313.489 3.392 20 10 DGCDHO Cc1cc(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1N(C)C ZINC001176280734 1098298458 /nfs/dbraw/zinc/29/84/58/1098298458.db2.gz DXBONMRPYODMPN-QGZVFWFLSA-N 1 3 324.472 3.167 20 10 DGCDHO CCc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c([O-])c1 ZINC001236791425 1099788475 /nfs/dbraw/zinc/78/84/75/1099788475.db2.gz HIPBNBHCQPESGD-UHFFFAOYSA-N 1 3 302.462 3.262 20 10 DGCDHO CN(C)c1ccc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc21 ZINC001237384421 1100103605 /nfs/dbraw/zinc/10/36/05/1100103605.db2.gz WRJGEBHPUWNRHG-FXAWDEMLSA-N 1 3 323.484 3.480 20 10 DGCDHO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1F ZINC001308553125 1111443243 /nfs/dbraw/zinc/44/32/43/1111443243.db2.gz HETCWGRLVYBSND-SOLBZPMBSA-N 1 3 319.468 3.102 20 10 DGCDHO CCCOc1ccc(CNC[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001308965025 1111501571 /nfs/dbraw/zinc/50/15/71/1111501571.db2.gz BJFFNCKPHNEHSQ-SFHVURJKSA-N 1 3 302.462 3.215 20 10 DGCDHO Cc1cc([O-])c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000270050777 432228296 /nfs/dbraw/zinc/22/82/96/432228296.db2.gz MEGZOLPRRHYGGH-QGZVFWFLSA-N 1 3 302.462 3.173 20 10 DGCDHO Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000270050777 432228298 /nfs/dbraw/zinc/22/82/98/432228298.db2.gz MEGZOLPRRHYGGH-QGZVFWFLSA-N 1 3 302.462 3.173 20 10 DGCDHO COc1ccc(O)c([C@H](C)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000186545708 432605219 /nfs/dbraw/zinc/60/52/19/432605219.db2.gz ZACDAZUGMJXWDO-GJZGRUSLSA-N 1 3 306.450 3.316 20 10 DGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c1[O-] ZINC000925738074 618590855 /nfs/dbraw/zinc/59/08/55/618590855.db2.gz MXQWZMNQWFZYOD-SNVBAGLBSA-N 1 3 315.255 3.241 20 10 DGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])c1[O-] ZINC000817977871 620897283 /nfs/dbraw/zinc/89/72/83/620897283.db2.gz QWDZLAWUDXIJAQ-MNOVXSKESA-N 1 3 315.255 3.241 20 10 DGCDHO Cc1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923365138 621179021 /nfs/dbraw/zinc/17/90/21/621179021.db2.gz UALFGMBVYOKIOP-PKOBYXMFSA-N 1 3 301.478 3.025 20 10 DGCDHO CC[NH+](CC)CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768302550 622449252 /nfs/dbraw/zinc/44/92/52/622449252.db2.gz IBVZLQUTLXAQQM-UHFFFAOYSA-N 1 3 321.484 3.446 20 10 DGCDHO CN(C)c1ccc(/C=C\CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000872253978 622868577 /nfs/dbraw/zinc/86/85/77/622868577.db2.gz NZXYKJPCSQKHCU-OSJSJHBBSA-N 1 3 301.478 3.134 20 10 DGCDHO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCN3C)C2)cc1C(C)C ZINC000872725334 622960357 /nfs/dbraw/zinc/96/03/57/622960357.db2.gz RSLOWICQZYQYLT-CRAIPNDOSA-N 1 3 302.462 3.350 20 10 DGCDHO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCN3C)C2)cc1C(C)C ZINC000872725334 622960364 /nfs/dbraw/zinc/96/03/64/622960364.db2.gz RSLOWICQZYQYLT-CRAIPNDOSA-N 1 3 302.462 3.350 20 10 DGCDHO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3C)C2)cc1C(C)C ZINC000872725337 622960729 /nfs/dbraw/zinc/96/07/29/622960729.db2.gz RSLOWICQZYQYLT-YJBOKZPZSA-N 1 3 302.462 3.350 20 10 DGCDHO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCN3C)C2)cc1C(C)C ZINC000872725337 622960734 /nfs/dbraw/zinc/96/07/34/622960734.db2.gz RSLOWICQZYQYLT-YJBOKZPZSA-N 1 3 302.462 3.350 20 10 DGCDHO CCCOc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1C ZINC000873012211 623017131 /nfs/dbraw/zinc/01/71/31/623017131.db2.gz DHZPPOSNTHMXTK-KRWDZBQOSA-N 1 3 302.462 3.358 20 10 DGCDHO C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cc2c(cc1[O-])CCCC2 ZINC000873268888 623098447 /nfs/dbraw/zinc/09/84/47/623098447.db2.gz IYJWZVAIWHAVEN-ZIAGYGMSSA-N 1 3 302.462 3.310 20 10 DGCDHO CCC1(N2CCC2)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000884474490 626886522 /nfs/dbraw/zinc/88/65/22/626886522.db2.gz BNGMHVOWLZJQJL-UHFFFAOYSA-N 1 3 302.462 3.459 20 10 DGCDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817899560 627956478 /nfs/dbraw/zinc/95/64/78/627956478.db2.gz HCANJJJCZGLFSH-AWEZNQCLSA-N 1 3 324.472 3.082 20 10 DGCDHO CC1CCN(c2ccc(CN[C@H]3CC[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000817902383 627957170 /nfs/dbraw/zinc/95/71/70/627957170.db2.gz PAXUKAJZPJKRNC-PXNSSMCTSA-N 1 3 315.505 3.401 20 10 DGCDHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817964595 627976886 /nfs/dbraw/zinc/97/68/86/627976886.db2.gz FNHQOAHHWDGMKF-CQSZACIVSA-N 1 3 305.441 3.348 20 10 DGCDHO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc2c(cc1[O-])CCCC2 ZINC000817965393 627977405 /nfs/dbraw/zinc/97/74/05/627977405.db2.gz TULLQYZTONAHLP-CQSZACIVSA-N 1 3 302.462 3.311 20 10 DGCDHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965610 627977787 /nfs/dbraw/zinc/97/77/87/627977787.db2.gz SCYGDSOZGTYXLM-CXAGYDPISA-N 1 3 305.441 3.204 20 10 DGCDHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965614 627977956 /nfs/dbraw/zinc/97/79/56/627977956.db2.gz SCYGDSOZGTYXLM-SUMWQHHRSA-N 1 3 305.441 3.204 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431971 628022146 /nfs/dbraw/zinc/02/21/46/628022146.db2.gz YOSJBJMTJICLGU-ZDUSSCGKSA-N 1 3 308.853 3.318 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431971 628022149 /nfs/dbraw/zinc/02/21/49/628022149.db2.gz YOSJBJMTJICLGU-ZDUSSCGKSA-N 1 3 308.853 3.318 20 10 DGCDHO CN(C)c1ccc(/C=C\C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000835053138 629837880 /nfs/dbraw/zinc/83/78/80/629837880.db2.gz KUDHNRZZTGNBMC-HDJSNOHJSA-N 1 3 313.489 3.323 20 10 DGCDHO CN(C)c1ccc(/C=C\C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000835053138 629837883 /nfs/dbraw/zinc/83/78/83/629837883.db2.gz KUDHNRZZTGNBMC-HDJSNOHJSA-N 1 3 313.489 3.323 20 10 DGCDHO CCC[NH+]1CCC(N(C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840911405 630376632 /nfs/dbraw/zinc/37/66/32/630376632.db2.gz ZLLGANVFPFPMRF-UHFFFAOYSA-N 1 3 303.494 3.367 20 10 DGCDHO C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841033488 630398979 /nfs/dbraw/zinc/39/89/79/630398979.db2.gz OZKZBUTVMAWIDA-FUHWJXTLSA-N 1 3 301.478 3.155 20 10 DGCDHO C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841033489 630399340 /nfs/dbraw/zinc/39/93/40/630399340.db2.gz OZKZBUTVMAWIDA-SJLPKXTDSA-N 1 3 301.478 3.155 20 10 DGCDHO Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843043926 630607907 /nfs/dbraw/zinc/60/79/07/630607907.db2.gz DCBWPCBMTLGFBX-IEBWSBKVSA-N 1 3 301.478 3.025 20 10 DGCDHO Cc1cc(Br)cc(C[NH2+]CCCCCC[NH3+])c1[O-] ZINC000843126899 630616341 /nfs/dbraw/zinc/61/63/41/630616341.db2.gz KWJSVMOSVKVNAN-UHFFFAOYSA-N 1 3 315.255 3.072 20 10 DGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843125242 630616404 /nfs/dbraw/zinc/61/64/04/630616404.db2.gz OXOOBJMCVOLCEY-KBPBESRZSA-N 1 3 308.853 3.176 20 10 DGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843125242 630616407 /nfs/dbraw/zinc/61/64/07/630616407.db2.gz OXOOBJMCVOLCEY-KBPBESRZSA-N 1 3 308.853 3.176 20 10 DGCDHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000848717976 631733344 /nfs/dbraw/zinc/73/33/44/631733344.db2.gz DUXCKLHLJRMUTH-ZWKOTPCHSA-N 1 3 301.478 3.282 20 10 DGCDHO CCOc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000849350168 631900478 /nfs/dbraw/zinc/90/04/78/631900478.db2.gz LLKMFBZNPFWHRK-MRXNPFEDSA-N 1 3 318.461 3.003 20 10 DGCDHO CCOc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000849350168 631900484 /nfs/dbraw/zinc/90/04/84/631900484.db2.gz LLKMFBZNPFWHRK-MRXNPFEDSA-N 1 3 318.461 3.003 20 10 DGCDHO CCN(CC)c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000073381016 660269924 /nfs/dbraw/zinc/26/99/24/660269924.db2.gz IZYKJIUBYWHLRC-UHFFFAOYSA-N 1 3 301.478 3.249 20 10 DGCDHO CCN(CC)c1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000314965849 656547165 /nfs/dbraw/zinc/54/71/65/656547165.db2.gz VKAHSVLNPXNYOD-GOSISDBHSA-N 1 3 303.494 3.353 20 10 DGCDHO CCN(CC)c1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000314965849 656547170 /nfs/dbraw/zinc/54/71/70/656547170.db2.gz VKAHSVLNPXNYOD-GOSISDBHSA-N 1 3 303.494 3.353 20 10 DGCDHO CCN(CC)c1ccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246028671 662246222 /nfs/dbraw/zinc/24/62/22/662246222.db2.gz ABJHBJQANGVAIB-LPHOPBHVSA-N 1 3 303.494 3.353 20 10 DGCDHO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246028671 662246225 /nfs/dbraw/zinc/24/62/25/662246225.db2.gz ABJHBJQANGVAIB-LPHOPBHVSA-N 1 3 303.494 3.353 20 10 DGCDHO