smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1O ZINC001206530987 743686745 /nfs/dbraw/zinc/68/67/45/743686745.db2.gz YWCGXEFFACLKQD-UWVGGRQHSA-N 2 1 306.284 1.042 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139254640 860338209 /nfs/dbraw/zinc/33/82/09/860338209.db2.gz KGWANKUWKMEFNS-ZBFHGGJFSA-N 2 1 320.433 1.931 20 10 DDCDMP CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259811 860340476 /nfs/dbraw/zinc/34/04/76/860340476.db2.gz COVMGABPAJPAEP-HOTGVXAUSA-N 2 1 319.449 1.741 20 10 DDCDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(O)c(C)c1O ZINC001140745900 860690275 /nfs/dbraw/zinc/69/02/75/860690275.db2.gz PIEIJYUXXZYMAI-UHFFFAOYSA-N 2 1 324.421 1.723 20 10 DDCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)c(C)c1O ZINC001140745900 860690281 /nfs/dbraw/zinc/69/02/81/860690281.db2.gz PIEIJYUXXZYMAI-UHFFFAOYSA-N 2 1 324.421 1.723 20 10 DDCDMP CN(CC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324013547 867010401 /nfs/dbraw/zinc/01/04/01/867010401.db2.gz CEXRBOUANSXWDX-UHFFFAOYSA-N 2 1 308.445 1.571 20 10 DDCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1CO ZINC001321703271 867745827 /nfs/dbraw/zinc/74/58/27/867745827.db2.gz WNDLSIHPXLWZQG-KDOFPFPSSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1CO ZINC001321703271 867745838 /nfs/dbraw/zinc/74/58/38/867745838.db2.gz WNDLSIHPXLWZQG-KDOFPFPSSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651209 871675987 /nfs/dbraw/zinc/67/59/87/871675987.db2.gz BBNBYUOXWRDSRH-KBPBESRZSA-N 3 1 319.449 1.681 20 10 DDCDMP C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651209 871675994 /nfs/dbraw/zinc/67/59/94/871675994.db2.gz BBNBYUOXWRDSRH-KBPBESRZSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651209 871676007 /nfs/dbraw/zinc/67/60/07/871676007.db2.gz BBNBYUOXWRDSRH-KBPBESRZSA-N 2 1 319.449 1.681 20 10 DDCDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1F ZINC001206173337 872110694 /nfs/dbraw/zinc/11/06/94/872110694.db2.gz HCJCKFAWTCTALH-MSOLQXFVSA-N 2 1 321.440 1.909 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1F ZINC001206173337 872110700 /nfs/dbraw/zinc/11/07/00/872110700.db2.gz HCJCKFAWTCTALH-MSOLQXFVSA-N 2 1 321.440 1.909 20 10 DDCDMP C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236932114 889427697 /nfs/dbraw/zinc/42/76/97/889427697.db2.gz NUBGPUIVHAFLPE-YOEHRIQHSA-N 2 1 321.440 1.780 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC1COC1 ZINC001236938385 889433054 /nfs/dbraw/zinc/43/30/54/889433054.db2.gz MFLCWJBYPXFGSJ-UHFFFAOYSA-N 2 1 307.413 1.656 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCNC1=O ZINC000799737705 700164020 /nfs/dbraw/zinc/16/40/20/700164020.db2.gz LPYMBEUDQBBWOT-KRWDZBQOSA-N 2 1 316.449 1.149 20 10 DDCDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000392268137 699100486 /nfs/dbraw/zinc/10/04/86/699100486.db2.gz ZJIDXRSBKJAACW-UHFFFAOYSA-N 2 1 301.434 1.875 20 10 DDCDMP Oc1cc2c(cc1C[NH2+]CCC[NH2+]Cc1cccnc1)OCO2 ZINC000841043453 702321168 /nfs/dbraw/zinc/32/11/68/702321168.db2.gz VRKYFPROMVRIED-UHFFFAOYSA-N 2 1 315.373 1.785 20 10 DDCDMP COc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1O ZINC000841087705 702341489 /nfs/dbraw/zinc/34/14/89/702341489.db2.gz RBZSAAPEPLRSHE-UHFFFAOYSA-N 2 1 319.449 1.707 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000841091614 702342039 /nfs/dbraw/zinc/34/20/39/702342039.db2.gz BVHVIJMMCWUAAX-AWEZNQCLSA-N 2 1 322.409 1.337 20 10 DDCDMP C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000841091614 702342047 /nfs/dbraw/zinc/34/20/47/702342047.db2.gz BVHVIJMMCWUAAX-AWEZNQCLSA-N 2 1 322.409 1.337 20 10 DDCDMP CCC[N@@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814177914 702491535 /nfs/dbraw/zinc/49/15/35/702491535.db2.gz USJXSFAXDIUSHW-UHFFFAOYSA-N 2 1 304.438 1.136 20 10 DDCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894493 702511812 /nfs/dbraw/zinc/51/18/12/702511812.db2.gz LKLUHXFKLATZAF-JKSUJKDBSA-N 2 1 307.413 1.756 20 10 DDCDMP CC[N@@H+](CCOCC[NH3+])Cc1cc(Br)ccc1O ZINC000843359003 702866307 /nfs/dbraw/zinc/86/63/07/702866307.db2.gz AVDDWPXNEVIMHN-UHFFFAOYSA-N 2 1 317.227 1.952 20 10 DDCDMP CCOc1ccc(O)c(C[NH+]2CCC([NH2+]CCOC)CC2)c1 ZINC000844901780 703082414 /nfs/dbraw/zinc/08/24/14/703082414.db2.gz YEKNDRAATPIFLF-UHFFFAOYSA-N 2 1 308.422 1.991 20 10 DDCDMP COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846047191 703230451 /nfs/dbraw/zinc/23/04/51/703230451.db2.gz KDZBRTXDYROEPL-ZWKOTPCHSA-N 2 1 319.449 1.020 20 10 DDCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C(F)(F)F ZINC000873228638 707778047 /nfs/dbraw/zinc/77/80/47/707778047.db2.gz VDEFPFIZXUXFDD-UWVGGRQHSA-N 2 1 318.295 1.690 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C(F)(F)F ZINC000873228638 707778050 /nfs/dbraw/zinc/77/80/50/707778050.db2.gz VDEFPFIZXUXFDD-UWVGGRQHSA-N 2 1 318.295 1.690 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)cc1C ZINC001133824045 770327042 /nfs/dbraw/zinc/32/70/42/770327042.db2.gz WMUHPKKHOZQNJJ-HNNXBMFYSA-N 2 1 319.449 1.694 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139252861 860337503 /nfs/dbraw/zinc/33/75/03/860337503.db2.gz CBPIYZMFFJOEII-CYBMUJFWSA-N 2 1 308.422 1.667 20 10 DDCDMP COC(=O)C1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139408756 860389633 /nfs/dbraw/zinc/38/96/33/860389633.db2.gz QDRKMAOVIWPONO-UHFFFAOYSA-N 2 1 303.406 1.043 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001152432830 863342601 /nfs/dbraw/zinc/34/26/01/863342601.db2.gz NASMMKNTULSUHA-UHFFFAOYSA-N 2 1 307.438 1.550 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3COCO3)cc2F)CC1 ZINC001333835107 867059140 /nfs/dbraw/zinc/05/91/40/867059140.db2.gz WBBGKWOKOXRNKL-AWEZNQCLSA-N 2 1 309.385 1.040 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(O)CCC3)cc2F)CC1 ZINC001321722099 867755011 /nfs/dbraw/zinc/75/50/11/867755011.db2.gz WSLNRASDMCYGSM-UHFFFAOYSA-N 2 1 307.413 1.582 20 10 DDCDMP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001203681206 870710825 /nfs/dbraw/zinc/71/08/25/870710825.db2.gz QAGXWDIYVORILI-CQSZACIVSA-N 2 1 321.421 1.043 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001203681206 870710841 /nfs/dbraw/zinc/71/08/41/870710841.db2.gz QAGXWDIYVORILI-CQSZACIVSA-N 2 1 321.421 1.043 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1C[NH3+] ZINC001205315823 871494113 /nfs/dbraw/zinc/49/41/13/871494113.db2.gz HHZQPHZDNHLGJN-IUODEOHRSA-N 3 1 305.422 1.291 20 10 DDCDMP C[C@@H]1CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1C[NH3+] ZINC001205315823 871494126 /nfs/dbraw/zinc/49/41/26/871494126.db2.gz HHZQPHZDNHLGJN-IUODEOHRSA-N 2 1 305.422 1.291 20 10 DDCDMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001206767750 872562418 /nfs/dbraw/zinc/56/24/18/872562418.db2.gz DYGWJAQSKKAIRL-DOTOQJQBSA-N 3 1 302.466 1.655 20 10 DDCDMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001206808744 872611881 /nfs/dbraw/zinc/61/18/81/872611881.db2.gz KFHXYVRKTKXEPK-CHWSQXEVSA-N 3 1 305.422 1.433 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620271 880607124 /nfs/dbraw/zinc/60/71/24/880607124.db2.gz KFXDLIBSWLZVIP-FUHWJXTLSA-N 3 1 300.450 1.280 20 10 DDCDMP CN(C)c1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)c(Cl)c1 ZINC001236082371 889099746 /nfs/dbraw/zinc/09/97/46/889099746.db2.gz FAQCYWXBSDWFOY-UHFFFAOYSA-N 2 1 310.873 1.743 20 10 DDCDMP CN(C)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c(Cl)c1 ZINC001236082371 889099760 /nfs/dbraw/zinc/09/97/60/889099760.db2.gz FAQCYWXBSDWFOY-UHFFFAOYSA-N 2 1 310.873 1.743 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217204 889146523 /nfs/dbraw/zinc/14/65/23/889146523.db2.gz NPAYWCVUPWXDKZ-ZWKOTPCHSA-N 3 1 302.466 1.798 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217204 889146530 /nfs/dbraw/zinc/14/65/30/889146530.db2.gz NPAYWCVUPWXDKZ-ZWKOTPCHSA-N 3 1 302.466 1.798 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)C[NH2+]CCO2 ZINC001237414457 889622292 /nfs/dbraw/zinc/62/22/92/889622292.db2.gz LBFSMECGAKQTIJ-CJNGLKHVSA-N 3 1 317.433 1.448 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)C[NH2+]CCO2 ZINC001237414457 889622299 /nfs/dbraw/zinc/62/22/99/889622299.db2.gz LBFSMECGAKQTIJ-CJNGLKHVSA-N 3 1 317.433 1.448 20 10 DDCDMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237684069 889802587 /nfs/dbraw/zinc/80/25/87/889802587.db2.gz MABPKCAXBDRFDD-KBPBESRZSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000093046102 193197194 /nfs/dbraw/zinc/19/71/94/193197194.db2.gz IDROAIMHXPOUAF-UHFFFAOYSA-N 2 1 319.449 1.687 20 10 DDCDMP COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000702587905 699231455 /nfs/dbraw/zinc/23/14/55/699231455.db2.gz QWZOUJVYZPJKHS-CQSZACIVSA-N 2 1 300.786 1.210 20 10 DDCDMP COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000702587905 699231459 /nfs/dbraw/zinc/23/14/59/699231459.db2.gz QWZOUJVYZPJKHS-CQSZACIVSA-N 2 1 300.786 1.210 20 10 DDCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466664 701180383 /nfs/dbraw/zinc/18/03/83/701180383.db2.gz UBMJCFSOXWVHKK-SUMWQHHRSA-N 2 1 320.433 1.982 20 10 DDCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466664 701180384 /nfs/dbraw/zinc/18/03/84/701180384.db2.gz UBMJCFSOXWVHKK-SUMWQHHRSA-N 2 1 320.433 1.982 20 10 DDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000817936838 702529264 /nfs/dbraw/zinc/52/92/64/702529264.db2.gz RVCDUSOQZBGHAO-CYBMUJFWSA-N 2 1 321.421 1.125 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000846145126 703242119 /nfs/dbraw/zinc/24/21/19/703242119.db2.gz LQYFFDIDNAAGCT-MJBXVCDLSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000846145126 703242124 /nfs/dbraw/zinc/24/21/24/703242124.db2.gz LQYFFDIDNAAGCT-MJBXVCDLSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1cccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827700040 706052254 /nfs/dbraw/zinc/05/22/54/706052254.db2.gz OOUROWPEZYVFHU-HNNXBMFYSA-N 2 1 306.406 1.432 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2)CC1 ZINC000873228717 707778034 /nfs/dbraw/zinc/77/80/34/707778034.db2.gz IJBMPDVMQPJNQR-PKOBYXMFSA-N 3 1 314.477 1.480 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2)CC1 ZINC000873228717 707778037 /nfs/dbraw/zinc/77/80/37/707778037.db2.gz IJBMPDVMQPJNQR-PKOBYXMFSA-N 2 1 314.477 1.480 20 10 DDCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228581 707778197 /nfs/dbraw/zinc/77/81/97/707778197.db2.gz UFKXMPFDBPILMC-ZYHUDNBSSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228581 707778203 /nfs/dbraw/zinc/77/82/03/707778203.db2.gz UFKXMPFDBPILMC-ZYHUDNBSSA-N 2 1 304.312 1.970 20 10 DDCDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1O ZINC001203628861 744301765 /nfs/dbraw/zinc/30/17/65/744301765.db2.gz HRAOMLBPYURTQC-UHFFFAOYSA-N 2 1 324.421 1.718 20 10 DDCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1O ZINC001203628861 744301767 /nfs/dbraw/zinc/30/17/67/744301767.db2.gz HRAOMLBPYURTQC-UHFFFAOYSA-N 2 1 324.421 1.718 20 10 DDCDMP COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001205797041 747062456 /nfs/dbraw/zinc/06/24/56/747062456.db2.gz XWYKWIJOXTUWLB-NSHDSACASA-N 2 1 316.348 1.825 20 10 DDCDMP COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001205797041 747062461 /nfs/dbraw/zinc/06/24/61/747062461.db2.gz XWYKWIJOXTUWLB-NSHDSACASA-N 2 1 316.348 1.825 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(O)ccc1O ZINC001275419231 853097173 /nfs/dbraw/zinc/09/71/73/853097173.db2.gz SWWSYXSLBNYJBK-HOTGVXAUSA-N 2 1 305.422 1.308 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275912843 853931945 /nfs/dbraw/zinc/93/19/45/853931945.db2.gz FTKMFVWPPQTLQQ-IYBDPMFKSA-N 2 1 307.413 1.742 20 10 DDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001276118384 854771326 /nfs/dbraw/zinc/77/13/26/854771326.db2.gz ZKEFPDFCYGCSKR-IYBDPMFKSA-N 2 1 319.449 1.616 20 10 DDCDMP COc1cc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139257430 860338840 /nfs/dbraw/zinc/33/88/40/860338840.db2.gz BGXSZWOJMUJKKQ-SRCQZFHVSA-N 2 1 320.433 1.929 20 10 DDCDMP COc1cc(C[N@H+](C)CC(OC)OC)cc(C[NH+](C)C)c1O ZINC001139258799 860341198 /nfs/dbraw/zinc/34/11/98/860341198.db2.gz WNOOEEVWVHDWQJ-UHFFFAOYSA-N 2 1 312.410 1.513 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001140302328 860614984 /nfs/dbraw/zinc/61/49/84/860614984.db2.gz NXRXJLYCFIPJCL-ZWKOTPCHSA-N 2 1 321.440 1.733 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001140302328 860614987 /nfs/dbraw/zinc/61/49/87/860614987.db2.gz NXRXJLYCFIPJCL-ZWKOTPCHSA-N 2 1 321.440 1.733 20 10 DDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205009463 871323113 /nfs/dbraw/zinc/32/31/13/871323113.db2.gz TVMWRDLUXPHAJJ-QGZVFWFLSA-N 3 1 302.466 1.528 20 10 DDCDMP C[NH2+]C[C@H]1CCCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205009463 871323130 /nfs/dbraw/zinc/32/31/30/871323130.db2.gz TVMWRDLUXPHAJJ-QGZVFWFLSA-N 2 1 302.466 1.528 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[C@H](O)C3)cc2F)CC1 ZINC001352861688 876974665 /nfs/dbraw/zinc/97/46/65/876974665.db2.gz IALCHTIVIMYFCP-SHTZXODSSA-N 2 1 307.413 1.438 20 10 DDCDMP c1cc(N2CCCC2)ccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234981983 888294114 /nfs/dbraw/zinc/29/41/14/888294114.db2.gz NAMWUPAGIXZEFB-GOSISDBHSA-N 2 1 300.450 1.424 20 10 DDCDMP Oc1ccc(C(F)(F)F)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234989954 888313925 /nfs/dbraw/zinc/31/39/25/888313925.db2.gz NQOJOHMXEMEPQY-AWEZNQCLSA-N 2 1 315.339 1.548 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000775634909 698017312 /nfs/dbraw/zinc/01/73/12/698017312.db2.gz ZFCLMAKIIBOLKB-MRXNPFEDSA-N 2 1 316.449 1.136 20 10 DDCDMP Oc1c(F)cccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069468 702335074 /nfs/dbraw/zinc/33/50/74/702335074.db2.gz AQJWOKHMZKYXLA-LBPRGKRZSA-N 2 1 321.318 1.457 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNC[C@@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000841078440 702338073 /nfs/dbraw/zinc/33/80/73/702338073.db2.gz HUEJBYZPYNPHST-HOTGVXAUSA-N 2 1 306.429 1.228 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000841101211 702347219 /nfs/dbraw/zinc/34/72/19/702347219.db2.gz RXUOPXNVPSPUKL-KRWDZBQOSA-N 2 1 305.422 1.073 20 10 DDCDMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844221158 702995693 /nfs/dbraw/zinc/99/56/93/702995693.db2.gz IVUHNNTWCQXFQF-DZGCQCFKSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844221158 702995694 /nfs/dbraw/zinc/99/56/94/702995694.db2.gz IVUHNNTWCQXFQF-DZGCQCFKSA-N 2 1 304.438 1.038 20 10 DDCDMP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000854232044 704369281 /nfs/dbraw/zinc/36/92/81/704369281.db2.gz KDMKHDTXVQBDOY-HNNXBMFYSA-N 2 1 315.421 1.948 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1(C)COC1 ZINC000862477603 705721667 /nfs/dbraw/zinc/72/16/67/705721667.db2.gz OBVJVYHKVFPXHO-UHFFFAOYSA-N 2 1 303.450 1.907 20 10 DDCDMP Cc1cccc(O)c1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000876685427 705819161 /nfs/dbraw/zinc/81/91/61/705819161.db2.gz QHOWRFUDQPDMLN-UHFFFAOYSA-N 2 1 317.433 1.441 20 10 DDCDMP COC1CCN(c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000827457701 706006278 /nfs/dbraw/zinc/00/62/78/706006278.db2.gz DPPXYWMIDMKXJD-CALCHBBNSA-N 2 1 315.461 1.953 20 10 DDCDMP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903884532 711316420 /nfs/dbraw/zinc/31/64/20/711316420.db2.gz BYCSCSSGXSKEOI-AWEZNQCLSA-N 2 1 301.394 1.540 20 10 DDCDMP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903884532 711316424 /nfs/dbraw/zinc/31/64/24/711316424.db2.gz BYCSCSSGXSKEOI-AWEZNQCLSA-N 2 1 301.394 1.540 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000904406405 711853548 /nfs/dbraw/zinc/85/35/48/711853548.db2.gz SGOIKSKWADQAJP-QGZVFWFLSA-N 3 1 302.466 1.609 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000904406405 711853550 /nfs/dbraw/zinc/85/35/50/711853550.db2.gz SGOIKSKWADQAJP-QGZVFWFLSA-N 2 1 302.466 1.609 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000904406405 711853552 /nfs/dbraw/zinc/85/35/52/711853552.db2.gz SGOIKSKWADQAJP-QGZVFWFLSA-N 2 1 302.466 1.609 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001133845958 770353588 /nfs/dbraw/zinc/35/35/88/770353588.db2.gz QRBGPKHOXILJMC-AWEZNQCLSA-N 2 1 319.449 1.551 20 10 DDCDMP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001155813531 862471889 /nfs/dbraw/zinc/47/18/89/862471889.db2.gz RHMMQKOGLASWRC-INIZCTEOSA-N 2 1 319.449 1.694 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@](C)(O)C3)cc2)CC1 ZINC001139407946 860391372 /nfs/dbraw/zinc/39/13/72/860391372.db2.gz HNZSPUWMJLHGRY-SFHVURJKSA-N 2 1 319.449 1.022 20 10 DDCDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(F)ccc1O ZINC001140055700 860566414 /nfs/dbraw/zinc/56/64/14/860566414.db2.gz QCCLRXWAECMZPB-UHFFFAOYSA-N 2 1 312.385 1.848 20 10 DDCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)ccc1O ZINC001140055700 860566419 /nfs/dbraw/zinc/56/64/19/860566419.db2.gz QCCLRXWAECMZPB-UHFFFAOYSA-N 2 1 312.385 1.848 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C)[C@H](O)C3)cc2)CC1 ZINC001140302339 860615039 /nfs/dbraw/zinc/61/50/39/860615039.db2.gz OJQSLTBDDMBCLL-MAUKXSAKSA-N 2 1 303.450 1.641 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)ccc21 ZINC001205220631 871436690 /nfs/dbraw/zinc/43/66/90/871436690.db2.gz LTTPGRZYHSUEDW-SFHVURJKSA-N 2 1 303.450 1.745 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205229208 871446798 /nfs/dbraw/zinc/44/67/98/871446798.db2.gz MBCGCGQDTQHCKB-SFHVURJKSA-N 2 1 321.465 1.914 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235034034 888351773 /nfs/dbraw/zinc/35/17/73/888351773.db2.gz SMXJRFPQWMYQQO-KRWDZBQOSA-N 3 1 303.406 1.060 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235034034 888351782 /nfs/dbraw/zinc/35/17/82/888351782.db2.gz SMXJRFPQWMYQQO-KRWDZBQOSA-N 3 1 303.406 1.060 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215849 889146557 /nfs/dbraw/zinc/14/65/57/889146557.db2.gz IQDIJHGPYYFVAK-SJORKVTESA-N 3 1 318.465 1.504 20 10 DDCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215849 889146563 /nfs/dbraw/zinc/14/65/63/889146563.db2.gz IQDIJHGPYYFVAK-SJORKVTESA-N 2 1 318.465 1.504 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CO)c(F)c2)CC1 ZINC001236932117 889428438 /nfs/dbraw/zinc/42/84/38/889428438.db2.gz NWVJULXXPOWQAN-KRWDZBQOSA-N 2 1 321.440 1.924 20 10 DDCDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364417549 276184515 /nfs/dbraw/zinc/18/45/15/276184515.db2.gz PEBAHIOQMIHYRU-INIZCTEOSA-N 2 1 315.465 1.777 20 10 DDCDMP COC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775691461 698023909 /nfs/dbraw/zinc/02/39/09/698023909.db2.gz XVBNCVQMESCAOH-KRWDZBQOSA-N 2 1 303.450 1.907 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CO)O1 ZINC000787416887 699210965 /nfs/dbraw/zinc/21/09/65/699210965.db2.gz KLJYFOIDSDYKJP-CRAIPNDOSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CO)O1 ZINC000787416887 699210966 /nfs/dbraw/zinc/21/09/66/699210966.db2.gz KLJYFOIDSDYKJP-CRAIPNDOSA-N 2 1 319.449 1.020 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000790937129 699603987 /nfs/dbraw/zinc/60/39/87/699603987.db2.gz JGBXAFFNGSIUAB-KRWDZBQOSA-N 2 1 303.450 1.641 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(C(N)=O)C3)cc2)CC1 ZINC000793388586 699753569 /nfs/dbraw/zinc/75/35/69/699753569.db2.gz DMORWZIXRFNVLW-SFHVURJKSA-N 2 1 316.449 1.136 20 10 DDCDMP C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000840975907 702299486 /nfs/dbraw/zinc/29/94/86/702299486.db2.gz AKAISRHVNGSGDL-QAPCUYQASA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000840975907 702299488 /nfs/dbraw/zinc/29/94/88/702299488.db2.gz AKAISRHVNGSGDL-QAPCUYQASA-N 2 1 319.449 1.020 20 10 DDCDMP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000817889569 702509707 /nfs/dbraw/zinc/50/97/07/702509707.db2.gz PMOJIIXFBMDIOD-DJIMGWMZSA-N 2 1 316.449 1.358 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052893 702809117 /nfs/dbraw/zinc/80/91/17/702809117.db2.gz XTAIXZVOZZESSC-MNOVXSKESA-N 2 1 309.366 1.868 20 10 DDCDMP COc1c(O)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052893 702809118 /nfs/dbraw/zinc/80/91/18/702809118.db2.gz XTAIXZVOZZESSC-MNOVXSKESA-N 2 1 309.366 1.868 20 10 DDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000843124179 702824458 /nfs/dbraw/zinc/82/44/58/702824458.db2.gz ZDELCTDQTAVBQY-OAHLLOKOSA-N 2 1 305.422 1.270 20 10 DDCDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834571167 707088478 /nfs/dbraw/zinc/08/84/78/707088478.db2.gz PHMXFLVZIXHWIE-MRXNPFEDSA-N 2 1 303.450 1.997 20 10 DDCDMP CCOc1cccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1O ZINC000827892379 706082800 /nfs/dbraw/zinc/08/28/00/706082800.db2.gz XIKMCLPAHAYJHU-UHFFFAOYSA-N 2 1 316.405 1.847 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872255702 707351250 /nfs/dbraw/zinc/35/12/50/707351250.db2.gz KZSFYWUEYVWPEK-LZWOXQAQSA-N 2 1 317.389 1.068 20 10 DDCDMP CC[N@@H+](CCC(=O)NC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897709912 708426820 /nfs/dbraw/zinc/42/68/20/708426820.db2.gz KYEMNWFWRPKCPZ-UHFFFAOYSA-N 2 1 318.465 1.396 20 10 DDCDMP COc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(O)c1OC ZINC000892669362 710479169 /nfs/dbraw/zinc/47/91/69/710479169.db2.gz GLPIJURGTXNOFA-UHFFFAOYSA-N 2 1 324.421 1.346 20 10 DDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001205247873 751330048 /nfs/dbraw/zinc/33/00/48/751330048.db2.gz KKYCCAOWXHMTFG-AWEZNQCLSA-N 2 1 302.777 1.860 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)C3CCC3)cc2F)CC1 ZINC001118420139 781119525 /nfs/dbraw/zinc/11/95/25/781119525.db2.gz MLSCWXNUILXDOP-QGZVFWFLSA-N 2 1 321.440 1.828 20 10 DDCDMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001275267498 852940531 /nfs/dbraw/zinc/94/05/31/852940531.db2.gz PVFQREKPLTYDPH-MQVJKMGUSA-N 2 1 317.433 1.565 20 10 DDCDMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275267498 852940534 /nfs/dbraw/zinc/94/05/34/852940534.db2.gz PVFQREKPLTYDPH-MQVJKMGUSA-N 2 1 317.433 1.565 20 10 DDCDMP COc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1O ZINC001275270811 852944078 /nfs/dbraw/zinc/94/40/78/852944078.db2.gz MSQNTTSERYLONB-HOTGVXAUSA-N 2 1 319.449 1.611 20 10 DDCDMP C[NH2+]C[C@H]1CCCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328401401 862950855 /nfs/dbraw/zinc/95/08/55/862950855.db2.gz XQZXXDFKMNUZHP-MRXNPFEDSA-N 2 1 320.456 1.761 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC(O)C1 ZINC001326124343 861118624 /nfs/dbraw/zinc/11/86/24/861118624.db2.gz MIOSQYWRPLAPDC-UHFFFAOYSA-N 2 1 321.440 1.780 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC(O)C1 ZINC001326124343 861118625 /nfs/dbraw/zinc/11/86/25/861118625.db2.gz MIOSQYWRPLAPDC-UHFFFAOYSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1CO ZINC001321703270 867746470 /nfs/dbraw/zinc/74/64/70/867746470.db2.gz WNDLSIHPXLWZQG-KBXCAEBGSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1CO ZINC001321703270 867746475 /nfs/dbraw/zinc/74/64/75/867746475.db2.gz WNDLSIHPXLWZQG-KBXCAEBGSA-N 2 1 321.440 1.780 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001235998865 889051969 /nfs/dbraw/zinc/05/19/69/889051969.db2.gz QLYYBYRDTLLZTA-YWXMQNBFSA-N 2 1 312.797 1.460 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001235998865 889051986 /nfs/dbraw/zinc/05/19/86/889051986.db2.gz QLYYBYRDTLLZTA-YWXMQNBFSA-N 2 1 312.797 1.460 20 10 DDCDMP Nc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC001262487153 900194005 /nfs/dbraw/zinc/19/40/05/900194005.db2.gz LQTPRSGLTKHXMN-DOTOQJQBSA-N 2 1 316.449 1.349 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000368601238 418722626 /nfs/dbraw/zinc/72/26/26/418722626.db2.gz JSKXTRDGQOYCCF-RDJZCZTQSA-N 2 1 303.450 1.850 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000775746071 698028980 /nfs/dbraw/zinc/02/89/80/698028980.db2.gz AIDVUADOEJIKFP-IAGOWNOFSA-N 2 1 300.450 1.090 20 10 DDCDMP COc1cccc(O)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000729684765 699485133 /nfs/dbraw/zinc/48/51/33/699485133.db2.gz VWLQFMCXCYVSBZ-UHFFFAOYSA-N 2 1 307.438 1.518 20 10 DDCDMP COc1c(O)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000843126087 702825135 /nfs/dbraw/zinc/82/51/35/702825135.db2.gz GBNDCMGSHTUADZ-UHFFFAOYSA-N 2 1 321.377 1.885 20 10 DDCDMP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000866673564 706760709 /nfs/dbraw/zinc/76/07/09/706760709.db2.gz DAEDQLQQZRYLNG-GDBMZVCRSA-N 2 1 318.465 1.238 20 10 DDCDMP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000866673564 706760711 /nfs/dbraw/zinc/76/07/11/706760711.db2.gz DAEDQLQQZRYLNG-GDBMZVCRSA-N 2 1 318.465 1.238 20 10 DDCDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254760 710143409 /nfs/dbraw/zinc/14/34/09/710143409.db2.gz JBAUASPRRQEDLF-QGZVFWFLSA-N 2 1 320.481 1.812 20 10 DDCDMP [NH3+][C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(F)F ZINC000903919614 711332226 /nfs/dbraw/zinc/33/22/26/711332226.db2.gz FGMHGCXVYXZZQF-LBPRGKRZSA-N 2 1 317.355 1.734 20 10 DDCDMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1O ZINC001272618438 846415822 /nfs/dbraw/zinc/41/58/22/846415822.db2.gz HYBFKOHQAFBPTF-HZPDHXFCSA-N 2 1 317.433 1.519 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cccc1F)C2 ZINC001276360028 855716634 /nfs/dbraw/zinc/71/66/34/855716634.db2.gz OTZIPRJCWUTSQN-KGLIPLIRSA-N 2 1 307.413 1.599 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)cccc1F)C2 ZINC001276360028 855716646 /nfs/dbraw/zinc/71/66/46/855716646.db2.gz OTZIPRJCWUTSQN-KGLIPLIRSA-N 2 1 307.413 1.599 20 10 DDCDMP CNC(=O)CC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139257128 860338093 /nfs/dbraw/zinc/33/80/93/860338093.db2.gz SIDGQWXOLLIOOD-UHFFFAOYSA-N 2 1 309.410 1.030 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139256614 860338968 /nfs/dbraw/zinc/33/89/68/860338968.db2.gz FCWLWMFSRHCEPX-QGZVFWFLSA-N 2 1 308.422 1.809 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](F)(CO)C3)cc2)CC1 ZINC001140302202 860615052 /nfs/dbraw/zinc/61/50/52/860615052.db2.gz MWNLTBJMDDFFBR-GOSISDBHSA-N 2 1 321.440 1.735 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](F)C3)cc2)CC1 ZINC001140302327 860615297 /nfs/dbraw/zinc/61/52/97/860615297.db2.gz NXRXJLYCFIPJCL-QZTJIDSGSA-N 2 1 321.440 1.733 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@H](F)C3)cc2)CC1 ZINC001140302327 860615305 /nfs/dbraw/zinc/61/53/05/860615305.db2.gz NXRXJLYCFIPJCL-QZTJIDSGSA-N 2 1 321.440 1.733 20 10 DDCDMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331418782 865074857 /nfs/dbraw/zinc/07/48/57/865074857.db2.gz KFTVAMNZXRMFQZ-AWEZNQCLSA-N 3 1 308.445 1.795 20 10 DDCDMP C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349673343 875296169 /nfs/dbraw/zinc/29/61/69/875296169.db2.gz DROLQUULOOIVDT-HOCLYGCPSA-N 2 1 320.456 1.889 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H]1O ZINC001236930871 889428144 /nfs/dbraw/zinc/42/81/44/889428144.db2.gz GRGZSSIMHBEFEB-SUMWQHHRSA-N 2 1 307.413 1.390 20 10 DDCDMP CNC(=O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938934 889432609 /nfs/dbraw/zinc/43/26/09/889432609.db2.gz NLHSWWTUTJPNRO-UHFFFAOYSA-N 2 1 322.428 1.145 20 10 DDCDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000361901374 418723731 /nfs/dbraw/zinc/72/37/31/418723731.db2.gz UUCIIFGPANYLTF-QGZVFWFLSA-N 2 1 303.450 1.993 20 10 DDCDMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1O ZINC000109773847 696638133 /nfs/dbraw/zinc/63/81/33/696638133.db2.gz TVJCJBAQZKRPNL-UHFFFAOYSA-N 2 1 317.433 1.567 20 10 DDCDMP CC(C)[N@@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775641933 698018263 /nfs/dbraw/zinc/01/82/63/698018263.db2.gz FDKBYHGDMISYJK-UHFFFAOYSA-N 2 1 304.438 1.134 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cnccn1 ZINC000775663833 698020522 /nfs/dbraw/zinc/02/05/22/698020522.db2.gz DSJWOOWMNJDQGK-UHFFFAOYSA-N 2 1 311.433 1.860 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cnccn1 ZINC000775663833 698020524 /nfs/dbraw/zinc/02/05/24/698020524.db2.gz DSJWOOWMNJDQGK-UHFFFAOYSA-N 2 1 311.433 1.860 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000789557599 699395716 /nfs/dbraw/zinc/39/57/16/699395716.db2.gz LCVBAAHWFDWSTN-SFHVURJKSA-N 2 1 303.450 1.785 20 10 DDCDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000793762663 699777585 /nfs/dbraw/zinc/77/75/85/699777585.db2.gz AVIGSVOJPCSIRY-NVXWUHKLSA-N 2 1 304.390 1.346 20 10 DDCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000793762663 699777586 /nfs/dbraw/zinc/77/75/86/699777586.db2.gz AVIGSVOJPCSIRY-NVXWUHKLSA-N 2 1 304.390 1.346 20 10 DDCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000793762663 699777588 /nfs/dbraw/zinc/77/75/88/699777588.db2.gz AVIGSVOJPCSIRY-NVXWUHKLSA-N 2 1 304.390 1.346 20 10 DDCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000793762663 699777589 /nfs/dbraw/zinc/77/75/89/699777589.db2.gz AVIGSVOJPCSIRY-NVXWUHKLSA-N 2 1 304.390 1.346 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOCC34CC4)cc2)CC1 ZINC000802658719 700415827 /nfs/dbraw/zinc/41/58/27/700415827.db2.gz POWOBWRZGMNVNB-UHFFFAOYSA-N 2 1 301.434 1.803 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC34CC4)cc2)CC1 ZINC000802658719 700415829 /nfs/dbraw/zinc/41/58/29/700415829.db2.gz POWOBWRZGMNVNB-UHFFFAOYSA-N 2 1 301.434 1.803 20 10 DDCDMP COc1cccc(O)c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000769381349 701242900 /nfs/dbraw/zinc/24/29/00/701242900.db2.gz NNWCVEQYKYWVCV-HNNXBMFYSA-N 2 1 319.449 1.613 20 10 DDCDMP COc1cccc(O)c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000769381349 701242901 /nfs/dbraw/zinc/24/29/01/701242901.db2.gz NNWCVEQYKYWVCV-HNNXBMFYSA-N 2 1 319.449 1.613 20 10 DDCDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943882 702532544 /nfs/dbraw/zinc/53/25/44/702532544.db2.gz WIUKRQXWNHWRAK-XWIAVFTESA-N 2 1 302.466 1.825 20 10 DDCDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000843125073 702825172 /nfs/dbraw/zinc/82/51/72/702825172.db2.gz MYLZHVBRJUCSMF-OAHLLOKOSA-N 2 1 320.433 1.978 20 10 DDCDMP COc1cc(Cl)cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000863647672 705976019 /nfs/dbraw/zinc/97/60/19/705976019.db2.gz BNOJKIQOBJUQNW-UHFFFAOYSA-N 2 1 324.768 1.298 20 10 DDCDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(N2CCOCC2)c(F)c1 ZINC000863650674 705976890 /nfs/dbraw/zinc/97/68/90/705976890.db2.gz YDFZSFLALCTSKC-UHFFFAOYSA-N 2 1 311.401 1.069 20 10 DDCDMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C[NH3+] ZINC000923496107 714378405 /nfs/dbraw/zinc/37/84/05/714378405.db2.gz GRMPCIZRDCZEMW-GDBMZVCRSA-N 2 1 318.465 1.286 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001127644147 748014398 /nfs/dbraw/zinc/01/43/98/748014398.db2.gz WQGZGOBUQRDYRW-GDBMZVCRSA-N 2 1 319.449 1.550 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@](C)(CO)C3CC3)cc2F)CC1 ZINC001178125273 778916628 /nfs/dbraw/zinc/91/66/28/778916628.db2.gz UFZJLTIVVXHWDD-GOSISDBHSA-N 2 1 321.440 1.828 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001275833165 853838085 /nfs/dbraw/zinc/83/80/85/853838085.db2.gz ANCAKIPMLOKTAV-OALUTQOASA-N 2 1 316.493 1.963 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001275913851 853936664 /nfs/dbraw/zinc/93/66/64/853936664.db2.gz RTDIOAVZMGOEJI-UHFFFAOYSA-N 2 1 321.440 1.991 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[NH2+]C(C)(C)C3)cc2F)CC1 ZINC001331405082 865063675 /nfs/dbraw/zinc/06/36/75/865063675.db2.gz VELIZBHDLBJDNE-UHFFFAOYSA-N 2 1 320.456 1.761 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H](O)C1CC1 ZINC001323762966 866827571 /nfs/dbraw/zinc/82/75/71/866827571.db2.gz XBSPXOXNPNSPHO-GOSISDBHSA-N 2 1 321.440 1.780 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H](O)C1CC1 ZINC001323762966 866827586 /nfs/dbraw/zinc/82/75/86/866827586.db2.gz XBSPXOXNPNSPHO-GOSISDBHSA-N 2 1 321.440 1.780 20 10 DDCDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205240667 871453415 /nfs/dbraw/zinc/45/34/15/871453415.db2.gz MNFASOZKNNKIEW-QGZVFWFLSA-N 2 1 307.438 1.437 20 10 DDCDMP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC001276537466 873339233 /nfs/dbraw/zinc/33/92/33/873339233.db2.gz HUKBIUQPXISQME-XJKSGUPXSA-N 2 1 307.413 1.599 20 10 DDCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC001276537466 873339248 /nfs/dbraw/zinc/33/92/48/873339248.db2.gz HUKBIUQPXISQME-XJKSGUPXSA-N 2 1 307.413 1.599 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[NH2+]C3(C)C)cc2F)CC1 ZINC001348515338 874606079 /nfs/dbraw/zinc/60/60/79/874606079.db2.gz LIUPFAICMZABQR-KRWDZBQOSA-N 2 1 320.456 1.808 20 10 DDCDMP CC(C)(C)c1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234991828 888315221 /nfs/dbraw/zinc/31/52/21/888315221.db2.gz YFXGDGGHJDIUEZ-SFHVURJKSA-N 2 1 303.450 1.827 20 10 DDCDMP CC(C)(C)c1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235058984 888381007 /nfs/dbraw/zinc/38/10/07/888381007.db2.gz BLEZSVAVNLAIMP-GOSISDBHSA-N 2 1 303.450 1.827 20 10 DDCDMP CC(C)(C)c1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235058984 888381023 /nfs/dbraw/zinc/38/10/23/888381023.db2.gz BLEZSVAVNLAIMP-GOSISDBHSA-N 2 1 303.450 1.827 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342502 888573773 /nfs/dbraw/zinc/57/37/73/888573773.db2.gz WGWKOZUPOZKKNQ-INIZCTEOSA-N 3 1 300.450 1.138 20 10 DDCDMP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236008116 889057956 /nfs/dbraw/zinc/05/79/56/889057956.db2.gz DCSQDZBGXBKJFT-KRWDZBQOSA-N 3 1 318.465 1.376 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236008116 889057967 /nfs/dbraw/zinc/05/79/67/889057967.db2.gz DCSQDZBGXBKJFT-KRWDZBQOSA-N 3 1 318.465 1.376 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]43)c(F)c2)CC1 ZINC001236936557 889432988 /nfs/dbraw/zinc/43/29/88/889432988.db2.gz SERCNLPNOFJKTE-QZTJIDSGSA-N 2 1 319.424 1.941 20 10 DDCDMP CC(C)[C@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246173761 892461168 /nfs/dbraw/zinc/46/11/68/892461168.db2.gz MJPYMHFUFYRLNI-IEBWSBKVSA-N 2 1 316.493 1.962 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)cc2F)CC1 ZINC001255473937 896947670 /nfs/dbraw/zinc/94/76/70/896947670.db2.gz NDUOUCSWLQNBPR-MAUKXSAKSA-N 2 1 319.424 1.392 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@]4(CO)C3)cc2F)CC1 ZINC001255473937 896947678 /nfs/dbraw/zinc/94/76/78/896947678.db2.gz NDUOUCSWLQNBPR-MAUKXSAKSA-N 2 1 319.424 1.392 20 10 DDCDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000377629363 418712489 /nfs/dbraw/zinc/71/24/89/418712489.db2.gz RIJBTEYMNGTCIC-OAHLLOKOSA-N 2 1 321.440 1.991 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CO)C3)cc2)CC1 ZINC000775634675 698017065 /nfs/dbraw/zinc/01/70/65/698017065.db2.gz TXWYILAKKPUPJY-KRWDZBQOSA-N 2 1 303.450 1.643 20 10 DDCDMP C[N@@H+](CCn1cccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775695626 698023611 /nfs/dbraw/zinc/02/36/11/698023611.db2.gz PPACMPRPFISLSW-UHFFFAOYSA-N 2 1 313.449 1.767 20 10 DDCDMP C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000780784051 698559444 /nfs/dbraw/zinc/55/94/44/698559444.db2.gz DZPYGPNFJBETFZ-WBVHZDCISA-N 2 1 303.450 1.641 20 10 DDCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000756550930 700627509 /nfs/dbraw/zinc/62/75/09/700627509.db2.gz UNZLAAMZERWXGP-GJZGRUSLSA-N 2 1 319.449 1.939 20 10 DDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000817976913 702541596 /nfs/dbraw/zinc/54/15/96/702541596.db2.gz WTOQTWNEJXZGRE-NHYWBVRUSA-N 2 1 304.390 1.972 20 10 DDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[NH2+]C1 ZINC000843060121 702810365 /nfs/dbraw/zinc/81/03/65/702810365.db2.gz DONKAOAYPXRZTO-KRWDZBQOSA-N 2 1 303.450 1.955 20 10 DDCDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000843121946 702823761 /nfs/dbraw/zinc/82/37/61/702823761.db2.gz MDFHAXPDFWTFKC-AWEZNQCLSA-N 2 1 309.385 1.351 20 10 DDCDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162729 702980442 /nfs/dbraw/zinc/98/04/42/702980442.db2.gz NTRNEQRLSJUMOQ-JKIFEVAISA-N 2 1 318.465 1.741 20 10 DDCDMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c(O)c1OC ZINC000897619974 708396941 /nfs/dbraw/zinc/39/69/41/708396941.db2.gz AWVROPTWEPJEQM-SUMWQHHRSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c(O)c1OC ZINC000897619974 708396944 /nfs/dbraw/zinc/39/69/44/708396944.db2.gz AWVROPTWEPJEQM-SUMWQHHRSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(O)c1OC ZINC000897619974 708396947 /nfs/dbraw/zinc/39/69/47/708396947.db2.gz AWVROPTWEPJEQM-SUMWQHHRSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c(O)c1OC ZINC000897619974 708396950 /nfs/dbraw/zinc/39/69/50/708396950.db2.gz AWVROPTWEPJEQM-SUMWQHHRSA-N 2 1 306.406 1.793 20 10 DDCDMP CCN1CC[NH+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC001140299724 733490916 /nfs/dbraw/zinc/49/09/16/733490916.db2.gz DVRMFVTWBZQCBC-UHFFFAOYSA-N 2 1 316.493 1.966 20 10 DDCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001275279120 852948918 /nfs/dbraw/zinc/94/89/18/852948918.db2.gz SISKFTXFEUOXIW-IYBDPMFKSA-N 2 1 319.449 1.611 20 10 DDCDMP Cc1cc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)ccc1N(C)C ZINC001275360634 853014985 /nfs/dbraw/zinc/01/49/85/853014985.db2.gz DXEJIFLCYCQYGK-UHFFFAOYSA-N 2 1 316.493 1.883 20 10 DDCDMP COC(=O)[C@H]1CC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139254362 860338106 /nfs/dbraw/zinc/33/81/06/860338106.db2.gz IHQLIUGBBWBZBC-ZDUSSCGKSA-N 2 1 322.405 1.457 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4=O)cc2)CC1 ZINC001139412112 860392816 /nfs/dbraw/zinc/39/28/16/860392816.db2.gz FSZSQMMOJDDWMB-CALCHBBNSA-N 2 1 313.445 1.849 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCC(=O)NC)cc2)CC1 ZINC001140304692 860616155 /nfs/dbraw/zinc/61/61/55/860616155.db2.gz YMUWGFNWLSRNPV-UHFFFAOYSA-N 2 1 318.465 1.396 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3O)cc2F)CC1 ZINC001329733447 863818334 /nfs/dbraw/zinc/81/83/34/863818334.db2.gz SBVZSBBKEWSWPT-RDJZCZTQSA-N 2 1 307.413 1.581 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc2)CC1 ZINC001205102399 871363513 /nfs/dbraw/zinc/36/35/13/871363513.db2.gz RJQJMVGEYHDWIB-KRWDZBQOSA-N 3 1 302.466 1.752 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]([NH3+])CC3)cc2)CC1 ZINC001205102399 871363529 /nfs/dbraw/zinc/36/35/29/871363529.db2.gz RJQJMVGEYHDWIB-KRWDZBQOSA-N 2 1 302.466 1.752 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc2)CC1 ZINC001205102399 871363545 /nfs/dbraw/zinc/36/35/45/871363545.db2.gz RJQJMVGEYHDWIB-KRWDZBQOSA-N 2 1 302.466 1.752 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)ccc21 ZINC001205673883 871686901 /nfs/dbraw/zinc/68/69/01/871686901.db2.gz VGHYRJJIKWMPEH-SFHVURJKSA-N 2 1 303.450 1.745 20 10 DDCDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1F ZINC001206173339 872111129 /nfs/dbraw/zinc/11/11/29/872111129.db2.gz HCJCKFAWTCTALH-ROUUACIJSA-N 2 1 321.440 1.909 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1F ZINC001206173339 872111133 /nfs/dbraw/zinc/11/11/33/872111133.db2.gz HCJCKFAWTCTALH-ROUUACIJSA-N 2 1 321.440 1.909 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3cn[nH]c3)cc2F)CC1 ZINC001347330308 874101981 /nfs/dbraw/zinc/10/19/81/874101981.db2.gz LZSYMLBQUCHBGW-UHFFFAOYSA-N 2 1 317.412 1.633 20 10 DDCDMP C[C@H]1CC[C@@H](NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[NH2+]1 ZINC001348437321 874557477 /nfs/dbraw/zinc/55/74/77/874557477.db2.gz VVJVAPOINPTZEV-GOEBONIOSA-N 2 1 320.456 1.808 20 10 DDCDMP CCOc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222104820 880255809 /nfs/dbraw/zinc/25/58/09/880255809.db2.gz MMBYLLTVRUKBIK-UHFFFAOYSA-N 2 1 305.422 1.318 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235956517 889027907 /nfs/dbraw/zinc/02/79/07/889027907.db2.gz FKUPVHMNXDGEFL-QGZVFWFLSA-N 3 1 302.466 1.528 20 10 DDCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235956517 889027922 /nfs/dbraw/zinc/02/79/22/889027922.db2.gz FKUPVHMNXDGEFL-QGZVFWFLSA-N 2 1 302.466 1.528 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236208209 889146664 /nfs/dbraw/zinc/14/66/64/889146664.db2.gz TVPDGXULMUVYNA-GOSISDBHSA-N 3 1 318.465 1.376 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236208209 889146670 /nfs/dbraw/zinc/14/66/70/889146670.db2.gz TVPDGXULMUVYNA-GOSISDBHSA-N 3 1 318.465 1.376 20 10 DDCDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCC[NH2+]C4)C[C@@H]12 ZINC001236830343 889373694 /nfs/dbraw/zinc/37/36/94/889373694.db2.gz NGOTZPSOMDHCFW-KCPJHIHWSA-N 3 1 303.406 1.043 20 10 DDCDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364417550 279306125 /nfs/dbraw/zinc/30/61/25/279306125.db2.gz PEBAHIOQMIHYRU-MRXNPFEDSA-N 2 1 315.465 1.777 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1CO ZINC000785984608 699115383 /nfs/dbraw/zinc/11/53/83/699115383.db2.gz OPWTUBLIMGMCFV-CRAIPNDOSA-N 2 1 303.450 1.641 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](CO)O1 ZINC000787416890 699210918 /nfs/dbraw/zinc/21/09/18/699210918.db2.gz KLJYFOIDSDYKJP-YJBOKZPZSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](CO)O1 ZINC000787416890 699210919 /nfs/dbraw/zinc/21/09/19/699210919.db2.gz KLJYFOIDSDYKJP-YJBOKZPZSA-N 2 1 319.449 1.020 20 10 DDCDMP COc1c(O)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841056373 702328270 /nfs/dbraw/zinc/32/82/70/702328270.db2.gz GCZAIMZSRBEQAX-OAHLLOKOSA-N 2 1 309.366 1.788 20 10 DDCDMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N2CCOCC2)c(F)c1 ZINC000817976977 702541861 /nfs/dbraw/zinc/54/18/61/702541861.db2.gz YAYLAPVEBVTQSX-CVGURMSBSA-N 2 1 305.397 1.531 20 10 DDCDMP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844227496 702997524 /nfs/dbraw/zinc/99/75/24/702997524.db2.gz WZRYQTNUZPKEIJ-HOCLYGCPSA-N 2 1 318.465 1.286 20 10 DDCDMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844227496 702997525 /nfs/dbraw/zinc/99/75/25/702997525.db2.gz WZRYQTNUZPKEIJ-HOCLYGCPSA-N 2 1 318.465 1.286 20 10 DDCDMP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc2c1OCC2 ZINC000848525251 703561210 /nfs/dbraw/zinc/56/12/10/703561210.db2.gz MUUSTKHDCFTJDR-QGZVFWFLSA-N 2 1 302.418 1.964 20 10 DDCDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834570080 707088512 /nfs/dbraw/zinc/08/85/12/707088512.db2.gz CLBQGFGSYVIZOT-LSDHHAIUSA-N 2 1 317.433 1.557 20 10 DDCDMP COc1cccc(O)c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827699668 706052010 /nfs/dbraw/zinc/05/20/10/706052010.db2.gz LDICHPSNZNBHMD-CQSZACIVSA-N 2 1 306.406 1.432 20 10 DDCDMP CCc1cccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827700033 706052229 /nfs/dbraw/zinc/05/22/29/706052229.db2.gz OKVTULSZHLNOPR-KRWDZBQOSA-N 2 1 304.434 1.986 20 10 DDCDMP CCc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827700033 706052235 /nfs/dbraw/zinc/05/22/35/706052235.db2.gz OKVTULSZHLNOPR-KRWDZBQOSA-N 2 1 304.434 1.986 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@]1(C)CO ZINC000827700866 706052576 /nfs/dbraw/zinc/05/25/76/706052576.db2.gz YMTDUYHKRPTKGB-APWZRJJASA-N 2 1 317.477 1.889 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000883443052 708003248 /nfs/dbraw/zinc/00/32/48/708003248.db2.gz YTPIBTSMUOLEGH-LSDHHAIUSA-N 2 1 304.438 1.084 20 10 DDCDMP CCN(C)C(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116651094 780539224 /nfs/dbraw/zinc/53/92/24/780539224.db2.gz BSXMZMMRTNMTHW-UHFFFAOYSA-N 2 1 322.428 1.145 20 10 DDCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CO1 ZINC001326492387 861405247 /nfs/dbraw/zinc/40/52/47/861405247.db2.gz ZDCISTLVFLUUTN-DZGCQCFKSA-N 2 1 307.413 1.845 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)cc2F)CC1 ZINC001332238986 865689190 /nfs/dbraw/zinc/68/91/90/865689190.db2.gz RZKQLYJPVLIONW-IYBDPMFKSA-N 2 1 319.424 1.656 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)cc2F)CC1 ZINC001332238986 865689194 /nfs/dbraw/zinc/68/91/94/865689194.db2.gz RZKQLYJPVLIONW-IYBDPMFKSA-N 2 1 319.424 1.656 20 10 DDCDMP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001319729472 866258838 /nfs/dbraw/zinc/25/88/38/866258838.db2.gz QXUNFLMEACABSZ-CRAIPNDOSA-N 2 1 321.440 1.780 20 10 DDCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001319729472 866258861 /nfs/dbraw/zinc/25/88/61/866258861.db2.gz QXUNFLMEACABSZ-CRAIPNDOSA-N 2 1 321.440 1.780 20 10 DDCDMP COC[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308231799 871482676 /nfs/dbraw/zinc/48/26/76/871482676.db2.gz MVLTXSIUKGOBLN-AWEZNQCLSA-N 2 1 309.429 1.950 20 10 DDCDMP COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206480615 872368821 /nfs/dbraw/zinc/36/88/21/872368821.db2.gz FMYSPYQATDYZBH-YVEFUNNKSA-N 2 1 302.374 1.305 20 10 DDCDMP COc1cc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(Cl)c1 ZINC001234987012 888301409 /nfs/dbraw/zinc/30/14/09/888301409.db2.gz CXYLNVZTRAJFLO-OAHLLOKOSA-N 2 1 311.813 1.192 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC12CC[NH2+]CC2 ZINC001235101805 888409990 /nfs/dbraw/zinc/40/99/90/888409990.db2.gz GGSJIPUBXAKSEZ-UHFFFAOYSA-N 3 1 300.450 1.424 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235101805 888409996 /nfs/dbraw/zinc/40/99/96/888409996.db2.gz GGSJIPUBXAKSEZ-UHFFFAOYSA-N 3 1 300.450 1.424 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000775634905 698017020 /nfs/dbraw/zinc/01/70/20/698017020.db2.gz ZFCLMAKIIBOLKB-INIZCTEOSA-N 2 1 316.449 1.136 20 10 DDCDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1O ZINC000783509337 698845597 /nfs/dbraw/zinc/84/55/97/698845597.db2.gz SOVHTLGPEPHEAJ-UONOGXRCSA-N 2 1 305.422 1.630 20 10 DDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]2C1 ZINC000787302829 699204439 /nfs/dbraw/zinc/20/44/39/699204439.db2.gz FUMBPZOXLKLVEW-HDICACEKSA-N 3 1 314.477 1.432 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]2C1 ZINC000787302829 699204441 /nfs/dbraw/zinc/20/44/41/699204441.db2.gz FUMBPZOXLKLVEW-HDICACEKSA-N 3 1 314.477 1.432 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]2C1 ZINC000787302829 699204444 /nfs/dbraw/zinc/20/44/44/699204444.db2.gz FUMBPZOXLKLVEW-HDICACEKSA-N 3 1 314.477 1.432 20 10 DDCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000762568648 700898571 /nfs/dbraw/zinc/89/85/71/700898571.db2.gz MMSSCCZXDOLPOT-GOSISDBHSA-N 2 1 303.450 1.833 20 10 DDCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000762568648 700898572 /nfs/dbraw/zinc/89/85/72/700898572.db2.gz MMSSCCZXDOLPOT-GOSISDBHSA-N 2 1 303.450 1.833 20 10 DDCDMP COc1c(O)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000841029166 702315810 /nfs/dbraw/zinc/31/58/10/702315810.db2.gz VCTXNTZNQCRMBI-ZYHUDNBSSA-N 2 1 309.366 1.916 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000841078187 702338031 /nfs/dbraw/zinc/33/80/31/702338031.db2.gz FUOGEVUROQPYRD-GOSISDBHSA-N 2 1 314.477 1.670 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1C ZINC000841099027 702346667 /nfs/dbraw/zinc/34/66/67/702346667.db2.gz BKSVBBHAVRSOCY-MRXNPFEDSA-N 2 1 315.421 1.896 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843124871 702824806 /nfs/dbraw/zinc/82/48/06/702824806.db2.gz JVKBRHFSSSSTET-MRXNPFEDSA-N 2 1 303.450 1.940 20 10 DDCDMP CC(=O)NCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843427494 702879314 /nfs/dbraw/zinc/87/93/14/702879314.db2.gz FAFSTMHYPSPKQI-UHFFFAOYSA-N 2 1 304.438 1.006 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1COCCO1 ZINC000827140053 705938196 /nfs/dbraw/zinc/93/81/96/705938196.db2.gz GVQUONGDGXEGQO-GOSISDBHSA-N 2 1 319.449 1.286 20 10 DDCDMP O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)C[NH+]1CCCC1 ZINC000863552791 705955980 /nfs/dbraw/zinc/95/59/80/705955980.db2.gz PWWPEMVLFBZNRZ-GOSISDBHSA-N 2 1 301.434 1.609 20 10 DDCDMP COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)cc1O ZINC001205781718 746915206 /nfs/dbraw/zinc/91/52/06/746915206.db2.gz YAIHURMDGHCXKH-SNVBAGLBSA-N 2 1 302.321 1.522 20 10 DDCDMP COc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)cc1O ZINC001205781718 746915211 /nfs/dbraw/zinc/91/52/11/746915211.db2.gz YAIHURMDGHCXKH-SNVBAGLBSA-N 2 1 302.321 1.522 20 10 DDCDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)N(C)C ZINC001117750247 748988131 /nfs/dbraw/zinc/98/81/31/748988131.db2.gz CJQLBNUIRPTUMA-AWEZNQCLSA-N 2 1 308.445 1.617 20 10 DDCDMP C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139413220 860392438 /nfs/dbraw/zinc/39/24/38/860392438.db2.gz SWIUFFMLWVMWQG-QAPCUYQASA-N 2 1 303.450 1.784 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](F)C[C@H]3CO)cc2)CC1 ZINC001140302001 860614798 /nfs/dbraw/zinc/61/47/98/860614798.db2.gz HCISMJPPVVZHQV-WMZOPIPTSA-N 2 1 321.440 1.733 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001140623565 860664849 /nfs/dbraw/zinc/66/48/49/860664849.db2.gz VGLSMXDGFSJHQO-UHFFFAOYSA-N 2 1 305.422 1.297 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(OC)c1 ZINC001141034820 860770163 /nfs/dbraw/zinc/77/01/63/860770163.db2.gz RPSYWUFJLBEILP-OLZOCXBDSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1cc(O)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(OC)c1 ZINC001141034820 860770166 /nfs/dbraw/zinc/77/01/66/860770166.db2.gz RPSYWUFJLBEILP-OLZOCXBDSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1cc(O)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(OC)c1 ZINC001141034820 860770173 /nfs/dbraw/zinc/77/01/73/860770173.db2.gz RPSYWUFJLBEILP-OLZOCXBDSA-N 2 1 306.406 1.793 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)cc2F)CC1 ZINC001320486871 866773337 /nfs/dbraw/zinc/77/33/37/866773337.db2.gz OTGBAUZTRMNHQR-QGZVFWFLSA-N 2 1 319.424 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)cc2F)CC1 ZINC001320486871 866773348 /nfs/dbraw/zinc/77/33/48/866773348.db2.gz OTGBAUZTRMNHQR-QGZVFWFLSA-N 2 1 319.424 1.534 20 10 DDCDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(O)cc1O ZINC001204275480 871034824 /nfs/dbraw/zinc/03/48/24/871034824.db2.gz SBZYBOFZCLFSJZ-UHFFFAOYSA-N 2 1 310.394 1.415 20 10 DDCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)cc1O ZINC001204275480 871034836 /nfs/dbraw/zinc/03/48/36/871034836.db2.gz SBZYBOFZCLFSJZ-UHFFFAOYSA-N 2 1 310.394 1.415 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(O)c1 ZINC001205651661 871676923 /nfs/dbraw/zinc/67/69/23/871676923.db2.gz IBCYKWFBHZGANH-DZGCQCFKSA-N 2 1 320.433 1.915 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(F)c1O ZINC001276537905 873342374 /nfs/dbraw/zinc/34/23/74/873342374.db2.gz PLDUUZOYXDAJQP-HOTGVXAUSA-N 2 1 307.413 1.742 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1O ZINC001276537905 873342385 /nfs/dbraw/zinc/34/23/85/873342385.db2.gz PLDUUZOYXDAJQP-HOTGVXAUSA-N 2 1 307.413 1.742 20 10 DDCDMP Cc1cc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)ccc1N(C)C ZINC001222497537 880512461 /nfs/dbraw/zinc/51/24/61/880512461.db2.gz OQAGEWNCQDAKNW-WMZOPIPTSA-N 2 1 302.466 1.587 20 10 DDCDMP Cc1cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)ccc1N(C)C ZINC001222497537 880512468 /nfs/dbraw/zinc/51/24/68/880512468.db2.gz OQAGEWNCQDAKNW-WMZOPIPTSA-N 2 1 302.466 1.587 20 10 DDCDMP CC[C@@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176360 892464275 /nfs/dbraw/zinc/46/42/75/892464275.db2.gz WXRORDCEEYSTGZ-IAGOWNOFSA-N 2 1 302.466 1.716 20 10 DDCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246927904 892996689 /nfs/dbraw/zinc/99/66/89/892996689.db2.gz YGUIGWRHNUMWPZ-QGZVFWFLSA-N 2 1 302.466 1.669 20 10 DDCDMP CCNC(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775657964 698020040 /nfs/dbraw/zinc/02/00/40/698020040.db2.gz IZTGUGJQDSAHEG-UHFFFAOYSA-N 2 1 304.438 1.006 20 10 DDCDMP CCNC(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775657964 698020041 /nfs/dbraw/zinc/02/00/41/698020041.db2.gz IZTGUGJQDSAHEG-UHFFFAOYSA-N 2 1 304.438 1.006 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CN1C ZINC000775986929 698057900 /nfs/dbraw/zinc/05/79/00/698057900.db2.gz SUAIXFMYVVIDND-IAGOWNOFSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775986929 698057905 /nfs/dbraw/zinc/05/79/05/698057905.db2.gz SUAIXFMYVVIDND-IAGOWNOFSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775986929 698057909 /nfs/dbraw/zinc/05/79/09/698057909.db2.gz SUAIXFMYVVIDND-IAGOWNOFSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844222605 702996109 /nfs/dbraw/zinc/99/61/09/702996109.db2.gz IXWBHBXSKGWNTR-DZGCQCFKSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844222605 702996112 /nfs/dbraw/zinc/99/61/12/702996112.db2.gz IXWBHBXSKGWNTR-DZGCQCFKSA-N 2 1 304.438 1.038 20 10 DDCDMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507193 705739198 /nfs/dbraw/zinc/73/91/98/705739198.db2.gz XPHDIBYINKEYTM-OAHLLOKOSA-N 2 1 301.394 1.074 20 10 DDCDMP COc1c(O)c(C[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000873221051 707774215 /nfs/dbraw/zinc/77/42/15/707774215.db2.gz YQRPERSGFIGNFQ-JTQLQIEISA-N 2 1 309.366 1.787 20 10 DDCDMP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[NH+](C)C)cc1 ZINC000891248601 710141333 /nfs/dbraw/zinc/14/13/33/710141333.db2.gz ZKHDLCHVTUOWRW-IRXDYDNUSA-N 2 1 318.465 1.566 20 10 DDCDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(O)c1OC ZINC000895845337 711623638 /nfs/dbraw/zinc/62/36/38/711623638.db2.gz VIBODLHLKZKGPA-GXTWGEPZSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(O)c1OC ZINC000895845337 711623640 /nfs/dbraw/zinc/62/36/40/711623640.db2.gz VIBODLHLKZKGPA-GXTWGEPZSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(O)c1OC ZINC000895845337 711623642 /nfs/dbraw/zinc/62/36/42/711623642.db2.gz VIBODLHLKZKGPA-GXTWGEPZSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(O)c1OC ZINC000895845337 711623643 /nfs/dbraw/zinc/62/36/43/711623643.db2.gz VIBODLHLKZKGPA-GXTWGEPZSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc1C ZINC001133863996 770379536 /nfs/dbraw/zinc/37/95/36/770379536.db2.gz SRYBJTNCSRZFSA-HOCLYGCPSA-N 2 1 319.449 1.407 20 10 DDCDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001148578166 773536312 /nfs/dbraw/zinc/53/63/12/773536312.db2.gz PJUYWMWZLVCLRQ-UHFFFAOYSA-N 2 1 321.465 1.941 20 10 DDCDMP C[C@@H](CN(C)C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117629892 780866999 /nfs/dbraw/zinc/86/69/99/780866999.db2.gz WJTNQSSSCLZAPE-AWEZNQCLSA-N 2 1 308.445 1.617 20 10 DDCDMP C[N@@H+](CCC1OCCO1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412320 860392512 /nfs/dbraw/zinc/39/25/12/860392512.db2.gz GABHFMQGESXDIF-UHFFFAOYSA-N 2 1 319.449 1.633 20 10 DDCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206623111 860705613 /nfs/dbraw/zinc/70/56/13/860705613.db2.gz JEYUKGHZXRXAEZ-QGZVFWFLSA-N 3 1 302.466 1.657 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)CCF)cc2F)CC1 ZINC001328728535 863178639 /nfs/dbraw/zinc/17/86/39/863178639.db2.gz SWZKTCJFSPHAFT-CQSZACIVSA-N 2 1 313.392 1.388 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC001206036724 872007899 /nfs/dbraw/zinc/00/78/99/872007899.db2.gz OZXSCXASAZJXEO-DZGCQCFKSA-N 2 1 320.433 1.915 20 10 DDCDMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001206808041 872611633 /nfs/dbraw/zinc/61/16/33/872611633.db2.gz JPMPFWABIJSRPT-CABCVRRESA-N 3 1 318.465 1.361 20 10 DDCDMP COc1cc(N(C)C)ccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001231849211 885905700 /nfs/dbraw/zinc/90/57/00/885905700.db2.gz OVDPTBXHVQSFLR-UHFFFAOYSA-N 2 1 320.481 1.440 20 10 DDCDMP CN1CCCc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235055377 888376916 /nfs/dbraw/zinc/37/69/16/888376916.db2.gz VSLFBIQKTPDNPP-SFHVURJKSA-N 2 1 300.450 1.206 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235055377 888376935 /nfs/dbraw/zinc/37/69/35/888376935.db2.gz VSLFBIQKTPDNPP-SFHVURJKSA-N 2 1 300.450 1.206 20 10 DDCDMP CC(C)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001235471780 888667163 /nfs/dbraw/zinc/66/71/63/888667163.db2.gz MZXZTYXJLWKSGR-KRWDZBQOSA-N 2 1 318.465 1.232 20 10 DDCDMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001235471780 888667174 /nfs/dbraw/zinc/66/71/74/888667174.db2.gz MZXZTYXJLWKSGR-KRWDZBQOSA-N 2 1 318.465 1.232 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1O ZINC001236931709 889427960 /nfs/dbraw/zinc/42/79/60/889427960.db2.gz KZTNREIJMRPUHT-KSSFIOAISA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236930643 889428342 /nfs/dbraw/zinc/42/83/42/889428342.db2.gz DXLJNTWLNMUOLL-RHSMWYFYSA-N 2 1 321.440 1.923 20 10 DDCDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000793762662 699777480 /nfs/dbraw/zinc/77/74/80/699777480.db2.gz AVIGSVOJPCSIRY-DOTOQJQBSA-N 2 1 304.390 1.346 20 10 DDCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000793762662 699777482 /nfs/dbraw/zinc/77/74/82/699777482.db2.gz AVIGSVOJPCSIRY-DOTOQJQBSA-N 2 1 304.390 1.346 20 10 DDCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000793762662 699777484 /nfs/dbraw/zinc/77/74/84/699777484.db2.gz AVIGSVOJPCSIRY-DOTOQJQBSA-N 2 1 304.390 1.346 20 10 DDCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000793762662 699777486 /nfs/dbraw/zinc/77/74/86/699777486.db2.gz AVIGSVOJPCSIRY-DOTOQJQBSA-N 2 1 304.390 1.346 20 10 DDCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762790191 700906919 /nfs/dbraw/zinc/90/69/19/700906919.db2.gz YDELKKINBKRVCX-ACJLOTCBSA-N 2 1 304.434 1.988 20 10 DDCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762790191 700906920 /nfs/dbraw/zinc/90/69/20/700906920.db2.gz YDELKKINBKRVCX-ACJLOTCBSA-N 2 1 304.434 1.988 20 10 DDCDMP COc1cccc(O)c1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000809735057 701684087 /nfs/dbraw/zinc/68/40/87/701684087.db2.gz WFENIZKCXVMZLR-UHFFFAOYSA-N 2 1 321.465 1.859 20 10 DDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000817936841 702529743 /nfs/dbraw/zinc/52/97/43/702529743.db2.gz RVCDUSOQZBGHAO-ZDUSSCGKSA-N 2 1 321.421 1.125 20 10 DDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000817976911 702542101 /nfs/dbraw/zinc/54/21/01/702542101.db2.gz WTOQTWNEJXZGRE-ABAIWWIYSA-N 2 1 304.390 1.972 20 10 DDCDMP Cc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843047532 702807613 /nfs/dbraw/zinc/80/76/13/702807613.db2.gz VFAKYXFMRJCQJB-INIZCTEOSA-N 2 1 317.433 1.344 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C[NH3+])C3)cc2)CC1 ZINC000843046805 702808068 /nfs/dbraw/zinc/80/80/68/702808068.db2.gz BBLNKDLWFYKRJK-QGZVFWFLSA-N 3 1 302.466 1.609 20 10 DDCDMP CCOc1cccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000863648805 705976722 /nfs/dbraw/zinc/97/67/22/705976722.db2.gz JUBSNODQPBLEBG-UHFFFAOYSA-N 2 1 304.350 1.035 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(OC)ccc1O)C2 ZINC000903977078 711354792 /nfs/dbraw/zinc/35/47/92/711354792.db2.gz IMPCWXRJMRZHJL-AHIWAGSCSA-N 2 1 320.389 1.113 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCn3ccnc3)cc2F)CC1 ZINC001198942853 747656006 /nfs/dbraw/zinc/65/60/06/747656006.db2.gz IAXKLKNDKOVEEV-UHFFFAOYSA-N 2 1 317.412 1.564 20 10 DDCDMP CN(C)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001327486179 862208195 /nfs/dbraw/zinc/20/81/95/862208195.db2.gz JXWKBACYYWSRTQ-UHFFFAOYSA-N 2 1 320.456 1.761 20 10 DDCDMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1O ZINC001276080549 854712411 /nfs/dbraw/zinc/71/24/11/854712411.db2.gz QMDJYGFMKIVQTF-IRXDYDNUSA-N 2 1 303.450 1.911 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C4(CC4)C3)cc2)CC1 ZINC001325902931 860942986 /nfs/dbraw/zinc/94/29/86/860942986.db2.gz LKAWZVMIPWMGMB-KRWDZBQOSA-N 2 1 301.434 1.395 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC[C@H]1C[NH3+] ZINC001206021706 871999547 /nfs/dbraw/zinc/99/95/47/871999547.db2.gz ATLGBFIHKSWXIZ-KGLIPLIRSA-N 3 1 319.449 1.681 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CCC[C@H]1C[NH3+] ZINC001206021706 871999557 /nfs/dbraw/zinc/99/95/57/871999557.db2.gz ATLGBFIHKSWXIZ-KGLIPLIRSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CCC[C@H]1C[NH3+] ZINC001206021706 871999567 /nfs/dbraw/zinc/99/95/67/871999567.db2.gz ATLGBFIHKSWXIZ-KGLIPLIRSA-N 2 1 319.449 1.681 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]3(C)CO)cc2F)CC1 ZINC001343506388 872650817 /nfs/dbraw/zinc/65/08/17/872650817.db2.gz AUMZRGMNWJIJNQ-GOSISDBHSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]3(C)CO)cc2F)CC1 ZINC001343506388 872650823 /nfs/dbraw/zinc/65/08/23/872650823.db2.gz AUMZRGMNWJIJNQ-GOSISDBHSA-N 2 1 321.440 1.924 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CCC13CC[NH2+]CC3)C[NH2+]CCO2 ZINC001235103888 888409336 /nfs/dbraw/zinc/40/93/36/888409336.db2.gz YPLXBFIXLMVISM-UHFFFAOYSA-N 3 1 303.406 1.202 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCC13CC[NH2+]CC3)C[NH2+]CCO2 ZINC001235103888 888409343 /nfs/dbraw/zinc/40/93/43/888409343.db2.gz YPLXBFIXLMVISM-UHFFFAOYSA-N 3 1 303.406 1.202 20 10 DDCDMP COc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC000119531933 408089416 /nfs/dbraw/zinc/08/94/16/408089416.db2.gz CWOIOEFGWMIOGQ-UHFFFAOYSA-N 2 1 319.449 1.614 20 10 DDCDMP CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816660661 702137377 /nfs/dbraw/zinc/13/73/77/702137377.db2.gz LRZGOTPRNBYFGO-GOSISDBHSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816660661 702137381 /nfs/dbraw/zinc/13/73/81/702137381.db2.gz LRZGOTPRNBYFGO-GOSISDBHSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816660661 702137384 /nfs/dbraw/zinc/13/73/84/702137384.db2.gz LRZGOTPRNBYFGO-GOSISDBHSA-N 2 1 316.493 1.964 20 10 DDCDMP Oc1ccc(Cl)c(F)c1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841029265 702315307 /nfs/dbraw/zinc/31/53/07/702315307.db2.gz LJUFTXCBXKQXST-UHFFFAOYSA-N 2 1 301.793 1.570 20 10 DDCDMP Oc1ccc(F)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841087416 702341736 /nfs/dbraw/zinc/34/17/36/702341736.db2.gz NRCLPSQVJJUCCW-UHFFFAOYSA-N 2 1 307.413 1.837 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000844217857 702994394 /nfs/dbraw/zinc/99/43/94/702994394.db2.gz OYFGMISTNVEEOW-INIZCTEOSA-N 2 1 318.465 1.382 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000844217857 702994396 /nfs/dbraw/zinc/99/43/96/702994396.db2.gz OYFGMISTNVEEOW-INIZCTEOSA-N 2 1 318.465 1.382 20 10 DDCDMP COc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1O ZINC000846145929 703242538 /nfs/dbraw/zinc/24/25/38/703242538.db2.gz QSKHUAKBFIGRIT-CYBMUJFWSA-N 2 1 308.422 1.898 20 10 DDCDMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883043422 707910378 /nfs/dbraw/zinc/91/03/78/707910378.db2.gz JTTPTETYJZUBCG-UHFFFAOYSA-N 2 1 314.376 1.995 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000903978408 711355434 /nfs/dbraw/zinc/35/54/34/711355434.db2.gz DQNNVCBMAOYAAI-USBNGQNGSA-N 2 1 324.808 1.758 20 10 DDCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nncn1C ZINC001177718774 778712076 /nfs/dbraw/zinc/71/20/76/778712076.db2.gz KRQXJVYZWKWZSO-CQSZACIVSA-N 2 1 314.437 1.418 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@](C)(CO)C3CC3)cc2F)CC1 ZINC001178125274 778916593 /nfs/dbraw/zinc/91/65/93/778916593.db2.gz UFZJLTIVVXHWDD-SFHVURJKSA-N 2 1 321.440 1.828 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1c(O)cccc1F)C2 ZINC001276359903 855716039 /nfs/dbraw/zinc/71/60/39/855716039.db2.gz MXWJGIHMSWMADA-UHFFFAOYSA-N 2 1 321.440 1.991 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001276359903 855716049 /nfs/dbraw/zinc/71/60/49/855716049.db2.gz MXWJGIHMSWMADA-UHFFFAOYSA-N 2 1 321.440 1.991 20 10 DDCDMP COc1cc(CN2CC[N@H+]3CC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259695 860341091 /nfs/dbraw/zinc/34/10/91/860341091.db2.gz AQNWYXRXPAMRQQ-HNNXBMFYSA-N 2 1 305.422 1.352 20 10 DDCDMP CC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410978 860390660 /nfs/dbraw/zinc/39/06/60/860390660.db2.gz OFRSHSMVJBVHBD-KRWDZBQOSA-N 2 1 301.434 1.849 20 10 DDCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001157434591 863819872 /nfs/dbraw/zinc/81/98/72/863819872.db2.gz OSYVKDXWFKSLDA-WFASDCNBSA-N 2 1 305.422 1.425 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC3(CO)CC3)cc2F)CC1 ZINC001324378596 867243637 /nfs/dbraw/zinc/24/36/37/867243637.db2.gz MLUDJCPGKVGWRG-UHFFFAOYSA-N 2 1 321.440 1.830 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N)[C@@H](F)CC3)cc2)CC1 ZINC001206174000 872111430 /nfs/dbraw/zinc/11/14/30/872111430.db2.gz LCORGOOVXFOCLB-ZWKOTPCHSA-N 2 1 320.456 1.700 20 10 DDCDMP COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206381251 872270246 /nfs/dbraw/zinc/27/02/46/872270246.db2.gz VLNGBCFGOXTIOJ-QGZVFWFLSA-N 2 1 324.396 1.761 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206381251 872270258 /nfs/dbraw/zinc/27/02/58/872270258.db2.gz VLNGBCFGOXTIOJ-QGZVFWFLSA-N 2 1 324.396 1.761 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCOC3)cc2F)CC1 ZINC001319502242 872662634 /nfs/dbraw/zinc/66/26/34/872662634.db2.gz ARWPASNCDBCXBE-KRWDZBQOSA-N 2 1 307.413 1.846 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@H]1CCC[NH2+]C1 ZINC001235956970 889031528 /nfs/dbraw/zinc/03/15/28/889031528.db2.gz IZAHTVUUQWDHRN-ZDUSSCGKSA-N 3 1 305.422 1.306 20 10 DDCDMP CN(Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@H]1CCC[NH2+]C1 ZINC001235956970 889031540 /nfs/dbraw/zinc/03/15/40/889031540.db2.gz IZAHTVUUQWDHRN-ZDUSSCGKSA-N 2 1 305.422 1.306 20 10 DDCDMP COc1cc(Cl)cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235999993 889056004 /nfs/dbraw/zinc/05/60/04/889056004.db2.gz PHZDJGJQWORNKW-BVUQATHDSA-N 2 1 312.797 1.460 20 10 DDCDMP COc1cc(Cl)cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235999993 889056020 /nfs/dbraw/zinc/05/60/20/889056020.db2.gz PHZDJGJQWORNKW-BVUQATHDSA-N 2 1 312.797 1.460 20 10 DDCDMP CC(C)[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246173759 892461625 /nfs/dbraw/zinc/46/16/25/892461625.db2.gz MJPYMHFUFYRLNI-HKUYNNGSSA-N 2 1 316.493 1.962 20 10 DDCDMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001265758799 902375646 /nfs/dbraw/zinc/37/56/46/902375646.db2.gz KCCHLFZBTFKXSQ-HOCLYGCPSA-N 2 1 319.449 1.692 20 10 DDCDMP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1)[C@H]1CCC[NH2+]1 ZINC000321883469 698731135 /nfs/dbraw/zinc/73/11/35/698731135.db2.gz KBSOIPVTDRFAQE-GDBMZVCRSA-N 2 1 317.433 1.472 20 10 DDCDMP C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817413519 702373692 /nfs/dbraw/zinc/37/36/92/702373692.db2.gz YRYSLKUDHKGTRK-FUHWJXTLSA-N 2 1 317.477 1.889 20 10 DDCDMP C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1C[NH2+]C1 ZINC000817934567 702528861 /nfs/dbraw/zinc/52/88/61/702528861.db2.gz IHGXOLNTRMFPDV-LLVKDONJSA-N 2 1 311.376 1.499 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000843122769 702824016 /nfs/dbraw/zinc/82/40/16/702824016.db2.gz ODEYRKKZGCVXSQ-CYBMUJFWSA-N 2 1 309.841 1.834 20 10 DDCDMP CCOc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000843125072 702824987 /nfs/dbraw/zinc/82/49/87/702824987.db2.gz MYLZHVBRJUCSMF-HNNXBMFYSA-N 2 1 320.433 1.978 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]CCC3(C[NH3+])CC3)cc2)CC1 ZINC000844903486 703082598 /nfs/dbraw/zinc/08/25/98/703082598.db2.gz DEGNOGPJGWBIMN-UHFFFAOYSA-N 2 1 302.466 1.657 20 10 DDCDMP CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000835037456 707161062 /nfs/dbraw/zinc/16/10/62/707161062.db2.gz WHBJZJDDRWXWHZ-QWNKOJSDSA-N 2 1 303.450 1.812 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000883442484 708003122 /nfs/dbraw/zinc/00/31/22/708003122.db2.gz MBFMBKXNFATIAP-JKSUJKDBSA-N 2 1 318.465 1.426 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C(C)(C)C3)cc2F)CC1 ZINC001116852397 780567885 /nfs/dbraw/zinc/56/78/85/780567885.db2.gz VSTFPVGPQFEBHC-QGZVFWFLSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)C(C)(C)C3)cc2F)CC1 ZINC001116852397 780567889 /nfs/dbraw/zinc/56/78/89/780567889.db2.gz VSTFPVGPQFEBHC-QGZVFWFLSA-N 2 1 321.440 1.780 20 10 DDCDMP Cc1cccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c1O ZINC001276080140 854712976 /nfs/dbraw/zinc/71/29/76/854712976.db2.gz JHPVSQFVRJLUQZ-IRXDYDNUSA-N 2 1 319.449 1.147 20 10 DDCDMP COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C[NH+](C)C)c1O ZINC001139258917 860340740 /nfs/dbraw/zinc/34/07/40/860340740.db2.gz AOEKSSOWYANVIC-IYBDPMFKSA-N 2 1 319.449 1.741 20 10 DDCDMP CCOC(=O)C1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139409375 860391139 /nfs/dbraw/zinc/39/11/39/860391139.db2.gz KKEGBHZXOVAFMZ-UHFFFAOYSA-N 2 1 317.433 1.433 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)C3)cc2)CC1 ZINC001140301959 860615248 /nfs/dbraw/zinc/61/52/48/860615248.db2.gz FUYUMUIQYIWPPX-GOSISDBHSA-N 2 1 303.450 1.785 20 10 DDCDMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001321757209 867774087 /nfs/dbraw/zinc/77/40/87/867774087.db2.gz YIFONNKZBXSEFY-OAHLLOKOSA-N 2 1 321.465 1.938 20 10 DDCDMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205249676 871460038 /nfs/dbraw/zinc/46/00/38/871460038.db2.gz YOWMYHDYINOWRA-AWEZNQCLSA-N 2 1 302.777 1.860 20 10 DDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205249676 871460042 /nfs/dbraw/zinc/46/00/42/871460042.db2.gz YOWMYHDYINOWRA-AWEZNQCLSA-N 2 1 302.777 1.860 20 10 DDCDMP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205726902 871757150 /nfs/dbraw/zinc/75/71/50/871757150.db2.gz ZPUPYUSVMXLMJH-HNNXBMFYSA-N 2 1 314.813 1.730 20 10 DDCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205726902 871757160 /nfs/dbraw/zinc/75/71/60/871757160.db2.gz ZPUPYUSVMXLMJH-HNNXBMFYSA-N 2 1 314.813 1.730 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@@H]1F ZINC001206185662 872118882 /nfs/dbraw/zinc/11/88/82/872118882.db2.gz OQTMRPCGMLNSSW-HOTGVXAUSA-N 2 1 322.428 1.063 20 10 DDCDMP N[C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@@H]1F ZINC001206185662 872118886 /nfs/dbraw/zinc/11/88/86/872118886.db2.gz OQTMRPCGMLNSSW-HOTGVXAUSA-N 2 1 322.428 1.063 20 10 DDCDMP N[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@@H]1F ZINC001206185662 872118893 /nfs/dbraw/zinc/11/88/93/872118893.db2.gz OQTMRPCGMLNSSW-HOTGVXAUSA-N 2 1 322.428 1.063 20 10 DDCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085664 880230721 /nfs/dbraw/zinc/23/07/21/880230721.db2.gz HFZYKZPMZLQAOM-UHFFFAOYSA-N 2 1 314.477 1.814 20 10 DDCDMP COc1cc(N(C)C)ccc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001231854660 885907102 /nfs/dbraw/zinc/90/71/02/885907102.db2.gz KADQFKHNQKHSAS-UHFFFAOYSA-N 2 1 320.481 1.440 20 10 DDCDMP CC(C)(C)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234986347 888303242 /nfs/dbraw/zinc/30/32/42/888303242.db2.gz APOSRKGOTJACGN-SFHVURJKSA-N 2 1 303.450 1.827 20 10 DDCDMP CCN(CC)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234989758 888310726 /nfs/dbraw/zinc/31/07/26/888310726.db2.gz SSRQUYPRFQXVIG-GOSISDBHSA-N 2 1 318.465 1.376 20 10 DDCDMP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(O)cc3O)C[C@H]1C[NH2+]CC2 ZINC001236038848 889073511 /nfs/dbraw/zinc/07/35/11/889073511.db2.gz OYLFRDMBZXCTQT-CXAGYDPISA-N 2 1 320.389 1.072 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CO)c(F)c2)CC1 ZINC001236932118 889427442 /nfs/dbraw/zinc/42/74/42/889427442.db2.gz NWVJULXXPOWQAN-QGZVFWFLSA-N 2 1 321.440 1.924 20 10 DDCDMP Cc1ccc(O)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000093821325 407202817 /nfs/dbraw/zinc/20/28/17/407202817.db2.gz OMRFXKJPBMQXHU-MRXNPFEDSA-N 2 1 317.433 1.439 20 10 DDCDMP Cc1ccc(O)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000093821325 407202818 /nfs/dbraw/zinc/20/28/18/407202818.db2.gz OMRFXKJPBMQXHU-MRXNPFEDSA-N 2 1 317.433 1.439 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000368539821 418721433 /nfs/dbraw/zinc/72/14/33/418721433.db2.gz VOGAVWFZJDIIHZ-GUTXKFCHSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000368539821 418721435 /nfs/dbraw/zinc/72/14/35/418721435.db2.gz VOGAVWFZJDIIHZ-GUTXKFCHSA-N 2 1 306.406 1.915 20 10 DDCDMP CC[N@@H+](CCOCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800532248 700231159 /nfs/dbraw/zinc/23/11/59/700231159.db2.gz SYRCLYGQYLNOTI-UHFFFAOYSA-N 2 1 321.465 1.269 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CC[NH+](C)CC1 ZINC000768449335 701178080 /nfs/dbraw/zinc/17/80/80/701178080.db2.gz GJFPKIROAWFLLT-MRXNPFEDSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466408 701180261 /nfs/dbraw/zinc/18/02/61/701180261.db2.gz PWLRGICMPXIVIQ-WBMJQRKESA-N 2 1 306.406 1.592 20 10 DDCDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466408 701180265 /nfs/dbraw/zinc/18/02/65/701180265.db2.gz PWLRGICMPXIVIQ-WBMJQRKESA-N 2 1 306.406 1.592 20 10 DDCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466408 701180267 /nfs/dbraw/zinc/18/02/67/701180267.db2.gz PWLRGICMPXIVIQ-WBMJQRKESA-N 2 1 306.406 1.592 20 10 DDCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466408 701180270 /nfs/dbraw/zinc/18/02/70/701180270.db2.gz PWLRGICMPXIVIQ-WBMJQRKESA-N 2 1 306.406 1.592 20 10 DDCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466408 701180273 /nfs/dbraw/zinc/18/02/73/701180273.db2.gz PWLRGICMPXIVIQ-WBMJQRKESA-N 2 1 306.406 1.592 20 10 DDCDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466661 701180414 /nfs/dbraw/zinc/18/04/14/701180414.db2.gz UBMJCFSOXWVHKK-CXAGYDPISA-N 2 1 320.433 1.982 20 10 DDCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466661 701180416 /nfs/dbraw/zinc/18/04/16/701180416.db2.gz UBMJCFSOXWVHKK-CXAGYDPISA-N 2 1 320.433 1.982 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNCCC[NH2+]C3CC3)cc2)CC1 ZINC000841091618 702342596 /nfs/dbraw/zinc/34/25/96/702342596.db2.gz BXVQMEZQRWDFGN-UHFFFAOYSA-N 2 1 302.466 1.670 20 10 DDCDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943881 702531082 /nfs/dbraw/zinc/53/10/82/702531082.db2.gz WIUKRQXWNHWRAK-JEBQAFNWSA-N 2 1 302.466 1.825 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000843046816 702807922 /nfs/dbraw/zinc/80/79/22/702807922.db2.gz DGDHCXCVBRKXEZ-UHFFFAOYSA-N 2 1 318.465 1.396 20 10 DDCDMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1O ZINC000843358707 702866327 /nfs/dbraw/zinc/86/63/27/702866327.db2.gz XWNWKZPTUYWKJT-UHFFFAOYSA-N 2 1 305.422 1.426 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000844224340 702996763 /nfs/dbraw/zinc/99/67/63/702996763.db2.gz PAADBDBHYVMVGK-KRWDZBQOSA-N 2 1 318.465 1.572 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000844224340 702996765 /nfs/dbraw/zinc/99/67/65/702996765.db2.gz PAADBDBHYVMVGK-KRWDZBQOSA-N 2 1 318.465 1.572 20 10 DDCDMP CCO[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1C[NH3+] ZINC000844903647 703082529 /nfs/dbraw/zinc/08/25/29/703082529.db2.gz JAYIAOPGILMYAD-MLGOLLRUSA-N 2 1 310.394 1.205 20 10 DDCDMP CN1CCCc2cc(C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)ccc21 ZINC000818985659 704043264 /nfs/dbraw/zinc/04/32/64/704043264.db2.gz XVCJSZCBBFVHGS-QGZVFWFLSA-N 2 1 303.450 1.614 20 10 DDCDMP CN1CCCc2cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)ccc21 ZINC000818985659 704043267 /nfs/dbraw/zinc/04/32/67/704043267.db2.gz XVCJSZCBBFVHGS-QGZVFWFLSA-N 2 1 303.450 1.614 20 10 DDCDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273006 706882749 /nfs/dbraw/zinc/88/27/49/706882749.db2.gz LDPCDPZPDOIRKF-SJORKVTESA-N 2 1 318.465 1.743 20 10 DDCDMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892724043 710487934 /nfs/dbraw/zinc/48/79/34/710487934.db2.gz OEFUODZXMPVADE-UHFFFAOYSA-N 2 1 324.421 1.610 20 10 DDCDMP COc1cc(C)cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000894660875 711231389 /nfs/dbraw/zinc/23/13/89/711231389.db2.gz UPCRBCAKJKBHQB-UHFFFAOYSA-N 2 1 321.465 1.825 20 10 DDCDMP Cc1cc(C[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)ccc1N(C)C ZINC000923411059 714347340 /nfs/dbraw/zinc/34/73/40/714347340.db2.gz MNYMFXFWBTVTGG-INIZCTEOSA-N 2 1 314.437 1.558 20 10 DDCDMP COCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001323474966 866632670 /nfs/dbraw/zinc/63/26/70/866632670.db2.gz FNHZSOYUZGMDMU-UHFFFAOYSA-N 2 1 307.413 1.846 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3(CO)CCCC3)cc2F)CC1 ZINC001323514561 866655741 /nfs/dbraw/zinc/65/57/41/866655741.db2.gz JWJJVYUPWFMBDV-UHFFFAOYSA-N 2 1 321.440 1.972 20 10 DDCDMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3O)CC[C@@H]2C1 ZINC001203552903 870635985 /nfs/dbraw/zinc/63/59/85/870635985.db2.gz VEEPMZZWAJJBKO-SJLPKXTDSA-N 2 1 320.433 1.561 20 10 DDCDMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]2C1 ZINC001203552903 870636001 /nfs/dbraw/zinc/63/60/01/870636001.db2.gz VEEPMZZWAJJBKO-SJLPKXTDSA-N 2 1 320.433 1.561 20 10 DDCDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]2C1 ZINC001203552903 870636016 /nfs/dbraw/zinc/63/60/16/870636016.db2.gz VEEPMZZWAJJBKO-SJLPKXTDSA-N 2 1 320.433 1.561 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNC[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC001345100965 873256223 /nfs/dbraw/zinc/25/62/23/873256223.db2.gz XILMGGAOUCWJGA-HNNXBMFYSA-N 2 1 306.429 1.419 20 10 DDCDMP COc1cc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1Cl ZINC001234988533 888309905 /nfs/dbraw/zinc/30/99/05/888309905.db2.gz MNRNNTCUOFOLHK-HNNXBMFYSA-N 2 1 311.813 1.192 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991350 888313469 /nfs/dbraw/zinc/31/34/69/888313469.db2.gz FGTMAKNCCFJIJQ-IBGZPJMESA-N 3 1 314.477 1.672 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991350 888313478 /nfs/dbraw/zinc/31/34/78/888313478.db2.gz FGTMAKNCCFJIJQ-IBGZPJMESA-N 2 1 314.477 1.672 20 10 DDCDMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1O ZINC000186171661 407594331 /nfs/dbraw/zinc/59/43/31/407594331.db2.gz DWGCJXOSYHWCGD-HNNXBMFYSA-N 2 1 305.422 1.597 20 10 DDCDMP COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775655798 698019586 /nfs/dbraw/zinc/01/95/86/698019586.db2.gz LKTMMXUPUJNQRO-OAHLLOKOSA-N 2 1 319.449 1.679 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCCO)C3CC3)cc2)CC1 ZINC000775701367 698024360 /nfs/dbraw/zinc/02/43/60/698024360.db2.gz LDIWTDFQIRKNSM-UHFFFAOYSA-N 2 1 303.450 1.785 20 10 DDCDMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775986928 698058226 /nfs/dbraw/zinc/05/82/26/698058226.db2.gz SUAIXFMYVVIDND-DLBZAZTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775986928 698058230 /nfs/dbraw/zinc/05/82/30/698058230.db2.gz SUAIXFMYVVIDND-DLBZAZTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775986928 698058231 /nfs/dbraw/zinc/05/82/31/698058231.db2.gz SUAIXFMYVVIDND-DLBZAZTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CCO)cc2)CC1 ZINC000779202426 698401461 /nfs/dbraw/zinc/40/14/61/698401461.db2.gz OLEAHBYSDNDIIJ-QGZVFWFLSA-N 2 1 303.450 1.785 20 10 DDCDMP C[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000742207453 699867290 /nfs/dbraw/zinc/86/72/90/699867290.db2.gz ZSSZQIQFSSEUGF-UHFFFAOYSA-N 2 1 307.413 1.846 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000841083349 702339276 /nfs/dbraw/zinc/33/92/76/702339276.db2.gz BRQAFWTWZNMCOI-DLBZAZTESA-N 2 1 302.466 1.655 20 10 DDCDMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)nn1 ZINC000841100385 702346549 /nfs/dbraw/zinc/34/65/49/702346549.db2.gz XCZQGZLJZYAZQP-AWEZNQCLSA-N 2 1 305.357 1.419 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000817941842 702531469 /nfs/dbraw/zinc/53/14/69/702531469.db2.gz LCJLEPMBNONYNW-KBAYOESNSA-N 2 1 302.466 1.969 20 10 DDCDMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(N2CCOCC2)cc1 ZINC000844220680 702995310 /nfs/dbraw/zinc/99/53/10/702995310.db2.gz JOVBUOSPXYTUOD-MRXNPFEDSA-N 2 1 303.450 1.955 20 10 DDCDMP CCOc1cccc(C[NH+]2CCC([NH2+]CCOC)CC2)c1O ZINC000844900322 703082284 /nfs/dbraw/zinc/08/22/84/703082284.db2.gz NDBBETMAIAMYIG-UHFFFAOYSA-N 2 1 308.422 1.991 20 10 DDCDMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000854230950 704369076 /nfs/dbraw/zinc/36/90/76/704369076.db2.gz DZYYUQDVJDYONS-LLVKDONJSA-N 2 1 301.394 1.558 20 10 DDCDMP CC[C@@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001201017344 748389691 /nfs/dbraw/zinc/38/96/91/748389691.db2.gz FLMVGQBHLDFRFR-OAHLLOKOSA-N 2 1 309.429 1.828 20 10 DDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001205210888 750529509 /nfs/dbraw/zinc/52/95/09/750529509.db2.gz SKQBXMJJVLDLLV-GOSISDBHSA-N 2 1 303.450 1.963 20 10 DDCDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001148642793 773545343 /nfs/dbraw/zinc/54/53/43/773545343.db2.gz NREYRDRXTFSLGY-UHFFFAOYSA-N 2 1 307.438 1.551 20 10 DDCDMP CC[NH2+][C@H](C)CNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117953355 780961174 /nfs/dbraw/zinc/96/11/74/780961174.db2.gz FJCNDJXXWQGPPP-CQSZACIVSA-N 2 1 308.445 1.665 20 10 DDCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206632883 862144362 /nfs/dbraw/zinc/14/43/62/862144362.db2.gz PYWNPIMZLOESLB-OAHLLOKOSA-N 3 1 318.465 1.363 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)[C@@H](F)C3)cc2)CC1 ZINC001139408323 860389786 /nfs/dbraw/zinc/38/97/86/860389786.db2.gz KDCTYSQOKZBFGH-ZWKOTPCHSA-N 2 1 321.440 1.733 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)[C@@H](F)C3)cc2)CC1 ZINC001139408323 860389796 /nfs/dbraw/zinc/38/97/96/860389796.db2.gz KDCTYSQOKZBFGH-ZWKOTPCHSA-N 2 1 321.440 1.733 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](OC)[C@@H](F)C3)cc2)CC1 ZINC001140302055 860614850 /nfs/dbraw/zinc/61/48/50/860614850.db2.gz IZCWFOFKQQQHAJ-ZWKOTPCHSA-N 2 1 321.440 1.997 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](OC)[C@@H](F)C3)cc2)CC1 ZINC001140302055 860614852 /nfs/dbraw/zinc/61/48/52/860614852.db2.gz IZCWFOFKQQQHAJ-ZWKOTPCHSA-N 2 1 321.440 1.997 20 10 DDCDMP CCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161134620 866395951 /nfs/dbraw/zinc/39/59/51/866395951.db2.gz GDNBSZNWFSJDJS-UHFFFAOYSA-N 2 1 318.465 1.443 20 10 DDCDMP C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320060143 866451711 /nfs/dbraw/zinc/45/17/11/866451711.db2.gz LSQMKSNRGFFLKG-HOCLYGCPSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320060143 866451714 /nfs/dbraw/zinc/45/17/14/866451714.db2.gz LSQMKSNRGFFLKG-HOCLYGCPSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1O ZINC001321504959 867635164 /nfs/dbraw/zinc/63/51/64/867635164.db2.gz OLJJORFPAMNIEK-KDOFPFPSSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1O ZINC001321504959 867635170 /nfs/dbraw/zinc/63/51/70/867635170.db2.gz OLJJORFPAMNIEK-KDOFPFPSSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205901742 871913643 /nfs/dbraw/zinc/91/36/43/871913643.db2.gz FWPLHAPUIPIORT-RDJZCZTQSA-N 3 1 302.466 1.655 20 10 DDCDMP COc1ccc2ccc(O)c(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206530261 872416253 /nfs/dbraw/zinc/41/62/53/872416253.db2.gz FMYSPYQATDYZBH-SJCJKPOMSA-N 2 1 302.374 1.305 20 10 DDCDMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001206808746 872610914 /nfs/dbraw/zinc/61/09/14/872610914.db2.gz KFHXYVRKTKXEPK-OLZOCXBDSA-N 3 1 305.422 1.433 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1Cl ZINC001222099395 880249659 /nfs/dbraw/zinc/24/96/59/880249659.db2.gz FDRWVPGXHQDXRW-UHFFFAOYSA-N 2 1 309.841 1.881 20 10 DDCDMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235774548 888939360 /nfs/dbraw/zinc/93/93/60/888939360.db2.gz BGZCDFIAOGFIIF-ZXFUBFMLSA-N 3 1 316.449 1.256 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237224815 889554488 /nfs/dbraw/zinc/55/44/88/889554488.db2.gz JAJTWACNNCNHHJ-LJQANCHMSA-N 2 1 312.461 1.938 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237224815 889554493 /nfs/dbraw/zinc/55/44/93/889554493.db2.gz JAJTWACNNCNHHJ-LJQANCHMSA-N 2 1 312.461 1.938 20 10 DDCDMP COc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367472467 418604518 /nfs/dbraw/zinc/60/45/18/418604518.db2.gz MKZZUMQSIZLKSZ-MRXNPFEDSA-N 2 1 319.449 1.613 20 10 DDCDMP COc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367472467 418604521 /nfs/dbraw/zinc/60/45/21/418604521.db2.gz MKZZUMQSIZLKSZ-MRXNPFEDSA-N 2 1 319.449 1.613 20 10 DDCDMP Cc1ccc(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000371419121 418790144 /nfs/dbraw/zinc/79/01/44/418790144.db2.gz JHBJQCQQTSOSMJ-KRWDZBQOSA-N 2 1 303.450 1.912 20 10 DDCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179633719 697439899 /nfs/dbraw/zinc/43/98/99/697439899.db2.gz GNEUNIFOZJKWLO-QGZVFWFLSA-N 2 1 303.450 1.907 20 10 DDCDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775687404 698023109 /nfs/dbraw/zinc/02/31/09/698023109.db2.gz YZYGXTDLIKDDGI-KRWDZBQOSA-N 2 1 316.493 1.964 20 10 DDCDMP CCN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775687404 698023116 /nfs/dbraw/zinc/02/31/16/698023116.db2.gz YZYGXTDLIKDDGI-KRWDZBQOSA-N 2 1 316.493 1.964 20 10 DDCDMP CCN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775687404 698023119 /nfs/dbraw/zinc/02/31/19/698023119.db2.gz YZYGXTDLIKDDGI-KRWDZBQOSA-N 2 1 316.493 1.964 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CN1C ZINC000775986931 698058057 /nfs/dbraw/zinc/05/80/57/698058057.db2.gz SUAIXFMYVVIDND-IRXDYDNUSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775986931 698058062 /nfs/dbraw/zinc/05/80/62/698058062.db2.gz SUAIXFMYVVIDND-IRXDYDNUSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775986931 698058067 /nfs/dbraw/zinc/05/80/67/698058067.db2.gz SUAIXFMYVVIDND-IRXDYDNUSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1O ZINC000779199928 698401347 /nfs/dbraw/zinc/40/13/47/698401347.db2.gz NCGJSCGSJHDSIU-CRAIPNDOSA-N 2 1 303.450 1.641 20 10 DDCDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)ccc1O ZINC000756551630 700627488 /nfs/dbraw/zinc/62/74/88/700627488.db2.gz VYMNABGMMPMYMK-QWHCGFSZSA-N 2 1 323.412 1.769 20 10 DDCDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466662 701180504 /nfs/dbraw/zinc/18/05/04/701180504.db2.gz UBMJCFSOXWVHKK-DYVFJYSZSA-N 2 1 320.433 1.982 20 10 DDCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466662 701180505 /nfs/dbraw/zinc/18/05/05/701180505.db2.gz UBMJCFSOXWVHKK-DYVFJYSZSA-N 2 1 320.433 1.982 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843121005 702823627 /nfs/dbraw/zinc/82/36/27/702823627.db2.gz YKXPESRWLCVDQN-IBGZPJMESA-N 3 1 314.477 1.624 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843121005 702823629 /nfs/dbraw/zinc/82/36/29/702823629.db2.gz YKXPESRWLCVDQN-IBGZPJMESA-N 2 1 314.477 1.624 20 10 DDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844221160 702995716 /nfs/dbraw/zinc/99/57/16/702995716.db2.gz IVUHNNTWCQXFQF-UKRRQHHQSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844221160 702995718 /nfs/dbraw/zinc/99/57/18/702995718.db2.gz IVUHNNTWCQXFQF-UKRRQHHQSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846699620 703320260 /nfs/dbraw/zinc/32/02/60/703320260.db2.gz VIFVRKYSIDLONJ-DZGCQCFKSA-N 2 1 307.413 1.974 20 10 DDCDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846699620 703320262 /nfs/dbraw/zinc/32/02/62/703320262.db2.gz VIFVRKYSIDLONJ-DZGCQCFKSA-N 2 1 307.413 1.974 20 10 DDCDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccccc1O ZINC000853570469 704272977 /nfs/dbraw/zinc/27/29/77/704272977.db2.gz PNYAZSAPUGZMLJ-AWEZNQCLSA-N 2 1 322.453 1.463 20 10 DDCDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccccc1O ZINC000853570469 704272978 /nfs/dbraw/zinc/27/29/78/704272978.db2.gz PNYAZSAPUGZMLJ-AWEZNQCLSA-N 2 1 322.453 1.463 20 10 DDCDMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000857229956 704566745 /nfs/dbraw/zinc/56/67/45/704566745.db2.gz LWKWCBKZXUTXKS-SJLPKXTDSA-N 2 1 301.434 1.836 20 10 DDCDMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000857229956 704566746 /nfs/dbraw/zinc/56/67/46/704566746.db2.gz LWKWCBKZXUTXKS-SJLPKXTDSA-N 2 1 301.434 1.836 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1OC ZINC000872724416 707572447 /nfs/dbraw/zinc/57/24/47/707572447.db2.gz UEGNGGPUKAXRFD-OCCSQVGLSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1OC ZINC000872724416 707572453 /nfs/dbraw/zinc/57/24/53/707572453.db2.gz UEGNGGPUKAXRFD-OCCSQVGLSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1OC ZINC000872724416 707572458 /nfs/dbraw/zinc/57/24/58/707572458.db2.gz UEGNGGPUKAXRFD-OCCSQVGLSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1OC ZINC000872724416 707572464 /nfs/dbraw/zinc/57/24/64/707572464.db2.gz UEGNGGPUKAXRFD-OCCSQVGLSA-N 2 1 306.406 1.935 20 10 DDCDMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251903 710142497 /nfs/dbraw/zinc/14/24/97/710142497.db2.gz HYQRANAWNJOGOC-KRWDZBQOSA-N 2 1 320.481 1.813 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c(O)cccc1OC)C2 ZINC000903979091 711356724 /nfs/dbraw/zinc/35/67/24/711356724.db2.gz VHNBGZQZUSDRAM-JKDFXYPNSA-N 2 1 320.389 1.113 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2F)CC1 ZINC001117953686 780961294 /nfs/dbraw/zinc/96/12/94/780961294.db2.gz LQQQVWKRANTQTP-OAHLLOKOSA-N 3 1 320.456 1.667 20 10 DDCDMP CN(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)cc1 ZINC001275833363 853838097 /nfs/dbraw/zinc/83/80/97/853838097.db2.gz HXWPGTZTBYZXKL-KDURUIRLSA-N 2 1 316.493 1.963 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256288 860339066 /nfs/dbraw/zinc/33/90/66/860339066.db2.gz XYNYXMUDYGJELD-IUODEOHRSA-N 2 1 308.422 1.665 20 10 DDCDMP CC[C@]1(O)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325903511 860943395 /nfs/dbraw/zinc/94/33/95/860943395.db2.gz ONPYNHZHAFEJHR-SFHVURJKSA-N 2 1 321.440 1.924 20 10 DDCDMP CC[C@]1(O)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325903511 860943402 /nfs/dbraw/zinc/94/34/02/860943402.db2.gz ONPYNHZHAFEJHR-SFHVURJKSA-N 2 1 321.440 1.924 20 10 DDCDMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235926297 889018746 /nfs/dbraw/zinc/01/87/46/889018746.db2.gz WUHSHTKNXNDJQF-HNNXBMFYSA-N 3 1 304.438 1.115 20 10 DDCDMP CCOC(=O)[C@]12C[N@H+](Cc3cc(F)ccc3O)C[C@H]1C[NH2+]CC2 ZINC001236037624 889069076 /nfs/dbraw/zinc/06/90/76/889069076.db2.gz APMQDHWIYAVXGH-CXAGYDPISA-N 2 1 322.380 1.506 20 10 DDCDMP CCOC(=O)[C@]12C[N@@H+](Cc3cc(F)ccc3O)C[C@H]1C[NH2+]CC2 ZINC001236037624 889069084 /nfs/dbraw/zinc/06/90/84/889069084.db2.gz APMQDHWIYAVXGH-CXAGYDPISA-N 2 1 322.380 1.506 20 10 DDCDMP CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236130276 889111671 /nfs/dbraw/zinc/11/16/71/889111671.db2.gz AGAXHNVLLFZIDQ-GOSISDBHSA-N 2 1 302.466 1.670 20 10 DDCDMP CCC[C@@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236130276 889111676 /nfs/dbraw/zinc/11/16/76/889111676.db2.gz AGAXHNVLLFZIDQ-GOSISDBHSA-N 2 1 302.466 1.670 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@@H]1O ZINC001236935229 889429480 /nfs/dbraw/zinc/42/94/80/889429480.db2.gz GRGZSSIMHBEFEB-GUYCJALGSA-N 2 1 307.413 1.390 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246174340 892461703 /nfs/dbraw/zinc/46/17/03/892461703.db2.gz OWYYIPBRLRRRDZ-FVQHAEBGSA-N 2 1 300.450 1.469 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000841083353 702339667 /nfs/dbraw/zinc/33/96/67/702339667.db2.gz BRQAFWTWZNMCOI-IRXDYDNUSA-N 2 1 302.466 1.655 20 10 DDCDMP Cc1ccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1 ZINC000877008058 705957214 /nfs/dbraw/zinc/95/72/14/705957214.db2.gz FBXNHSRKNJSZRS-UHFFFAOYSA-N 2 1 319.449 1.733 20 10 DDCDMP COc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c(O)c1OC ZINC000893603141 710738093 /nfs/dbraw/zinc/73/80/93/710738093.db2.gz SAJUFMDHJKEJQP-UHFFFAOYSA-N 2 1 324.421 1.346 20 10 DDCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CO1 ZINC001326492389 861405384 /nfs/dbraw/zinc/40/53/84/861405384.db2.gz ZDCISTLVFLUUTN-UKRRQHHQSA-N 2 1 307.413 1.845 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC001139408016 860389848 /nfs/dbraw/zinc/38/98/48/860389848.db2.gz ILAAEHWSHJGSPH-MSOLQXFVSA-N 2 1 315.461 1.907 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@H](O)C3)cc2)CC1 ZINC001140302309 860615067 /nfs/dbraw/zinc/61/50/67/860615067.db2.gz NCKQAYQTTHXOJX-QZTJIDSGSA-N 2 1 321.440 1.733 20 10 DDCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)O ZINC001334345025 867503913 /nfs/dbraw/zinc/50/39/13/867503913.db2.gz ISKPQYDEYASCFW-ZDUSSCGKSA-N 2 1 309.429 1.827 20 10 DDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205219448 871437175 /nfs/dbraw/zinc/43/71/75/871437175.db2.gz DGCZPWKFUVKPSP-SFHVURJKSA-N 2 1 319.449 1.199 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(O)c1 ZINC001205591339 871646679 /nfs/dbraw/zinc/64/66/79/871646679.db2.gz KRWUJCNQOIXIDL-QGZVFWFLSA-N 2 1 324.396 1.761 20 10 DDCDMP CCOC(=O)[C@]12C[N@@H+](Cc3cc(O)ccc3O)C[C@H]1C[NH2+]CC2 ZINC001236037649 889068637 /nfs/dbraw/zinc/06/86/37/889068637.db2.gz AWKHZFNESKPPHQ-CXAGYDPISA-N 2 1 320.389 1.072 20 10 DDCDMP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001265758797 902374061 /nfs/dbraw/zinc/37/40/61/902374061.db2.gz KCCHLFZBTFKXSQ-GDBMZVCRSA-N 2 1 319.449 1.692 20 10 DDCDMP C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000780784049 698559254 /nfs/dbraw/zinc/55/92/54/698559254.db2.gz DZPYGPNFJBETFZ-RDJZCZTQSA-N 2 1 303.450 1.641 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]3(C)CO)cc2)CC1 ZINC000789557598 699395597 /nfs/dbraw/zinc/39/55/97/699395597.db2.gz LCVBAAHWFDWSTN-GOSISDBHSA-N 2 1 303.450 1.785 20 10 DDCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000756549481 700627066 /nfs/dbraw/zinc/62/70/66/700627066.db2.gz NRPIENMNNWFPPB-LSDHHAIUSA-N 2 1 319.449 1.939 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841035727 702317170 /nfs/dbraw/zinc/31/71/70/702317170.db2.gz HSXGUQVDVIWDGW-KRWDZBQOSA-N 2 1 302.466 1.528 20 10 DDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843048299 702808073 /nfs/dbraw/zinc/80/80/73/702808073.db2.gz XUCSXHYTCBPGLI-INIZCTEOSA-N 2 1 318.465 1.348 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843057091 702809497 /nfs/dbraw/zinc/80/94/97/702809497.db2.gz GGJWSROTKLISLC-NVXWUHKLSA-N 3 1 302.466 1.608 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843057091 702809498 /nfs/dbraw/zinc/80/94/98/702809498.db2.gz GGJWSROTKLISLC-NVXWUHKLSA-N 2 1 302.466 1.608 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843057091 702809503 /nfs/dbraw/zinc/80/95/03/702809503.db2.gz GGJWSROTKLISLC-NVXWUHKLSA-N 2 1 302.466 1.608 20 10 DDCDMP COc1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000843119639 702823141 /nfs/dbraw/zinc/82/31/41/702823141.db2.gz XWJVRJZLJAOXNG-AWEZNQCLSA-N 2 1 307.413 1.956 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844219640 702995119 /nfs/dbraw/zinc/99/51/19/702995119.db2.gz NDYLKIDSBKVUJR-HOCLYGCPSA-N 2 1 318.465 1.428 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844219640 702995120 /nfs/dbraw/zinc/99/51/20/702995120.db2.gz NDYLKIDSBKVUJR-HOCLYGCPSA-N 2 1 318.465 1.428 20 10 DDCDMP Cc1cc(C)c(O)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000844714125 703061474 /nfs/dbraw/zinc/06/14/74/703061474.db2.gz JPDKQUAVJFUGPI-UHFFFAOYSA-N 2 1 305.422 1.215 20 10 DDCDMP Cc1cc(C)c(O)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000844714125 703061475 /nfs/dbraw/zinc/06/14/75/703061475.db2.gz JPDKQUAVJFUGPI-UHFFFAOYSA-N 2 1 305.422 1.215 20 10 DDCDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846699624 703320280 /nfs/dbraw/zinc/32/02/80/703320280.db2.gz VIFVRKYSIDLONJ-UKRRQHHQSA-N 2 1 307.413 1.974 20 10 DDCDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846699624 703320281 /nfs/dbraw/zinc/32/02/81/703320281.db2.gz VIFVRKYSIDLONJ-UKRRQHHQSA-N 2 1 307.413 1.974 20 10 DDCDMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850246952 703717099 /nfs/dbraw/zinc/71/70/99/703717099.db2.gz NBVWXSUFRQYSCD-SFHVURJKSA-N 2 1 322.449 1.855 20 10 DDCDMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850246952 703717101 /nfs/dbraw/zinc/71/71/01/703717101.db2.gz NBVWXSUFRQYSCD-SFHVURJKSA-N 2 1 322.449 1.855 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@]1(CO)CCOC1 ZINC000862426783 705716188 /nfs/dbraw/zinc/71/61/88/705716188.db2.gz OHOCKBKJHCLKQY-SFHVURJKSA-N 2 1 319.449 1.022 20 10 DDCDMP O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)C[NH+]1CCCC1 ZINC000863552792 705955794 /nfs/dbraw/zinc/95/57/94/705955794.db2.gz PWWPEMVLFBZNRZ-SFHVURJKSA-N 2 1 301.434 1.609 20 10 DDCDMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873229045 707778210 /nfs/dbraw/zinc/77/82/10/707778210.db2.gz YZZTZUHKSQBQSD-WDEREUQCSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873229045 707778214 /nfs/dbraw/zinc/77/82/14/707778214.db2.gz YZZTZUHKSQBQSD-WDEREUQCSA-N 2 1 304.312 1.970 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326232933 861217668 /nfs/dbraw/zinc/21/76/68/861217668.db2.gz UGHATQCCATWMTH-HOCLYGCPSA-N 3 1 320.456 1.747 20 10 DDCDMP COc1ccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c(O)c1 ZINC001275276443 852945177 /nfs/dbraw/zinc/94/51/77/852945177.db2.gz ZFMPFIHJNOPCJO-UHFFFAOYSA-N 2 1 305.422 1.223 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3O)cc2F)CC1 ZINC001325879274 860916480 /nfs/dbraw/zinc/91/64/80/860916480.db2.gz HVCKCIAMBHRKSF-WMZOPIPTSA-N 2 1 321.440 1.971 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)cc2F)CC1 ZINC001329658635 863776329 /nfs/dbraw/zinc/77/63/29/863776329.db2.gz GMJUZOAWHOHJKE-KYJSFNMBSA-N 2 1 319.424 1.987 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c(OC)c1 ZINC001205247197 871456425 /nfs/dbraw/zinc/45/64/25/871456425.db2.gz CWBCSZPJXYEHPJ-MRXNPFEDSA-N 2 1 310.394 1.085 20 10 DDCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205912541 871922861 /nfs/dbraw/zinc/92/28/61/871922861.db2.gz AZSPGNBISRBUKP-QWHCGFSZSA-N 3 1 305.422 1.433 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623405 880606158 /nfs/dbraw/zinc/60/61/58/880606158.db2.gz HZPNHQQGTKCDDR-HDICACEKSA-N 3 1 314.477 1.528 20 10 DDCDMP CC[NH+](CC)CCN1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482174 887013725 /nfs/dbraw/zinc/01/37/25/887013725.db2.gz CNPHVKBHUKPPBH-UHFFFAOYSA-N 2 1 323.437 1.263 20 10 DDCDMP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C)cc3O)C[C@H]1C[NH2+]CC2 ZINC001236039599 889071990 /nfs/dbraw/zinc/07/19/90/889071990.db2.gz VPXWWVVGPCVIHO-CRAIPNDOSA-N 2 1 318.417 1.675 20 10 DDCDMP C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940314 889434790 /nfs/dbraw/zinc/43/47/90/889434790.db2.gz ZLFMXYGILXHQDM-YOEHRIQHSA-N 2 1 321.440 1.923 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000841031741 702317022 /nfs/dbraw/zinc/31/70/22/702317022.db2.gz WJSHGWIJBLBSLD-FUHWJXTLSA-N 2 1 302.466 1.655 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122773 702824375 /nfs/dbraw/zinc/82/43/75/702824375.db2.gz ULHLNIXYGSEUMU-KRWDZBQOSA-N 2 1 318.465 1.572 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000843125216 702824969 /nfs/dbraw/zinc/82/49/69/702824969.db2.gz OGKTZGFLKMVGOH-AWEZNQCLSA-N 2 1 306.406 1.588 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001147885308 773269901 /nfs/dbraw/zinc/26/99/01/773269901.db2.gz LQHUCHKZPRQFIW-MRXNPFEDSA-N 2 1 319.449 1.551 20 10 DDCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001275821569 853818198 /nfs/dbraw/zinc/81/81/98/853818198.db2.gz UOXWMOHNPCVANI-LSDHHAIUSA-N 2 1 305.422 1.166 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)cc1C ZINC001151121350 862637478 /nfs/dbraw/zinc/63/74/78/862637478.db2.gz GDGNBTXUYJUDRZ-UHFFFAOYSA-N 2 1 316.405 1.415 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001276358868 855714643 /nfs/dbraw/zinc/71/46/43/855714643.db2.gz CQMGJDVYLSLXLK-HOTGVXAUSA-N 2 1 307.413 1.742 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001276358868 855714645 /nfs/dbraw/zinc/71/46/45/855714645.db2.gz CQMGJDVYLSLXLK-HOTGVXAUSA-N 2 1 307.413 1.742 20 10 DDCDMP CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139411707 860390434 /nfs/dbraw/zinc/39/04/34/860390434.db2.gz ZTJHPLMWOAHVLR-OALUTQOASA-N 2 1 314.477 1.717 20 10 DDCDMP CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139411707 860390438 /nfs/dbraw/zinc/39/04/38/860390438.db2.gz ZTJHPLMWOAHVLR-OALUTQOASA-N 2 1 314.477 1.717 20 10 DDCDMP CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139411707 860390445 /nfs/dbraw/zinc/39/04/45/860390445.db2.gz ZTJHPLMWOAHVLR-OALUTQOASA-N 2 1 314.477 1.717 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H](O)CC3)cc2)CC1 ZINC001139408335 860390955 /nfs/dbraw/zinc/39/09/55/860390955.db2.gz KHUGJIJXPHXWPY-MSOLQXFVSA-N 2 1 321.440 1.733 20 10 DDCDMP CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001329069110 863456211 /nfs/dbraw/zinc/45/62/11/863456211.db2.gz YTRIZWDJIUKNHB-SHTZXODSSA-N 2 1 307.413 1.845 20 10 DDCDMP C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828558 871839530 /nfs/dbraw/zinc/83/95/30/871839530.db2.gz LWEZHWUYKYERGR-YJBOKZPZSA-N 2 1 302.466 1.655 20 10 DDCDMP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828558 871839549 /nfs/dbraw/zinc/83/95/49/871839549.db2.gz LWEZHWUYKYERGR-YJBOKZPZSA-N 2 1 302.466 1.655 20 10 DDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828558 871839563 /nfs/dbraw/zinc/83/95/63/871839563.db2.gz LWEZHWUYKYERGR-YJBOKZPZSA-N 3 1 302.466 1.655 20 10 DDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828558 871839576 /nfs/dbraw/zinc/83/95/76/871839576.db2.gz LWEZHWUYKYERGR-YJBOKZPZSA-N 3 1 302.466 1.655 20 10 DDCDMP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205844833 871857773 /nfs/dbraw/zinc/85/77/73/871857773.db2.gz YMORCAPIGVAPLJ-YOEHRIQHSA-N 3 1 318.465 1.361 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC[C@H](O)C3)cc2F)CC1 ZINC001343495513 872645756 /nfs/dbraw/zinc/64/57/56/872645756.db2.gz CAQZQSHUWHTWLH-ZBFHGGJFSA-N 2 1 321.440 1.828 20 10 DDCDMP CCOc1ccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c(O)c1 ZINC001276814270 879090064 /nfs/dbraw/zinc/09/00/64/879090064.db2.gz FWHJPAZHHRVTOA-UHFFFAOYSA-N 2 1 319.449 1.613 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](O)C3)c(F)c2)CC1 ZINC001236932507 889430294 /nfs/dbraw/zinc/43/02/94/889430294.db2.gz QETCYOMFYFMPRJ-INIZCTEOSA-N 2 1 307.413 1.534 20 10 DDCDMP CN(C)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1F ZINC000289431488 131385678 /nfs/dbraw/zinc/38/56/78/131385678.db2.gz KUSLZOUIIAQJFX-UHFFFAOYSA-N 2 1 322.472 1.961 20 10 DDCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000185341318 408797239 /nfs/dbraw/zinc/79/72/39/408797239.db2.gz YYKMWXKXOFUILH-AWEZNQCLSA-N 2 1 305.422 1.515 20 10 DDCDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(OC)ccc3O)C2)CC1 ZINC000180069206 521695473 /nfs/dbraw/zinc/69/54/73/521695473.db2.gz QHNZNFJLDCWQMP-INIZCTEOSA-N 2 1 319.449 1.613 20 10 DDCDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1O ZINC000783509339 698845387 /nfs/dbraw/zinc/84/53/87/698845387.db2.gz SOVHTLGPEPHEAJ-ZIAGYGMSSA-N 2 1 305.422 1.630 20 10 DDCDMP CCOc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000809743495 701685067 /nfs/dbraw/zinc/68/50/67/701685067.db2.gz SOOFSCHPJJNVCN-UHFFFAOYSA-N 2 1 321.465 1.860 20 10 DDCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]21 ZINC000768463650 701179633 /nfs/dbraw/zinc/17/96/33/701179633.db2.gz VLDKFMNDIAHZRZ-PVUWLOKVSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]21 ZINC000768463650 701179635 /nfs/dbraw/zinc/17/96/35/701179635.db2.gz VLDKFMNDIAHZRZ-PVUWLOKVSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]21 ZINC000768463650 701179638 /nfs/dbraw/zinc/17/96/38/701179638.db2.gz VLDKFMNDIAHZRZ-PVUWLOKVSA-N 2 1 318.417 1.734 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000841101154 702346871 /nfs/dbraw/zinc/34/68/71/702346871.db2.gz PPQRAWSXZKLOKT-RDJZCZTQSA-N 2 1 303.450 1.940 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843124087 702824627 /nfs/dbraw/zinc/82/46/27/702824627.db2.gz YBSBISBUBBSTIA-HNNXBMFYSA-N 2 1 306.429 1.371 20 10 DDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220773 702995314 /nfs/dbraw/zinc/99/53/14/702995314.db2.gz AVLDCLDBJRWVMS-HOCLYGCPSA-N 2 1 318.465 1.380 20 10 DDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220773 702995317 /nfs/dbraw/zinc/99/53/17/702995317.db2.gz AVLDCLDBJRWVMS-HOCLYGCPSA-N 2 1 318.465 1.380 20 10 DDCDMP CCO[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000844906981 703082922 /nfs/dbraw/zinc/08/29/22/703082922.db2.gz XJCDNYUGGCNIFB-SJLPKXTDSA-N 2 1 319.449 1.319 20 10 DDCDMP COc1c(O)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000848923479 703604069 /nfs/dbraw/zinc/60/40/69/703604069.db2.gz LQDXPBJUORLTFY-KLPPZKSPSA-N 2 1 309.366 1.739 20 10 DDCDMP Cc1cccc(O)c1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000877009305 705957599 /nfs/dbraw/zinc/95/75/99/705957599.db2.gz VTQUPODBVBVSJA-UHFFFAOYSA-N 2 1 319.449 1.733 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1C[NH3+] ZINC000904410297 711854439 /nfs/dbraw/zinc/85/44/39/711854439.db2.gz DPZHOZRSUDHKTO-AEFFLSMTSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C[NH3+] ZINC000904410297 711854440 /nfs/dbraw/zinc/85/44/40/711854440.db2.gz DPZHOZRSUDHKTO-AEFFLSMTSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C[NH3+] ZINC000904410297 711854441 /nfs/dbraw/zinc/85/44/41/711854441.db2.gz DPZHOZRSUDHKTO-AEFFLSMTSA-N 2 1 316.493 1.855 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923320252 714311833 /nfs/dbraw/zinc/31/18/33/714311833.db2.gz WCIRWQHTYBPLMT-SZMVWBNQSA-N 2 1 303.450 1.959 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1C ZINC001133863997 770378393 /nfs/dbraw/zinc/37/83/93/770378393.db2.gz SRYBJTNCSRZFSA-ZBFHGGJFSA-N 2 1 319.449 1.407 20 10 DDCDMP CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118176265 781053302 /nfs/dbraw/zinc/05/33/02/781053302.db2.gz JOMVKRCRYFHWFM-NVXWUHKLSA-N 2 1 323.412 1.081 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CC[C@H]4C3)cc2)CC1 ZINC001139411451 860390695 /nfs/dbraw/zinc/39/06/95/860390695.db2.gz MTJXDFBGABDXFK-SFHVURJKSA-N 2 1 300.450 1.328 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](CO)C3)cc2F)CC1 ZINC001334329281 867490745 /nfs/dbraw/zinc/49/07/45/867490745.db2.gz AYQKUJCTFDLQOK-SHTZXODSSA-N 2 1 307.413 1.438 20 10 DDCDMP C[NH+]1CCC(CN2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001203561279 870641756 /nfs/dbraw/zinc/64/17/56/870641756.db2.gz OXOZUGYBKLSALW-UHFFFAOYSA-N 2 1 303.450 1.852 20 10 DDCDMP NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001204932474 871291811 /nfs/dbraw/zinc/29/18/11/871291811.db2.gz KBPCBWBAQHTUEJ-INIZCTEOSA-N 2 1 304.438 1.115 20 10 DDCDMP NC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001204932474 871291828 /nfs/dbraw/zinc/29/18/28/871291828.db2.gz KBPCBWBAQHTUEJ-INIZCTEOSA-N 2 1 304.438 1.115 20 10 DDCDMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205083726 871357749 /nfs/dbraw/zinc/35/77/49/871357749.db2.gz YJKGORMNOUOWKK-BBRMVZONSA-N 2 1 304.438 1.113 20 10 DDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205083726 871357767 /nfs/dbraw/zinc/35/77/67/871357767.db2.gz YJKGORMNOUOWKK-BBRMVZONSA-N 3 1 304.438 1.113 20 10 DDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205083726 871357786 /nfs/dbraw/zinc/35/77/86/871357786.db2.gz YJKGORMNOUOWKK-BBRMVZONSA-N 3 1 304.438 1.113 20 10 DDCDMP COC[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308231801 871482068 /nfs/dbraw/zinc/48/20/68/871482068.db2.gz MVLTXSIUKGOBLN-CQSZACIVSA-N 2 1 309.429 1.950 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031762 888351803 /nfs/dbraw/zinc/35/18/03/888351803.db2.gz GTKNXDXBENOHHZ-SFHVURJKSA-N 3 1 300.450 1.282 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031762 888351813 /nfs/dbraw/zinc/35/18/13/888351813.db2.gz GTKNXDXBENOHHZ-SFHVURJKSA-N 2 1 300.450 1.282 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710594 888907484 /nfs/dbraw/zinc/90/74/84/888907484.db2.gz BYWZPRHPGZFOCA-UHFFFAOYSA-N 3 1 300.450 1.282 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710594 888907490 /nfs/dbraw/zinc/90/74/90/888907490.db2.gz BYWZPRHPGZFOCA-UHFFFAOYSA-N 3 1 300.450 1.282 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1OC ZINC001236750253 889328177 /nfs/dbraw/zinc/32/81/77/889328177.db2.gz DWHHSRDGLVEUCY-OCCSQVGLSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1cc(O)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1OC ZINC001236750253 889328189 /nfs/dbraw/zinc/32/81/89/889328189.db2.gz DWHHSRDGLVEUCY-OCCSQVGLSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1cc(O)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1OC ZINC001236750253 889328202 /nfs/dbraw/zinc/32/82/02/889328202.db2.gz DWHHSRDGLVEUCY-OCCSQVGLSA-N 2 1 306.406 1.793 20 10 DDCDMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236932544 889430473 /nfs/dbraw/zinc/43/04/73/889430473.db2.gz RNYNIPJVNROMBT-CJNGLKHVSA-N 2 1 307.413 1.533 20 10 DDCDMP CC[C@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176358 892461806 /nfs/dbraw/zinc/46/18/06/892461806.db2.gz WXRORDCEEYSTGZ-DLBZAZTESA-N 2 1 302.466 1.716 20 10 DDCDMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1O ZINC000186172439 407594435 /nfs/dbraw/zinc/59/44/35/407594435.db2.gz DWGCJXOSYHWCGD-OAHLLOKOSA-N 2 1 305.422 1.597 20 10 DDCDMP CCOc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000282493840 409055896 /nfs/dbraw/zinc/05/58/96/409055896.db2.gz WESFANRTXBYVIZ-UHFFFAOYSA-N 2 1 321.465 1.907 20 10 DDCDMP COc1c(O)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373331531 418420829 /nfs/dbraw/zinc/42/08/29/418420829.db2.gz JQVZJZNNQXOCJU-TXEJJXNPSA-N 2 1 307.350 1.302 20 10 DDCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128323827 696778386 /nfs/dbraw/zinc/77/83/86/696778386.db2.gz ZMQXRDPYFYSPDU-NSHDSACASA-N 2 1 311.813 1.333 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000841057268 702328644 /nfs/dbraw/zinc/32/86/44/702328644.db2.gz IPGCVCUGEJMPDS-DLBZAZTESA-N 2 1 302.466 1.798 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000843123183 702824238 /nfs/dbraw/zinc/82/42/38/702824238.db2.gz IRYSPYVGKILWOR-QGZVFWFLSA-N 2 1 306.406 1.985 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000843123183 702824241 /nfs/dbraw/zinc/82/42/41/702824241.db2.gz IRYSPYVGKILWOR-QGZVFWFLSA-N 2 1 306.406 1.985 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](F)C3)cc2)CC1 ZINC000898187412 708568455 /nfs/dbraw/zinc/56/84/55/708568455.db2.gz JIFUGFFVVOMJCT-IRXDYDNUSA-N 2 1 307.413 1.343 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@@H](F)C3)cc2)CC1 ZINC000898187412 708568457 /nfs/dbraw/zinc/56/84/57/708568457.db2.gz JIFUGFFVVOMJCT-IRXDYDNUSA-N 2 1 307.413 1.343 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923481138 714369717 /nfs/dbraw/zinc/36/97/17/714369717.db2.gz GBUCJNFOLLOMGT-OAHLLOKOSA-N 2 1 304.438 1.040 20 10 DDCDMP C[N@@H+](CCOCC[NH3+])Cc1cc(Br)ccc1O ZINC000699516040 745651756 /nfs/dbraw/zinc/65/17/56/745651756.db2.gz MLIHQOBZNDTXJY-UHFFFAOYSA-N 2 1 303.200 1.562 20 10 DDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001275315178 852973907 /nfs/dbraw/zinc/97/39/07/852973907.db2.gz QLKBTQTWRODOHX-IRXDYDNUSA-N 2 1 303.450 1.911 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)cc2F)CC1 ZINC001319972367 866410466 /nfs/dbraw/zinc/41/04/66/866410466.db2.gz HABZGBLSOGJWIZ-HOTGVXAUSA-N 2 1 318.440 1.229 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C3CC3)cc2F)CC1 ZINC001323971097 866987366 /nfs/dbraw/zinc/98/73/66/866987366.db2.gz CJNJRIYKYXBFNI-KRWDZBQOSA-N 2 1 307.413 1.438 20 10 DDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205009462 871324096 /nfs/dbraw/zinc/32/40/96/871324096.db2.gz TVMWRDLUXPHAJJ-KRWDZBQOSA-N 3 1 302.466 1.528 20 10 DDCDMP C[NH2+]C[C@@H]1CCCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205009462 871324115 /nfs/dbraw/zinc/32/41/15/871324115.db2.gz TVMWRDLUXPHAJJ-KRWDZBQOSA-N 2 1 302.466 1.528 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001205124448 871379204 /nfs/dbraw/zinc/37/92/04/871379204.db2.gz RTFJMYBKDLLSRL-INIZCTEOSA-N 3 1 320.456 1.891 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001205124448 871379223 /nfs/dbraw/zinc/37/92/23/871379223.db2.gz RTFJMYBKDLLSRL-INIZCTEOSA-N 3 1 320.456 1.891 20 10 DDCDMP C[N@H+]1CCN(CC[NH2+]Cc2cc(F)c(F)cc2[O-])CC1(C)C ZINC001308717068 871521476 /nfs/dbraw/zinc/52/14/76/871521476.db2.gz ZWHVOIWTWYPSJD-UHFFFAOYSA-N 2 1 313.392 1.786 20 10 DDCDMP C[N@H+]1CCN(CC[NH2+]Cc2cc(F)c(F)cc2O)CC1(C)C ZINC001308717068 871521515 /nfs/dbraw/zinc/52/15/15/871521515.db2.gz ZWHVOIWTWYPSJD-UHFFFAOYSA-N 2 1 313.392 1.786 20 10 DDCDMP CC(C)[C@H](CO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001346909849 873933200 /nfs/dbraw/zinc/93/32/00/873933200.db2.gz CWAMJCFNUHEBAJ-INIZCTEOSA-N 2 1 323.456 1.932 20 10 DDCDMP Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235059591 888382755 /nfs/dbraw/zinc/38/27/55/888382755.db2.gz DNMSWJQERIMKQZ-CQSZACIVSA-N 2 1 315.339 1.548 20 10 DDCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235059591 888382767 /nfs/dbraw/zinc/38/27/67/888382767.db2.gz DNMSWJQERIMKQZ-CQSZACIVSA-N 2 1 315.339 1.548 20 10 DDCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235108992 888412472 /nfs/dbraw/zinc/41/24/72/888412472.db2.gz CTUAXOHKLUJIKZ-GOSISDBHSA-N 3 1 316.449 1.130 20 10 DDCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235108992 888412482 /nfs/dbraw/zinc/41/24/82/888412482.db2.gz CTUAXOHKLUJIKZ-GOSISDBHSA-N 3 1 316.449 1.130 20 10 DDCDMP CN1CCCc2cc(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])ccc21 ZINC001235993547 889050678 /nfs/dbraw/zinc/05/06/78/889050678.db2.gz IQEWUUHMPBHPHA-BYICEURKSA-N 2 1 301.434 1.475 20 10 DDCDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236754802 889333837 /nfs/dbraw/zinc/33/38/37/889333837.db2.gz VBYVHHFBCZLOSY-OKILXGFUSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236754802 889333850 /nfs/dbraw/zinc/33/38/50/889333850.db2.gz VBYVHHFBCZLOSY-OKILXGFUSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236754802 889333862 /nfs/dbraw/zinc/33/38/62/889333862.db2.gz VBYVHHFBCZLOSY-OKILXGFUSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236754802 889333875 /nfs/dbraw/zinc/33/38/75/889333875.db2.gz VBYVHHFBCZLOSY-OKILXGFUSA-N 2 1 306.406 1.793 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246171159 892459061 /nfs/dbraw/zinc/45/90/61/892459061.db2.gz CJCZLWXOCQBZII-KRWDZBQOSA-N 2 1 314.477 1.861 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000775700631 698024309 /nfs/dbraw/zinc/02/43/09/698024309.db2.gz LLZICTNJTPCEHY-HDICACEKSA-N 2 1 301.434 1.802 20 10 DDCDMP COc1ccc(N2CCC([NH2+]C[C@H](O)C[NH+](C)C)CC2)cc1 ZINC000305131514 698635687 /nfs/dbraw/zinc/63/56/87/698635687.db2.gz NDYRFQHKEJDQMN-INIZCTEOSA-N 2 1 307.438 1.176 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@]4(CO)C3)cc2)CC1 ZINC000783735793 698872528 /nfs/dbraw/zinc/87/25/28/698872528.db2.gz SGOLMWNUEOZMBI-FUHWJXTLSA-N 2 1 301.434 1.253 20 10 DDCDMP C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765027 701687655 /nfs/dbraw/zinc/68/76/55/701687655.db2.gz MEAWQWPIQYABNR-HNNXBMFYSA-N 2 1 316.449 1.149 20 10 DDCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466663 701180440 /nfs/dbraw/zinc/18/04/40/701180440.db2.gz UBMJCFSOXWVHKK-GUYCJALGSA-N 2 1 320.433 1.982 20 10 DDCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466663 701180441 /nfs/dbraw/zinc/18/04/41/701180441.db2.gz UBMJCFSOXWVHKK-GUYCJALGSA-N 2 1 320.433 1.982 20 10 DDCDMP C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](O)C[NH3+] ZINC000841091788 702342342 /nfs/dbraw/zinc/34/23/42/702342342.db2.gz GEUHBVUKZZGZRW-INIZCTEOSA-N 2 1 316.401 1.723 20 10 DDCDMP COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000843058989 702809772 /nfs/dbraw/zinc/80/97/72/702809772.db2.gz BPIRUQAYCCZNEL-UHTWSYAYSA-N 2 1 321.377 1.868 20 10 DDCDMP COc1c(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000843058989 702809775 /nfs/dbraw/zinc/80/97/75/702809775.db2.gz BPIRUQAYCCZNEL-UHTWSYAYSA-N 2 1 321.377 1.868 20 10 DDCDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(O)c1O ZINC000855347255 704480129 /nfs/dbraw/zinc/48/01/29/704480129.db2.gz ZXKWYAMDPXUWFL-LBPRGKRZSA-N 2 1 309.410 1.100 20 10 DDCDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(O)c1O ZINC000855347255 704480130 /nfs/dbraw/zinc/48/01/30/704480130.db2.gz ZXKWYAMDPXUWFL-LBPRGKRZSA-N 2 1 309.410 1.100 20 10 DDCDMP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1O ZINC000925857986 714952494 /nfs/dbraw/zinc/95/24/94/714952494.db2.gz RFFLFOWYLVTLPX-WCQYABFASA-N 2 1 322.380 1.867 20 10 DDCDMP CNC(=O)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001177707547 778709387 /nfs/dbraw/zinc/70/93/87/778709387.db2.gz MTPDOTUTIXSBMA-UHFFFAOYSA-N 2 1 322.428 1.193 20 10 DDCDMP COc1cc(C[N@H+]2CCCC[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255624 860338905 /nfs/dbraw/zinc/33/89/05/860338905.db2.gz QQXUOWUQEFXITB-OAHLLOKOSA-N 2 1 308.422 1.809 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]34CCOC4)cc2)CC1 ZINC001139410794 860390762 /nfs/dbraw/zinc/39/07/62/860390762.db2.gz FLHNGNHXCRECFI-GOSISDBHSA-N 2 1 301.434 1.803 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@@H]([NH3+])C(C)(C)C3)cc2F)CC1 ZINC001334055717 867268287 /nfs/dbraw/zinc/26/82/87/867268287.db2.gz OTOSJVPMUXTQJC-QGZVFWFLSA-N 2 1 320.456 1.747 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cccc(F)c1O)C2 ZINC001276537913 873342862 /nfs/dbraw/zinc/34/28/62/873342862.db2.gz POVUDPDTCDAIJE-UHFFFAOYSA-N 2 1 321.440 1.991 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001276537913 873342870 /nfs/dbraw/zinc/34/28/70/873342870.db2.gz POVUDPDTCDAIJE-UHFFFAOYSA-N 2 1 321.440 1.991 20 10 DDCDMP C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C[NH2+]1 ZINC001345957200 873570299 /nfs/dbraw/zinc/57/02/99/873570299.db2.gz UMYKDPXUHKRTHB-GJZGRUSLSA-N 2 1 320.456 1.760 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)C3)c(F)c2)CC1 ZINC001236934062 889430100 /nfs/dbraw/zinc/43/01/00/889430100.db2.gz BJEPFKICKWAWQY-CQSZACIVSA-N 2 1 307.413 1.392 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1C1CC[NH+](C)CC1 ZINC000368050888 223604423 /nfs/dbraw/zinc/60/44/23/223604423.db2.gz INSJODLUWSYJLU-OAHLLOKOSA-N 2 1 303.450 1.993 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000368601236 418723404 /nfs/dbraw/zinc/72/34/04/418723404.db2.gz JSKXTRDGQOYCCF-DOTOQJQBSA-N 2 1 303.450 1.850 20 10 DDCDMP Cc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000373219368 418932319 /nfs/dbraw/zinc/93/23/19/418932319.db2.gz XBDHYCHHHYGLGV-KRWDZBQOSA-N 2 1 303.450 1.912 20 10 DDCDMP C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776521151 698112423 /nfs/dbraw/zinc/11/24/23/698112423.db2.gz LAYJWQOSNMQSAI-OYHNWAKOSA-N 2 1 323.506 1.637 20 10 DDCDMP COc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1O ZINC000729683808 699485047 /nfs/dbraw/zinc/48/50/47/699485047.db2.gz BLWVTAFWUKMKDL-UHFFFAOYSA-N 2 1 307.438 1.518 20 10 DDCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762790193 700906949 /nfs/dbraw/zinc/90/69/49/700906949.db2.gz YDELKKINBKRVCX-SCLBCKFNSA-N 2 1 304.434 1.988 20 10 DDCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762790193 700906950 /nfs/dbraw/zinc/90/69/50/700906950.db2.gz YDELKKINBKRVCX-SCLBCKFNSA-N 2 1 304.434 1.988 20 10 DDCDMP COc1cccc(O)c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000809787481 701689680 /nfs/dbraw/zinc/68/96/80/701689680.db2.gz FNKHOCGUSKSGJB-UHFFFAOYSA-N 2 1 309.454 1.716 20 10 DDCDMP COc1c(O)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843048479 702808020 /nfs/dbraw/zinc/80/80/20/702808020.db2.gz BICYHVSULWWHHP-JTQLQIEISA-N 2 1 309.366 1.868 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000844224341 702996741 /nfs/dbraw/zinc/99/67/41/702996741.db2.gz PAADBDBHYVMVGK-QGZVFWFLSA-N 2 1 318.465 1.572 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000844224341 702996743 /nfs/dbraw/zinc/99/67/43/702996743.db2.gz PAADBDBHYVMVGK-QGZVFWFLSA-N 2 1 318.465 1.572 20 10 DDCDMP C[N@H+](C[C@H](O)C[NH2+]CCCSc1nccs1)C1CC1 ZINC000819063391 704064135 /nfs/dbraw/zinc/06/41/35/704064135.db2.gz MMSWFKWAFNKKDN-GFCCVEGCSA-N 2 1 301.481 1.670 20 10 DDCDMP C[N@@H+](C[C@H](O)C[NH2+]CCCSc1nccs1)C1CC1 ZINC000819063391 704064137 /nfs/dbraw/zinc/06/41/37/704064137.db2.gz MMSWFKWAFNKKDN-GFCCVEGCSA-N 2 1 301.481 1.670 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@]1(CO)CCOC1 ZINC000862426782 705716022 /nfs/dbraw/zinc/71/60/22/705716022.db2.gz OHOCKBKJHCLKQY-GOSISDBHSA-N 2 1 319.449 1.022 20 10 DDCDMP Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000877022457 705961757 /nfs/dbraw/zinc/96/17/57/705961757.db2.gz VITYWKBHOREMPH-HNNXBMFYSA-N 2 1 305.422 1.378 20 10 DDCDMP Cc1cc(Cl)cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000863648215 705976232 /nfs/dbraw/zinc/97/62/32/705976232.db2.gz NZSJNTUOGOYCOB-UHFFFAOYSA-N 2 1 308.769 1.598 20 10 DDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000832274701 706882820 /nfs/dbraw/zinc/88/28/20/706882820.db2.gz XPUABSIFKUOPAR-HOTGVXAUSA-N 2 1 304.438 1.353 20 10 DDCDMP CC(=O)c1cc(F)cc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1O ZINC000931485257 714108822 /nfs/dbraw/zinc/10/88/22/714108822.db2.gz BPZVGEVDLBBPFZ-UHFFFAOYSA-N 2 1 324.396 1.622 20 10 DDCDMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001268640859 840620145 /nfs/dbraw/zinc/62/01/45/840620145.db2.gz YHQBRTLGKBHTIH-GDBMZVCRSA-N 2 1 319.449 1.692 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(CO)C3)cc2)CC1 ZINC001139407756 860391160 /nfs/dbraw/zinc/39/11/60/860391160.db2.gz COAYXEKWBOZCSC-SFHVURJKSA-N 2 1 303.450 1.643 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)C3)cc2F)CC1 ZINC001321863844 867839374 /nfs/dbraw/zinc/83/93/74/867839374.db2.gz YHLLBDDPMQMWJN-QGZVFWFLSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)C3)cc2F)CC1 ZINC001321863844 867839379 /nfs/dbraw/zinc/83/93/79/867839379.db2.gz YHLLBDDPMQMWJN-QGZVFWFLSA-N 2 1 307.413 1.534 20 10 DDCDMP CC(C)[C@@H](CO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001346909853 873932972 /nfs/dbraw/zinc/93/29/72/873932972.db2.gz CWAMJCFNUHEBAJ-MRXNPFEDSA-N 2 1 323.456 1.932 20 10 DDCDMP CC(C)(C)c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235059734 888382445 /nfs/dbraw/zinc/38/24/45/888382445.db2.gz FHMXWPZXUBYQSU-SFHVURJKSA-N 2 1 303.450 1.827 20 10 DDCDMP CC(C)(C)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235059734 888382459 /nfs/dbraw/zinc/38/24/59/888382459.db2.gz FHMXWPZXUBYQSU-SFHVURJKSA-N 2 1 303.450 1.827 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)cc1Cl ZINC001236077887 889097758 /nfs/dbraw/zinc/09/77/58/889097758.db2.gz LSDICUXYTBUTEE-AWEZNQCLSA-N 2 1 309.841 1.961 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(O)C3)c(F)c2)CC1 ZINC001236938885 889432422 /nfs/dbraw/zinc/43/24/22/889432422.db2.gz OZJOXUPPYBISPW-SFHVURJKSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CC[C@H]4C3)c(F)c2)CC1 ZINC001236944139 889434910 /nfs/dbraw/zinc/43/49/10/889434910.db2.gz DAPOPCSLRBENFI-KRWDZBQOSA-N 2 1 318.440 1.467 20 10 DDCDMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001253202305 895716049 /nfs/dbraw/zinc/71/60/49/895716049.db2.gz GUWDDJPIOWKYFU-GOSISDBHSA-N 2 1 321.465 1.316 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099588 702345763 /nfs/dbraw/zinc/34/57/63/702345763.db2.gz MMRUFLGADZIJKL-OAHLLOKOSA-N 2 1 301.394 1.588 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000843046803 702808039 /nfs/dbraw/zinc/80/80/39/702808039.db2.gz BBLNKDLWFYKRJK-KRWDZBQOSA-N 3 1 302.466 1.609 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843057507 702809458 /nfs/dbraw/zinc/80/94/58/702809458.db2.gz IWTRFJXISFJLHQ-HIFRSBDPSA-N 2 1 307.413 1.831 20 10 DDCDMP COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000843058987 702810065 /nfs/dbraw/zinc/81/00/65/702810065.db2.gz BPIRUQAYCCZNEL-CYZMBNFOSA-N 2 1 321.377 1.868 20 10 DDCDMP COc1c(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000843058987 702810068 /nfs/dbraw/zinc/81/00/68/702810068.db2.gz BPIRUQAYCCZNEL-CYZMBNFOSA-N 2 1 321.377 1.868 20 10 DDCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843123607 702824155 /nfs/dbraw/zinc/82/41/55/702824155.db2.gz SOIWJGUZDGBERZ-NSHDSACASA-N 2 1 313.804 1.664 20 10 DDCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843123607 702824157 /nfs/dbraw/zinc/82/41/57/702824157.db2.gz SOIWJGUZDGBERZ-NSHDSACASA-N 2 1 313.804 1.664 20 10 DDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC000877484207 706119491 /nfs/dbraw/zinc/11/94/91/706119491.db2.gz ZSRHRBCYCNXNLN-CALCHBBNSA-N 2 1 315.461 1.641 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC000877484207 706119494 /nfs/dbraw/zinc/11/94/94/706119494.db2.gz ZSRHRBCYCNXNLN-CALCHBBNSA-N 2 1 315.461 1.641 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC000877484207 706119498 /nfs/dbraw/zinc/11/94/98/706119498.db2.gz ZSRHRBCYCNXNLN-CALCHBBNSA-N 2 1 315.461 1.641 20 10 DDCDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130427353 767515463 /nfs/dbraw/zinc/51/54/63/767515463.db2.gz MRJSDNZLWJLFPU-UHFFFAOYSA-N 2 1 321.465 1.940 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[C@@H]1F ZINC001206197349 777105796 /nfs/dbraw/zinc/10/57/96/777105796.db2.gz HTQHFTRLYWQTRA-UONOGXRCSA-N 3 1 309.385 1.135 20 10 DDCDMP COc1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c(O)c1 ZINC001275275555 852944408 /nfs/dbraw/zinc/94/44/08/852944408.db2.gz KWDSNIBLXBPPTC-WMLDXEAASA-N 2 1 319.449 1.469 20 10 DDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001138499735 860121026 /nfs/dbraw/zinc/12/10/26/860121026.db2.gz GTKYUZQEFZPHQM-HDICACEKSA-N 2 1 315.461 1.907 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001138499735 860121029 /nfs/dbraw/zinc/12/10/29/860121029.db2.gz GTKYUZQEFZPHQM-HDICACEKSA-N 2 1 315.461 1.907 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001138499735 860121033 /nfs/dbraw/zinc/12/10/33/860121033.db2.gz GTKYUZQEFZPHQM-HDICACEKSA-N 2 1 315.461 1.907 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C1CN(C)C1 ZINC001140309519 860616325 /nfs/dbraw/zinc/61/63/25/860616325.db2.gz JRYJJONKOSQHBO-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP Oc1ccc(O)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001141159288 860798413 /nfs/dbraw/zinc/79/84/13/860798413.db2.gz CIGRHUWLJIRBQJ-UHFFFAOYSA-N 2 1 305.422 1.311 20 10 DDCDMP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325165319 867833676 /nfs/dbraw/zinc/83/36/76/867833676.db2.gz GCKXYHPMSWLNCZ-ZDUSSCGKSA-N 2 1 322.428 1.192 20 10 DDCDMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001206767753 872563467 /nfs/dbraw/zinc/56/34/67/872563467.db2.gz DYGWJAQSKKAIRL-WBVHZDCISA-N 3 1 302.466 1.655 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234969687 888280495 /nfs/dbraw/zinc/28/04/95/888280495.db2.gz BVDTYDIQYFMJCO-SJLPKXTDSA-N 2 1 303.450 1.953 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234969687 888280516 /nfs/dbraw/zinc/28/05/16/888280516.db2.gz BVDTYDIQYFMJCO-SJLPKXTDSA-N 2 1 303.450 1.953 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215840 889145255 /nfs/dbraw/zinc/14/52/55/889145255.db2.gz IQDIJHGPYYFVAK-DLBZAZTESA-N 3 1 318.465 1.504 20 10 DDCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215840 889145263 /nfs/dbraw/zinc/14/52/63/889145263.db2.gz IQDIJHGPYYFVAK-DLBZAZTESA-N 2 1 318.465 1.504 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C[NH2+]CCO2 ZINC001237414462 889622777 /nfs/dbraw/zinc/62/27/77/889622777.db2.gz LBFSMECGAKQTIJ-XJKSGUPXSA-N 3 1 317.433 1.448 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C[NH2+]CCO2 ZINC001237414462 889622780 /nfs/dbraw/zinc/62/27/80/889622780.db2.gz LBFSMECGAKQTIJ-XJKSGUPXSA-N 3 1 317.433 1.448 20 10 DDCDMP COc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c(OC)c1 ZINC001237680874 889802314 /nfs/dbraw/zinc/80/23/14/889802314.db2.gz MWPBEBFIHWTNJK-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c(OC)c1 ZINC001237680874 889802334 /nfs/dbraw/zinc/80/23/34/889802334.db2.gz MWPBEBFIHWTNJK-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c(OC)c1 ZINC001237680874 889802337 /nfs/dbraw/zinc/80/23/37/889802337.db2.gz MWPBEBFIHWTNJK-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP C[C@H]1CC(NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)[NH2+]1 ZINC001246171800 892459020 /nfs/dbraw/zinc/45/90/20/892459020.db2.gz DSFSNFGMHWHYOW-GJZGRUSLSA-N 2 1 302.466 1.715 20 10 DDCDMP COc1c([O-])c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278570049 409085234 /nfs/dbraw/zinc/08/52/34/409085234.db2.gz CNZSFMXRAMZELQ-LLVKDONJSA-N 2 1 321.377 1.883 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1O ZINC000779199929 698401550 /nfs/dbraw/zinc/40/15/50/698401550.db2.gz NCGJSCGSJHDSIU-MAUKXSAKSA-N 2 1 303.450 1.641 20 10 DDCDMP COc1cc(Cl)cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1O ZINC000841085595 702340139 /nfs/dbraw/zinc/34/01/39/702340139.db2.gz IEDMSXBLXBSGAV-GFCCVEGCSA-N 2 1 300.786 1.522 20 10 DDCDMP COc1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000843119640 702823125 /nfs/dbraw/zinc/82/31/25/702823125.db2.gz XWJVRJZLJAOXNG-CQSZACIVSA-N 2 1 307.413 1.956 20 10 DDCDMP CN(C)c1ccc(/C=C/C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843124535 702824789 /nfs/dbraw/zinc/82/47/89/702824789.db2.gz GOTPMAZTHLCXFB-RTLBZRNLSA-N 2 1 314.477 1.745 20 10 DDCDMP COc1cccc(O)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000843431387 702880441 /nfs/dbraw/zinc/88/04/41/702880441.db2.gz FFTCPNKFZJJLTH-UHFFFAOYSA-N 2 1 306.406 1.697 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844222392 702996047 /nfs/dbraw/zinc/99/60/47/702996047.db2.gz DFNSCMLBPPJYRG-GDBMZVCRSA-N 2 1 318.465 1.380 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844222392 702996049 /nfs/dbraw/zinc/99/60/49/702996049.db2.gz DFNSCMLBPPJYRG-GDBMZVCRSA-N 2 1 318.465 1.380 20 10 DDCDMP CCN(C)c1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000854232066 704369360 /nfs/dbraw/zinc/36/93/60/704369360.db2.gz KPHHAMPAFNDLRM-LBPRGKRZSA-N 2 1 315.421 1.948 20 10 DDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c1 ZINC001275315702 852974701 /nfs/dbraw/zinc/97/47/01/852974701.db2.gz TZRMYZIJCXIOQS-WMZOPIPTSA-N 2 1 319.449 1.147 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001276358820 855714754 /nfs/dbraw/zinc/71/47/54/855714754.db2.gz BMIXBVBWGKIMJT-OKILXGFUSA-N 2 1 307.413 1.742 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001276358820 855714759 /nfs/dbraw/zinc/71/47/59/855714759.db2.gz BMIXBVBWGKIMJT-OKILXGFUSA-N 2 1 307.413 1.742 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cncnc1 ZINC001139411663 860389386 /nfs/dbraw/zinc/38/93/86/860389386.db2.gz XUORARZOGKJXFL-UHFFFAOYSA-N 2 1 311.433 1.860 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cncnc1 ZINC001139411663 860389390 /nfs/dbraw/zinc/38/93/90/860389390.db2.gz XUORARZOGKJXFL-UHFFFAOYSA-N 2 1 311.433 1.860 20 10 DDCDMP CN1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139408680 860390316 /nfs/dbraw/zinc/39/03/16/860390316.db2.gz CAKZOUZZUKRARN-SFHVURJKSA-N 2 1 302.466 1.574 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC001139408680 860390318 /nfs/dbraw/zinc/39/03/18/860390318.db2.gz CAKZOUZZUKRARN-SFHVURJKSA-N 2 1 302.466 1.574 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC001139408680 860390323 /nfs/dbraw/zinc/39/03/23/860390323.db2.gz CAKZOUZZUKRARN-SFHVURJKSA-N 2 1 302.466 1.574 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@H]3CCN(C)C3)cc2)CC1 ZINC001140304574 860614553 /nfs/dbraw/zinc/61/45/53/860614553.db2.gz VMFLKNFKNZEZEC-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN(C)[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC001140304574 860614557 /nfs/dbraw/zinc/61/45/57/860614557.db2.gz VMFLKNFKNZEZEC-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN(C)[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001140304574 860614561 /nfs/dbraw/zinc/61/45/61/860614561.db2.gz VMFLKNFKNZEZEC-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)CC(=O)NC)cc2)CC1 ZINC001140301916 860614632 /nfs/dbraw/zinc/61/46/32/860614632.db2.gz DANFUGQXOMNVGP-UHFFFAOYSA-N 2 1 304.438 1.006 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC(=O)NC)cc2)CC1 ZINC001140301916 860614635 /nfs/dbraw/zinc/61/46/35/860614635.db2.gz DANFUGQXOMNVGP-UHFFFAOYSA-N 2 1 304.438 1.006 20 10 DDCDMP Cc1c(O)ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001140749720 860691665 /nfs/dbraw/zinc/69/16/65/860691665.db2.gz KOSSEOPACYXLGX-CQSZACIVSA-N 2 1 321.421 1.048 20 10 DDCDMP Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001140749720 860691671 /nfs/dbraw/zinc/69/16/71/860691671.db2.gz KOSSEOPACYXLGX-CQSZACIVSA-N 2 1 321.421 1.048 20 10 DDCDMP CN1CCOc2cc(C[NH+]3CCN(CC[NH+](C)C)CC3)ccc21 ZINC001141139167 860793858 /nfs/dbraw/zinc/79/38/58/860793858.db2.gz LNLBUIQNGPCMGW-UHFFFAOYSA-N 2 1 318.465 1.194 20 10 DDCDMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](C)O ZINC001324399650 867255490 /nfs/dbraw/zinc/25/54/90/867255490.db2.gz JPZODTHISXIFKD-BBRMVZONSA-N 2 1 309.429 1.827 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cc2F)CC1 ZINC001325626552 868193871 /nfs/dbraw/zinc/19/38/71/868193871.db2.gz QYCDQIFPBJIRIC-ZBFHGGJFSA-N 3 1 320.456 1.795 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1C[NH3+] ZINC001205627425 871666738 /nfs/dbraw/zinc/66/67/38/871666738.db2.gz PNAILUYDZJFGGE-AEFFLSMTSA-N 3 1 316.493 1.903 20 10 DDCDMP CN1CCOc2cc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)ccc21 ZINC001205682797 871692566 /nfs/dbraw/zinc/69/25/66/871692566.db2.gz VNXHYPDWBJBBQP-QGZVFWFLSA-N 2 1 305.422 1.191 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]1O ZINC001206481698 872368373 /nfs/dbraw/zinc/36/83/73/872368373.db2.gz YWCGXEFFACLKQD-VHSXEESVSA-N 2 1 306.284 1.042 20 10 DDCDMP C[C@@H]1CC[C@H](NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[NH2+]1 ZINC001348437323 874557048 /nfs/dbraw/zinc/55/70/48/874557048.db2.gz VVJVAPOINPTZEV-ZBFHGGJFSA-N 2 1 320.456 1.808 20 10 DDCDMP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC2(CC[NH2+]2)CC1 ZINC001235111741 888415903 /nfs/dbraw/zinc/41/59/03/888415903.db2.gz SXNFZELKFOQJCL-UHFFFAOYSA-N 2 1 316.449 1.130 20 10 DDCDMP COc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367472466 418604889 /nfs/dbraw/zinc/60/48/89/418604889.db2.gz MKZZUMQSIZLKSZ-INIZCTEOSA-N 2 1 319.449 1.613 20 10 DDCDMP COc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367472466 418604892 /nfs/dbraw/zinc/60/48/92/418604892.db2.gz MKZZUMQSIZLKSZ-INIZCTEOSA-N 2 1 319.449 1.613 20 10 DDCDMP C[NH+]1CCC(O)(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790970824 699605512 /nfs/dbraw/zinc/60/55/12/699605512.db2.gz HXMOLVRGDDBZRX-UHFFFAOYSA-N 2 1 302.777 1.731 20 10 DDCDMP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841085470 702340290 /nfs/dbraw/zinc/34/02/90/702340290.db2.gz DKYKNMUVVWXFGK-LBPRGKRZSA-N 2 1 315.211 1.623 20 10 DDCDMP CC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817415335 702374121 /nfs/dbraw/zinc/37/41/21/702374121.db2.gz RFRVOJIODVLONJ-KRWDZBQOSA-N 2 1 316.449 1.149 20 10 DDCDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843052460 702808846 /nfs/dbraw/zinc/80/88/46/702808846.db2.gz LLIDJTDOLJGLEZ-OAHLLOKOSA-N 2 1 307.413 1.704 20 10 DDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843052460 702808848 /nfs/dbraw/zinc/80/88/48/702808848.db2.gz LLIDJTDOLJGLEZ-OAHLLOKOSA-N 2 1 307.413 1.704 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852708333 704103524 /nfs/dbraw/zinc/10/35/24/704103524.db2.gz XOICVOXPOJVZSU-GOSISDBHSA-N 2 1 303.450 1.784 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852708333 704103526 /nfs/dbraw/zinc/10/35/26/704103526.db2.gz XOICVOXPOJVZSU-GOSISDBHSA-N 2 1 303.450 1.784 20 10 DDCDMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001169513458 762472999 /nfs/dbraw/zinc/47/29/99/762472999.db2.gz MWMQTTKIVHJRBT-KRWDZBQOSA-N 2 1 317.433 1.567 20 10 DDCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001275419234 853097290 /nfs/dbraw/zinc/09/72/90/853097290.db2.gz SYIKDTCRMWLFKJ-XJKSGUPXSA-N 2 1 305.422 1.166 20 10 DDCDMP COc1cc(C[N@H+]2CCOC[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253098 860336118 /nfs/dbraw/zinc/33/61/18/860336118.db2.gz LQNHKMYANLSGQE-CYBMUJFWSA-N 2 1 308.422 1.931 20 10 DDCDMP COc1cc(C[N@@H+]2CCOC[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139254352 860336907 /nfs/dbraw/zinc/33/69/07/860336907.db2.gz HYBVASRNMVHBCM-QGZVFWFLSA-N 2 1 324.421 1.046 20 10 DDCDMP COc1cc(C[N@H+]2CCOC[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139254352 860336912 /nfs/dbraw/zinc/33/69/12/860336912.db2.gz HYBVASRNMVHBCM-QGZVFWFLSA-N 2 1 324.421 1.046 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4CCC3CC4)cc2)CC1 ZINC001139412335 860392083 /nfs/dbraw/zinc/39/20/83/860392083.db2.gz GSWMNVDNFABKEG-UHFFFAOYSA-N 2 1 314.477 1.718 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4CCC3CC4)cc2)CC1 ZINC001139412335 860392087 /nfs/dbraw/zinc/39/20/87/860392087.db2.gz GSWMNVDNFABKEG-UHFFFAOYSA-N 2 1 314.477 1.718 20 10 DDCDMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)O ZINC001324399651 867255871 /nfs/dbraw/zinc/25/58/71/867255871.db2.gz JPZODTHISXIFKD-CJNGLKHVSA-N 2 1 309.429 1.827 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@](C)(O)C3)cc2F)CC1 ZINC001325325246 867945033 /nfs/dbraw/zinc/94/50/33/867945033.db2.gz UVALQCPPEULNDF-KDYLLFBJSA-N 2 1 307.413 1.581 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)CC1 ZINC001335949910 868642265 /nfs/dbraw/zinc/64/22/65/868642265.db2.gz WQFNLCMMCUELIZ-IYBDPMFKSA-N 2 1 318.440 1.514 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205229207 871447146 /nfs/dbraw/zinc/44/71/46/871447146.db2.gz MBCGCGQDTQHCKB-GOSISDBHSA-N 2 1 321.465 1.914 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(O)c1 ZINC001205297073 871488135 /nfs/dbraw/zinc/48/81/35/871488135.db2.gz YMBJVXZPSANXDM-QGZVFWFLSA-N 2 1 306.406 1.811 20 10 DDCDMP CCOc1cccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222086352 880232136 /nfs/dbraw/zinc/23/21/36/880232136.db2.gz WYZBPFYNJFSWCX-UHFFFAOYSA-N 2 1 305.422 1.318 20 10 DDCDMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236420553 889228879 /nfs/dbraw/zinc/22/88/79/889228879.db2.gz PJWPXYZJEOQGGA-BBRMVZONSA-N 3 1 304.438 1.113 20 10 DDCDMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236420553 889228892 /nfs/dbraw/zinc/22/88/92/889228892.db2.gz PJWPXYZJEOQGGA-BBRMVZONSA-N 3 1 304.438 1.113 20 10 DDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC000194534703 222179524 /nfs/dbraw/zinc/17/95/24/222179524.db2.gz NEXGMKAROGQTID-CALCHBBNSA-N 2 1 301.434 1.517 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC000194534703 222179527 /nfs/dbraw/zinc/17/95/27/222179527.db2.gz NEXGMKAROGQTID-CALCHBBNSA-N 2 1 301.434 1.517 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC000194534703 222179530 /nfs/dbraw/zinc/17/95/30/222179530.db2.gz NEXGMKAROGQTID-CALCHBBNSA-N 2 1 301.434 1.517 20 10 DDCDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2O)CC1 ZINC000109770727 696638320 /nfs/dbraw/zinc/63/83/20/696638320.db2.gz RYBOYRHKFIUMOX-UHFFFAOYSA-N 2 1 305.422 1.425 20 10 DDCDMP C[C@H]1C[C@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000841062949 702331322 /nfs/dbraw/zinc/33/13/22/702331322.db2.gz ZTDFAXLSARHBJS-DOTOQJQBSA-N 2 1 302.466 1.669 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100106 702345557 /nfs/dbraw/zinc/34/55/57/702345557.db2.gz UVODBEPOLUEUPC-CMPLNLGQSA-N 2 1 309.366 1.726 20 10 DDCDMP COc1c(O)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100106 702345564 /nfs/dbraw/zinc/34/55/64/702345564.db2.gz UVODBEPOLUEUPC-CMPLNLGQSA-N 2 1 309.366 1.726 20 10 DDCDMP Cc1cc(Cl)cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000843044544 702807207 /nfs/dbraw/zinc/80/72/07/702807207.db2.gz HTKCEZUIRYUNFU-UHFFFAOYSA-N 2 1 311.813 1.218 20 10 DDCDMP Cc1cc(Cl)cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000843044544 702807210 /nfs/dbraw/zinc/80/72/10/702807210.db2.gz HTKCEZUIRYUNFU-UHFFFAOYSA-N 2 1 311.813 1.218 20 10 DDCDMP CN(C)c1ccc(/C=C\C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843124534 702824623 /nfs/dbraw/zinc/82/46/23/702824623.db2.gz GOTPMAZTHLCXFB-LLHWWHOWSA-N 2 1 314.477 1.745 20 10 DDCDMP COc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827855493 706077052 /nfs/dbraw/zinc/07/70/52/706077052.db2.gz FAXIGWLEPOHODO-HNNXBMFYSA-N 2 1 308.422 1.943 20 10 DDCDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273005 706882730 /nfs/dbraw/zinc/88/27/30/706882730.db2.gz LDPCDPZPDOIRKF-IRXDYDNUSA-N 2 1 318.465 1.743 20 10 DDCDMP OC1CCN(c2ccc(C[NH2+]CCC[NH+]3CCC3)cc2)CC1 ZINC000883079479 707920363 /nfs/dbraw/zinc/92/03/63/707920363.db2.gz VKEYGNBTTLXGBL-UHFFFAOYSA-N 2 1 303.450 1.833 20 10 DDCDMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864796 711308211 /nfs/dbraw/zinc/30/82/11/711308211.db2.gz XAVMOFMCBPNHOJ-WMZOPIPTSA-N 2 1 301.434 1.836 20 10 DDCDMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864796 711308214 /nfs/dbraw/zinc/30/82/14/711308214.db2.gz XAVMOFMCBPNHOJ-WMZOPIPTSA-N 2 1 301.434 1.836 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1C[NH3+] ZINC000904410303 711854387 /nfs/dbraw/zinc/85/43/87/711854387.db2.gz DPZHOZRSUDHKTO-WMZOPIPTSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C[NH3+] ZINC000904410303 711854388 /nfs/dbraw/zinc/85/43/88/711854388.db2.gz DPZHOZRSUDHKTO-WMZOPIPTSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C[NH3+] ZINC000904410303 711854389 /nfs/dbraw/zinc/85/43/89/711854389.db2.gz DPZHOZRSUDHKTO-WMZOPIPTSA-N 2 1 316.493 1.855 20 10 DDCDMP COc1cc(C[N@H+](C)Cc2cnn(C)c2)cc(C[NH+](C)C)c1O ZINC001139253476 860336324 /nfs/dbraw/zinc/33/63/24/860336324.db2.gz VQQAIEDXPCRDIA-UHFFFAOYSA-N 2 1 318.421 1.828 20 10 DDCDMP COc1cc(C[N@@H+](C)Cc2cnn(C)c2)cc(C[NH+](C)C)c1O ZINC001139253476 860336335 /nfs/dbraw/zinc/33/63/35/860336335.db2.gz VQQAIEDXPCRDIA-UHFFFAOYSA-N 2 1 318.421 1.828 20 10 DDCDMP COc1cc(CN2CC[N@@H+](C)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139257487 860339325 /nfs/dbraw/zinc/33/93/25/860339325.db2.gz CEWYMRNWMTVIIK-CYBMUJFWSA-N 2 1 307.438 1.598 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3C)cc2)CC1 ZINC001140301855 860614892 /nfs/dbraw/zinc/61/48/92/860614892.db2.gz BMXNYGMVYMQLLH-QAPCUYQASA-N 2 1 303.450 1.784 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCN(C)C3)cc2)CC1 ZINC001140304575 860615149 /nfs/dbraw/zinc/61/51/49/860615149.db2.gz VMFLKNFKNZEZEC-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN(C)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC001140304575 860615155 /nfs/dbraw/zinc/61/51/55/860615155.db2.gz VMFLKNFKNZEZEC-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN(C)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001140304575 860615157 /nfs/dbraw/zinc/61/51/57/860615157.db2.gz VMFLKNFKNZEZEC-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)cc2)CC1 ZINC001140306561 860616723 /nfs/dbraw/zinc/61/67/23/860616723.db2.gz SXIHNQLHONTVFY-HDICACEKSA-N 2 1 301.434 1.802 20 10 DDCDMP CCC[NH2+]CCNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325271808 867903942 /nfs/dbraw/zinc/90/39/42/867903942.db2.gz DZNJQRBAMTVNDP-UHFFFAOYSA-N 2 1 308.445 1.667 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cc2F)CC1 ZINC001325626550 868193736 /nfs/dbraw/zinc/19/37/36/868193736.db2.gz QYCDQIFPBJIRIC-HOCLYGCPSA-N 3 1 320.456 1.795 20 10 DDCDMP CN(C)c1ccc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001203937917 870844591 /nfs/dbraw/zinc/84/45/91/870844591.db2.gz ZHLZTFHXKHBBOU-UHFFFAOYSA-N 2 1 318.465 1.349 20 10 DDCDMP COc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205102545 871363994 /nfs/dbraw/zinc/36/39/94/871363994.db2.gz SUOQDMDYNJVTFW-OAHLLOKOSA-N 3 1 307.438 1.776 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205102545 871364005 /nfs/dbraw/zinc/36/40/05/871364005.db2.gz SUOQDMDYNJVTFW-OAHLLOKOSA-N 3 1 307.438 1.776 20 10 DDCDMP COc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1Cl ZINC001205248907 871459357 /nfs/dbraw/zinc/45/93/57/871459357.db2.gz SVHDANQONLCRFM-HNNXBMFYSA-N 2 1 314.813 1.730 20 10 DDCDMP COc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1Cl ZINC001205248907 871459372 /nfs/dbraw/zinc/45/93/72/871459372.db2.gz SVHDANQONLCRFM-HNNXBMFYSA-N 2 1 314.813 1.730 20 10 DDCDMP CN1CCOc2cc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)ccc21 ZINC001222095717 880244925 /nfs/dbraw/zinc/24/49/25/880244925.db2.gz YSAMASVESVDYLC-UHFFFAOYSA-N 2 1 316.449 1.043 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(CO)C3)c(F)c2)CC1 ZINC001236931234 889428385 /nfs/dbraw/zinc/42/83/85/889428385.db2.gz HSIYYHTZBQKBGD-SFHVURJKSA-N 2 1 321.440 1.782 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CCNC3=CCCC[C@@H]31)C[NH2+]CCO2 ZINC001237227554 889554179 /nfs/dbraw/zinc/55/41/79/889554179.db2.gz AUXFTLPTRQHTNV-INIZCTEOSA-N 2 1 315.417 1.716 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCNC3=CCCC[C@@H]31)C[NH2+]CCO2 ZINC001237227554 889554189 /nfs/dbraw/zinc/55/41/89/889554189.db2.gz AUXFTLPTRQHTNV-INIZCTEOSA-N 2 1 315.417 1.716 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(OC)c1 ZINC001237401516 889617236 /nfs/dbraw/zinc/61/72/36/889617236.db2.gz DGGUDIVDWHGTFI-SWLSCSKDSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(OC)c1 ZINC001237401516 889617247 /nfs/dbraw/zinc/61/72/47/889617247.db2.gz DGGUDIVDWHGTFI-SWLSCSKDSA-N 2 1 306.406 1.983 20 10 DDCDMP C[C@H]1COCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775707585 698024290 /nfs/dbraw/zinc/02/42/90/698024290.db2.gz WVUUZZLCRDKWKT-MRXNPFEDSA-N 2 1 303.450 1.907 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1O ZINC000779199931 698401431 /nfs/dbraw/zinc/40/14/31/698401431.db2.gz NCGJSCGSJHDSIU-YJBOKZPZSA-N 2 1 303.450 1.641 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000843113291 702821504 /nfs/dbraw/zinc/82/15/04/702821504.db2.gz RGQMQUQYEPMBTO-KRWDZBQOSA-N 3 1 316.493 1.999 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000843113291 702821505 /nfs/dbraw/zinc/82/15/05/702821505.db2.gz RGQMQUQYEPMBTO-KRWDZBQOSA-N 2 1 316.493 1.999 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000843113291 702821507 /nfs/dbraw/zinc/82/15/07/702821507.db2.gz RGQMQUQYEPMBTO-KRWDZBQOSA-N 2 1 316.493 1.999 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120221 702823183 /nfs/dbraw/zinc/82/31/83/702823183.db2.gz ABUVEVNMGUZTRW-SFHVURJKSA-N 2 1 301.434 1.709 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843121007 702823897 /nfs/dbraw/zinc/82/38/97/702823897.db2.gz YKXPESRWLCVDQN-LJQANCHMSA-N 3 1 314.477 1.624 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843121007 702823899 /nfs/dbraw/zinc/82/38/99/702823899.db2.gz YKXPESRWLCVDQN-LJQANCHMSA-N 2 1 314.477 1.624 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843128310 702825333 /nfs/dbraw/zinc/82/53/33/702825333.db2.gz VTRVDQUOWMKQIF-AEFFLSMTSA-N 2 1 301.434 1.707 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843128317 702825544 /nfs/dbraw/zinc/82/55/44/702825544.db2.gz VTRVDQUOWMKQIF-WMZOPIPTSA-N 2 1 301.434 1.707 20 10 DDCDMP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000818973198 704039568 /nfs/dbraw/zinc/03/95/68/704039568.db2.gz NPHWAKOTLNWVGG-GOSISDBHSA-N 2 1 319.449 1.068 20 10 DDCDMP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000818973198 704039572 /nfs/dbraw/zinc/03/95/72/704039572.db2.gz NPHWAKOTLNWVGG-GOSISDBHSA-N 2 1 319.449 1.068 20 10 DDCDMP COc1cc(C)cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1O ZINC000895341366 711489490 /nfs/dbraw/zinc/48/94/90/711489490.db2.gz DTOBWUXUFPKXDG-INIZCTEOSA-N 2 1 320.433 1.740 20 10 DDCDMP COc1cc(C)cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1O ZINC000895341366 711489491 /nfs/dbraw/zinc/48/94/91/711489491.db2.gz DTOBWUXUFPKXDG-INIZCTEOSA-N 2 1 320.433 1.740 20 10 DDCDMP COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001205797040 747062619 /nfs/dbraw/zinc/06/26/19/747062619.db2.gz XWYKWIJOXTUWLB-LLVKDONJSA-N 2 1 316.348 1.825 20 10 DDCDMP COc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001205797040 747062622 /nfs/dbraw/zinc/06/26/22/747062622.db2.gz XWYKWIJOXTUWLB-LLVKDONJSA-N 2 1 316.348 1.825 20 10 DDCDMP CC(C)[N@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001199951347 748079027 /nfs/dbraw/zinc/07/90/27/748079027.db2.gz HYLIOWCGWLUDGE-UHFFFAOYSA-N 2 1 304.482 1.868 20 10 DDCDMP CC(C)[N@@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001199951347 748079035 /nfs/dbraw/zinc/07/90/35/748079035.db2.gz HYLIOWCGWLUDGE-UHFFFAOYSA-N 2 1 304.482 1.868 20 10 DDCDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)NC ZINC001324677798 867448808 /nfs/dbraw/zinc/44/88/08/867448808.db2.gz YXTCXEBEDRPWIK-OAHLLOKOSA-N 2 1 322.428 1.192 20 10 DDCDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001205016872 871325365 /nfs/dbraw/zinc/32/53/65/871325365.db2.gz LIFOCOOKRGJMKI-CYBMUJFWSA-N 3 1 305.422 1.306 20 10 DDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001205016872 871325385 /nfs/dbraw/zinc/32/53/85/871325385.db2.gz LIFOCOOKRGJMKI-CYBMUJFWSA-N 3 1 305.422 1.306 20 10 DDCDMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206351564 872243741 /nfs/dbraw/zinc/24/37/41/872243741.db2.gz FGWRADNEQLQIAC-SFHVURJKSA-N 3 1 320.456 1.749 20 10 DDCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206351564 872243756 /nfs/dbraw/zinc/24/37/56/872243756.db2.gz FGWRADNEQLQIAC-SFHVURJKSA-N 3 1 320.456 1.749 20 10 DDCDMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206351563 872244732 /nfs/dbraw/zinc/24/47/32/872244732.db2.gz FGWRADNEQLQIAC-GOSISDBHSA-N 3 1 320.456 1.749 20 10 DDCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206351563 872244753 /nfs/dbraw/zinc/24/47/53/872244753.db2.gz FGWRADNEQLQIAC-GOSISDBHSA-N 3 1 320.456 1.749 20 10 DDCDMP Cc1cccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1O ZINC001231593876 885756946 /nfs/dbraw/zinc/75/69/46/885756946.db2.gz NBYNBWLCQLCMOF-UHFFFAOYSA-N 2 1 305.422 1.297 20 10 DDCDMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235905493 889000839 /nfs/dbraw/zinc/00/08/39/889000839.db2.gz MHMUXSDSJPRLAY-HIFRSBDPSA-N 3 1 304.438 1.113 20 10 DDCDMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235905493 889000854 /nfs/dbraw/zinc/00/08/54/889000854.db2.gz MHMUXSDSJPRLAY-HIFRSBDPSA-N 3 1 304.438 1.113 20 10 DDCDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCC[NH2+]C4)C[C@@H]12 ZINC001236830344 889376923 /nfs/dbraw/zinc/37/69/23/889376923.db2.gz NGOTZPSOMDHCFW-NILFDRSVSA-N 3 1 303.406 1.043 20 10 DDCDMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCC12C[NH2+]C2 ZINC001237431123 889626151 /nfs/dbraw/zinc/62/61/51/889626151.db2.gz NSXZHVLYPHIYHU-OAHLLOKOSA-N 2 1 303.406 1.243 20 10 DDCDMP Oc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC001250993373 894552386 /nfs/dbraw/zinc/55/23/86/894552386.db2.gz UOWUYMVESMCJMH-CQSZACIVSA-N 2 1 318.339 1.869 20 10 DDCDMP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001265758800 902376021 /nfs/dbraw/zinc/37/60/21/902376021.db2.gz KCCHLFZBTFKXSQ-ZBFHGGJFSA-N 2 1 319.449 1.692 20 10 DDCDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297495400 132019460 /nfs/dbraw/zinc/01/94/60/132019460.db2.gz BPESCMOKVYAIIN-CQSZACIVSA-N 2 1 303.406 1.133 20 10 DDCDMP C[N@H+]1CCN(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000799345806 700137880 /nfs/dbraw/zinc/13/78/80/700137880.db2.gz PKHYGOPLZODBMK-UHFFFAOYSA-N 2 1 321.421 1.237 20 10 DDCDMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1O ZINC000783510464 698845201 /nfs/dbraw/zinc/84/52/01/698845201.db2.gz OJSUUGSSMKRSJM-CQSZACIVSA-N 2 1 319.449 1.986 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000809784879 701689164 /nfs/dbraw/zinc/68/91/64/701689164.db2.gz KSXKPMQHOLFNGE-MRXNPFEDSA-N 2 1 316.449 1.136 20 10 DDCDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846704554 703321692 /nfs/dbraw/zinc/32/16/92/703321692.db2.gz VHXAKYDMNWSXFH-WBVHZDCISA-N 3 1 302.466 1.750 20 10 DDCDMP CCc1cccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1O ZINC000848895574 703599658 /nfs/dbraw/zinc/59/96/58/703599658.db2.gz NVHMRLGNUDNNIV-UHFFFAOYSA-N 2 1 305.422 1.208 20 10 DDCDMP Cc1cccc(O)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876715007 705834425 /nfs/dbraw/zinc/83/44/25/705834425.db2.gz ISKDRILAUYKVFR-MRXNPFEDSA-N 2 1 303.450 1.912 20 10 DDCDMP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(F)cc(F)c1O ZINC000894766222 711263906 /nfs/dbraw/zinc/26/39/06/711263906.db2.gz NTMRPQNSVDMLNT-UHFFFAOYSA-N 2 1 301.381 1.596 20 10 DDCDMP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1O ZINC000925857985 714952636 /nfs/dbraw/zinc/95/26/36/714952636.db2.gz RFFLFOWYLVTLPX-DGCLKSJQSA-N 2 1 322.380 1.867 20 10 DDCDMP C[C@H](CCO)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326483469 861401374 /nfs/dbraw/zinc/40/13/74/861401374.db2.gz GGPAKDDUNAXYAF-CQSZACIVSA-N 2 1 309.429 1.780 20 10 DDCDMP C[C@H](CCO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326483469 861401380 /nfs/dbraw/zinc/40/13/80/861401380.db2.gz GGPAKDDUNAXYAF-CQSZACIVSA-N 2 1 309.429 1.780 20 10 DDCDMP C[NH2+][C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326501454 861409060 /nfs/dbraw/zinc/40/90/60/861409060.db2.gz FINMOCWWFWRRMG-OAHLLOKOSA-N 2 1 306.429 1.371 20 10 DDCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206632882 862144549 /nfs/dbraw/zinc/14/45/49/862144549.db2.gz PYWNPIMZLOESLB-HNNXBMFYSA-N 3 1 318.465 1.363 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253205 860336585 /nfs/dbraw/zinc/33/65/85/860336585.db2.gz PWBZSHZHJNOCCO-ZIAGYGMSSA-N 2 1 312.385 1.367 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253205 860336594 /nfs/dbraw/zinc/33/65/94/860336594.db2.gz PWBZSHZHJNOCCO-ZIAGYGMSSA-N 2 1 312.385 1.367 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256290 860338806 /nfs/dbraw/zinc/33/88/06/860338806.db2.gz XYNYXMUDYGJELD-SWLSCSKDSA-N 2 1 308.422 1.665 20 10 DDCDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1CN(C)C1 ZINC001139261040 860340665 /nfs/dbraw/zinc/34/06/65/860340665.db2.gz SKZGLMDKPKAXSC-UHFFFAOYSA-N 2 1 307.438 1.598 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCO[C@@H]4C3)cc2)CC1 ZINC001139413134 860391938 /nfs/dbraw/zinc/39/19/38/860391938.db2.gz RXSWOHHUTGIBAO-FUHWJXTLSA-N 2 1 301.434 1.659 20 10 DDCDMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCN4C)C[C@H]2C1 ZINC001141146410 860795165 /nfs/dbraw/zinc/79/51/65/860795165.db2.gz UOQMZCCDGWWYCF-HZPDHXFCSA-N 2 1 301.434 1.899 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CO)cc2F)CC1 ZINC001319706019 866232739 /nfs/dbraw/zinc/23/27/39/866232739.db2.gz QSXPKUMVXIEYNH-OAHLLOKOSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CO)cc2F)CC1 ZINC001319706019 866232757 /nfs/dbraw/zinc/23/27/57/866232757.db2.gz QSXPKUMVXIEYNH-OAHLLOKOSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001205016875 871325662 /nfs/dbraw/zinc/32/56/62/871325662.db2.gz LIFOCOOKRGJMKI-ZDUSSCGKSA-N 3 1 305.422 1.306 20 10 DDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001205016875 871325678 /nfs/dbraw/zinc/32/56/78/871325678.db2.gz LIFOCOOKRGJMKI-ZDUSSCGKSA-N 3 1 305.422 1.306 20 10 DDCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205570739 871635870 /nfs/dbraw/zinc/63/58/70/871635870.db2.gz NSCKPJWQMWEDNR-SFHVURJKSA-N 3 1 320.456 1.749 20 10 DDCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000185341301 408797392 /nfs/dbraw/zinc/79/73/92/408797392.db2.gz YYKMWXKXOFUILH-CQSZACIVSA-N 2 1 305.422 1.515 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccccc2O)CCN1C1CC[NH+](C)CC1 ZINC000368050887 418679491 /nfs/dbraw/zinc/67/94/91/418679491.db2.gz INSJODLUWSYJLU-HNNXBMFYSA-N 2 1 303.450 1.993 20 10 DDCDMP Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000185341663 697517056 /nfs/dbraw/zinc/51/70/56/697517056.db2.gz WADORNPWGUSSMF-AWEZNQCLSA-N 2 1 305.422 1.515 20 10 DDCDMP COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775655797 698020045 /nfs/dbraw/zinc/02/00/45/698020045.db2.gz LKTMMXUPUJNQRO-HNNXBMFYSA-N 2 1 319.449 1.679 20 10 DDCDMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775987098 698057718 /nfs/dbraw/zinc/05/77/18/698057718.db2.gz UQWQKPDDFMHWLB-IAGOWNOFSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775987098 698057722 /nfs/dbraw/zinc/05/77/22/698057722.db2.gz UQWQKPDDFMHWLB-IAGOWNOFSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775987098 698057726 /nfs/dbraw/zinc/05/77/26/698057726.db2.gz UQWQKPDDFMHWLB-IAGOWNOFSA-N 2 1 316.493 1.963 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](F)(CO)C3)cc2)CC1 ZINC000802660616 700416397 /nfs/dbraw/zinc/41/63/97/700416397.db2.gz RHHPGKVPNMHFDU-QGZVFWFLSA-N 2 1 307.413 1.345 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844219638 702995145 /nfs/dbraw/zinc/99/51/45/702995145.db2.gz NDYLKIDSBKVUJR-GDBMZVCRSA-N 2 1 318.465 1.428 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844219638 702995147 /nfs/dbraw/zinc/99/51/47/702995147.db2.gz NDYLKIDSBKVUJR-GDBMZVCRSA-N 2 1 318.465 1.428 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@](C)(CN)C2CC2)cc1 ZINC000844221055 702995840 /nfs/dbraw/zinc/99/58/40/702995840.db2.gz ROFZPKZIMOHALB-GOSISDBHSA-N 2 1 318.465 1.428 20 10 DDCDMP CN(C)c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1F ZINC000848559216 703563081 /nfs/dbraw/zinc/56/30/81/703563081.db2.gz QRXCUVHKVUPNDA-UHFFFAOYSA-N 2 1 309.429 1.828 20 10 DDCDMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000857229957 704566877 /nfs/dbraw/zinc/56/68/77/704566877.db2.gz LWKWCBKZXUTXKS-WMZOPIPTSA-N 2 1 301.434 1.836 20 10 DDCDMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000857229957 704566880 /nfs/dbraw/zinc/56/68/80/704566880.db2.gz LWKWCBKZXUTXKS-WMZOPIPTSA-N 2 1 301.434 1.836 20 10 DDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000832274704 706882845 /nfs/dbraw/zinc/88/28/45/706882845.db2.gz XPUABSIFKUOPAR-JKSUJKDBSA-N 2 1 304.438 1.353 20 10 DDCDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000904404952 711853528 /nfs/dbraw/zinc/85/35/28/711853528.db2.gz BXKNBGYWNTWFAJ-CQSZACIVSA-N 2 1 307.413 1.833 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)C3)cc2F)CC1 ZINC001118312424 781089896 /nfs/dbraw/zinc/08/98/96/781089896.db2.gz BGSHSXWUZCHZMQ-OAHLLOKOSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)C3)cc2F)CC1 ZINC001118312424 781089904 /nfs/dbraw/zinc/08/99/04/781089904.db2.gz BGSHSXWUZCHZMQ-OAHLLOKOSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000775685257 881395717 /nfs/dbraw/zinc/39/57/17/881395717.db2.gz DIQLAQWMXAZYIV-IBGZPJMESA-N 2 1 314.477 1.718 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(N)=O)C3)cc2)CC1 ZINC001140304306 860614536 /nfs/dbraw/zinc/61/45/36/860614536.db2.gz MURAXCXVUJBQFK-MRXNPFEDSA-N 2 1 316.449 1.136 20 10 DDCDMP C[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCN1C ZINC001332351001 865781392 /nfs/dbraw/zinc/78/13/92/865781392.db2.gz BBTONAALCIMKAX-PBHICJAKSA-N 2 1 320.456 1.760 20 10 DDCDMP CN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001335329002 868229688 /nfs/dbraw/zinc/22/96/88/868229688.db2.gz DEQZESNYNSKVIK-MRXNPFEDSA-N 2 1 320.456 1.761 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@H]1C[NH3+] ZINC001205140538 871390608 /nfs/dbraw/zinc/39/06/08/871390608.db2.gz MOWJDQFQIIWAPA-DZGCQCFKSA-N 2 1 307.413 1.689 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNC[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC001345100966 873255531 /nfs/dbraw/zinc/25/55/31/873255531.db2.gz XILMGGAOUCWJGA-OAHLLOKOSA-N 2 1 306.429 1.419 20 10 DDCDMP C[NH+]1CCN(C2C[NH+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC001231589773 885751362 /nfs/dbraw/zinc/75/13/62/885751362.db2.gz QECHNKVLDJLWKH-UHFFFAOYSA-N 2 1 311.429 1.977 20 10 DDCDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231638455 885776157 /nfs/dbraw/zinc/77/61/57/885776157.db2.gz BUFOCFMUMJHMKG-OKILXGFUSA-N 2 1 306.406 1.880 20 10 DDCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231638455 885776165 /nfs/dbraw/zinc/77/61/65/885776165.db2.gz BUFOCFMUMJHMKG-OKILXGFUSA-N 2 1 306.406 1.880 20 10 DDCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231638455 885776172 /nfs/dbraw/zinc/77/61/72/885776172.db2.gz BUFOCFMUMJHMKG-OKILXGFUSA-N 2 1 306.406 1.880 20 10 DDCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231638455 885776177 /nfs/dbraw/zinc/77/61/77/885776177.db2.gz BUFOCFMUMJHMKG-OKILXGFUSA-N 2 1 306.406 1.880 20 10 DDCDMP CCOC(=O)[C@]12C[N@@H+](Cc3cccc(C)c3O)C[C@H]1C[NH2+]CC2 ZINC001236040285 889078128 /nfs/dbraw/zinc/07/81/28/889078128.db2.gz KKRGSIIVXPBHDT-CRAIPNDOSA-N 2 1 318.417 1.675 20 10 DDCDMP Nc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001262487155 900193786 /nfs/dbraw/zinc/19/37/86/900193786.db2.gz LQTPRSGLTKHXMN-RDJZCZTQSA-N 2 1 316.449 1.349 20 10 DDCDMP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179569461 697439449 /nfs/dbraw/zinc/43/94/49/697439449.db2.gz JZPIFOGOXUNVAU-UHFFFAOYSA-N 2 1 303.406 1.132 20 10 DDCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1O ZINC000775745542 698029159 /nfs/dbraw/zinc/02/91/59/698029159.db2.gz XMFYJNZRQXIMES-SJLPKXTDSA-N 2 1 303.450 1.641 20 10 DDCDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466233 701180350 /nfs/dbraw/zinc/18/03/50/701180350.db2.gz PWLRGICMPXIVIQ-BLLLJJGKSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466233 701180351 /nfs/dbraw/zinc/18/03/51/701180351.db2.gz PWLRGICMPXIVIQ-BLLLJJGKSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466233 701180353 /nfs/dbraw/zinc/18/03/53/701180353.db2.gz PWLRGICMPXIVIQ-BLLLJJGKSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466233 701180355 /nfs/dbraw/zinc/18/03/55/701180355.db2.gz PWLRGICMPXIVIQ-BLLLJJGKSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466233 701180356 /nfs/dbraw/zinc/18/03/56/701180356.db2.gz PWLRGICMPXIVIQ-BLLLJJGKSA-N 2 1 306.406 1.592 20 10 DDCDMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)nn1 ZINC000841098940 702345685 /nfs/dbraw/zinc/34/56/85/702345685.db2.gz AIVQLSVDAKLOPQ-GFCCVEGCSA-N 2 1 321.812 1.933 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000843052157 702808796 /nfs/dbraw/zinc/80/87/96/702808796.db2.gz IPPQCOXFOIOLPC-UHFFFAOYSA-N 2 1 304.482 1.870 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000843120202 702823374 /nfs/dbraw/zinc/82/33/74/702823374.db2.gz VFGLRGAYMFHEQF-UHFFFAOYSA-N 2 1 306.406 1.985 20 10 DDCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843123606 702824361 /nfs/dbraw/zinc/82/43/61/702824361.db2.gz SOIWJGUZDGBERZ-LLVKDONJSA-N 2 1 313.804 1.664 20 10 DDCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843123606 702824362 /nfs/dbraw/zinc/82/43/62/702824362.db2.gz SOIWJGUZDGBERZ-LLVKDONJSA-N 2 1 313.804 1.664 20 10 DDCDMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125195 702825076 /nfs/dbraw/zinc/82/50/76/702825076.db2.gz NUGNWUYQCCXSPQ-HNNXBMFYSA-N 2 1 320.433 1.978 20 10 DDCDMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844611 703340921 /nfs/dbraw/zinc/34/09/21/703340921.db2.gz HSMPDMHOGZCRGL-CRAIPNDOSA-N 2 1 321.465 1.486 20 10 DDCDMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844611 703340924 /nfs/dbraw/zinc/34/09/24/703340924.db2.gz HSMPDMHOGZCRGL-CRAIPNDOSA-N 2 1 321.465 1.486 20 10 DDCDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000819094645 704069067 /nfs/dbraw/zinc/06/90/67/704069067.db2.gz JQMURZPFXRMNAP-SFHVURJKSA-N 2 1 301.434 1.608 20 10 DDCDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000819094645 704069069 /nfs/dbraw/zinc/06/90/69/704069069.db2.gz JQMURZPFXRMNAP-SFHVURJKSA-N 2 1 301.434 1.608 20 10 DDCDMP COc1ccc(O)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000827698699 706051853 /nfs/dbraw/zinc/05/18/53/706051853.db2.gz AYDZAXYRKVRBOI-HNNXBMFYSA-N 2 1 306.406 1.432 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C[NH3+] ZINC000923494533 714377799 /nfs/dbraw/zinc/37/77/99/714377799.db2.gz YPMGPDVCMIGEQI-NVXWUHKLSA-N 2 1 303.450 1.940 20 10 DDCDMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001206808046 872611838 /nfs/dbraw/zinc/61/18/38/872611838.db2.gz JPMPFWABIJSRPT-LSDHHAIUSA-N 3 1 318.465 1.361 20 10 DDCDMP COc1cc(C)c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222511051 880527079 /nfs/dbraw/zinc/52/70/79/880527079.db2.gz MAWLECWTANEICU-HOTGVXAUSA-N 2 1 305.422 1.235 20 10 DDCDMP Oc1cc(C(F)(F)F)ccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234987326 888306742 /nfs/dbraw/zinc/30/67/42/888306742.db2.gz FQNWARQUQINLDM-CQSZACIVSA-N 2 1 315.339 1.548 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221091 889146365 /nfs/dbraw/zinc/14/63/65/889146365.db2.gz ARBCFHCPZFNRHH-WKILWMFISA-N 3 1 318.465 1.504 20 10 DDCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(CO)CC1 ZINC001261671392 899691748 /nfs/dbraw/zinc/69/17/48/899691748.db2.gz OUGVQBHPXUHHFM-AWEZNQCLSA-N 2 1 321.440 1.828 20 10 DDCDMP COc1ccc(O)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289514331 131392576 /nfs/dbraw/zinc/39/25/76/131392576.db2.gz UYIVORVRBFXLTO-UHFFFAOYSA-N 2 1 321.465 1.859 20 10 DDCDMP COc1ccc(O)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289422066 295166010 /nfs/dbraw/zinc/16/60/10/295166010.db2.gz JIJZWHRFJUBNSI-UHFFFAOYSA-N 2 1 307.438 1.470 20 10 DDCDMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1O ZINC000180616782 524395766 /nfs/dbraw/zinc/39/57/66/524395766.db2.gz QTFFBZJFSRUSEE-MRXNPFEDSA-N 2 1 317.433 1.439 20 10 DDCDMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1O ZINC000180616782 524395775 /nfs/dbraw/zinc/39/57/75/524395775.db2.gz QTFFBZJFSRUSEE-MRXNPFEDSA-N 2 1 317.433 1.439 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCOC1 ZINC000775734158 698027072 /nfs/dbraw/zinc/02/70/72/698027072.db2.gz LYLKNOUZFRLFGA-KRWDZBQOSA-N 2 1 303.450 1.907 20 10 DDCDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2O)CC1 ZINC000733995373 699631185 /nfs/dbraw/zinc/63/11/85/699631185.db2.gz FILZNNABXFFJCX-UHFFFAOYSA-N 2 1 319.449 1.813 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC(C)([NH3+])CC3)cc2)CC1 ZINC000843104379 702819721 /nfs/dbraw/zinc/81/97/21/702819721.db2.gz GPTMFEKKFNFUIN-UHFFFAOYSA-N 2 1 302.466 1.752 20 10 DDCDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000843123076 702824099 /nfs/dbraw/zinc/82/40/99/702824099.db2.gz YYFUTGMSBGCOAH-ZDUSSCGKSA-N 2 1 309.385 1.351 20 10 DDCDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000843123076 702824101 /nfs/dbraw/zinc/82/41/01/702824101.db2.gz YYFUTGMSBGCOAH-ZDUSSCGKSA-N 2 1 309.385 1.351 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)cc2)CC1 ZINC000846102415 703238296 /nfs/dbraw/zinc/23/82/96/703238296.db2.gz FWXIJHHONSPNJD-HOIFWPIMSA-N 2 1 319.474 1.144 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)cc2)CC1 ZINC000846102414 703238413 /nfs/dbraw/zinc/23/84/13/703238413.db2.gz FWXIJHHONSPNJD-PNLZDCPESA-N 2 1 319.474 1.144 20 10 DDCDMP Cc1cccc(O)c1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000876996633 705952548 /nfs/dbraw/zinc/95/25/48/705952548.db2.gz XLJRTNTVXYBGMZ-MRXNPFEDSA-N 2 1 319.449 1.733 20 10 DDCDMP Cc1cccc(O)c1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000876996633 705952552 /nfs/dbraw/zinc/95/25/52/705952552.db2.gz XLJRTNTVXYBGMZ-MRXNPFEDSA-N 2 1 319.449 1.733 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)cc2)CC1 ZINC000827291935 705969906 /nfs/dbraw/zinc/96/99/06/705969906.db2.gz NTADKWOHIHAAAN-FUHWJXTLSA-N 2 1 301.434 1.395 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1OC ZINC000863650919 705976830 /nfs/dbraw/zinc/97/68/30/705976830.db2.gz FAFTWZAYFQAMCO-CALCHBBNSA-N 2 1 306.406 1.841 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1OC ZINC000863650919 705976832 /nfs/dbraw/zinc/97/68/32/705976832.db2.gz FAFTWZAYFQAMCO-CALCHBBNSA-N 2 1 306.406 1.841 20 10 DDCDMP CCC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1O ZINC000878150698 706307156 /nfs/dbraw/zinc/30/71/56/706307156.db2.gz ICDXJERJHPQLMD-UHFFFAOYSA-N 2 1 319.449 1.815 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000883442481 708003338 /nfs/dbraw/zinc/00/33/38/708003338.db2.gz MBFMBKXNFATIAP-CVEARBPZSA-N 2 1 318.465 1.426 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001133845959 770355581 /nfs/dbraw/zinc/35/55/81/770355581.db2.gz QRBGPKHOXILJMC-CQSZACIVSA-N 2 1 319.449 1.551 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@H](F)CC3)cc2)CC1 ZINC001139408339 860390825 /nfs/dbraw/zinc/39/08/25/860390825.db2.gz KHUGJIJXPHXWPY-QZTJIDSGSA-N 2 1 321.440 1.733 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001141030808 860766555 /nfs/dbraw/zinc/76/65/55/860766555.db2.gz LZVWCJURIBNQEE-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001141030808 860766560 /nfs/dbraw/zinc/76/65/60/860766560.db2.gz LZVWCJURIBNQEE-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC001141030808 860766564 /nfs/dbraw/zinc/76/65/64/860766564.db2.gz LZVWCJURIBNQEE-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC001141030808 860766569 /nfs/dbraw/zinc/76/65/69/860766569.db2.gz LZVWCJURIBNQEE-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146411 860795403 /nfs/dbraw/zinc/79/54/03/860795403.db2.gz UOQMZCCDGWWYCF-IYBDPMFKSA-N 2 1 301.434 1.899 20 10 DDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146411 860795409 /nfs/dbraw/zinc/79/54/09/860795409.db2.gz UOQMZCCDGWWYCF-IYBDPMFKSA-N 2 1 301.434 1.899 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146411 860795416 /nfs/dbraw/zinc/79/54/16/860795416.db2.gz UOQMZCCDGWWYCF-IYBDPMFKSA-N 2 1 301.434 1.899 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146411 860795418 /nfs/dbraw/zinc/79/54/18/860795418.db2.gz UOQMZCCDGWWYCF-IYBDPMFKSA-N 2 1 301.434 1.899 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNc3ncnc4c3C[NH2+]C4)cc2)CC1 ZINC001156655488 863233731 /nfs/dbraw/zinc/23/37/31/863233731.db2.gz DXIHDJNFOCFLBW-UHFFFAOYSA-N 2 1 324.432 1.444 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+](C)CC(C)(C)O)cc2F)CC1 ZINC001324745593 867493262 /nfs/dbraw/zinc/49/32/62/867493262.db2.gz ALDOAAWXABICLF-UHFFFAOYSA-N 2 1 309.429 1.780 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)(C)O ZINC001324745593 867493266 /nfs/dbraw/zinc/49/32/66/867493266.db2.gz ALDOAAWXABICLF-UHFFFAOYSA-N 2 1 309.429 1.780 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)(C)O ZINC001324745593 867493269 /nfs/dbraw/zinc/49/32/69/867493269.db2.gz ALDOAAWXABICLF-UHFFFAOYSA-N 2 1 309.429 1.780 20 10 DDCDMP COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC001335414476 868281645 /nfs/dbraw/zinc/28/16/45/868281645.db2.gz XFTLOQYXDWLZPI-RHSMWYFYSA-N 2 1 319.449 1.319 20 10 DDCDMP COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC001335414476 868281660 /nfs/dbraw/zinc/28/16/60/868281660.db2.gz XFTLOQYXDWLZPI-RHSMWYFYSA-N 2 1 319.449 1.319 20 10 DDCDMP Nc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC001336286963 868842504 /nfs/dbraw/zinc/84/25/04/868842504.db2.gz UXIFKGBMQPBCDB-HDICACEKSA-N 2 1 300.450 1.669 20 10 DDCDMP Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC001336286963 868842514 /nfs/dbraw/zinc/84/25/14/868842514.db2.gz UXIFKGBMQPBCDB-HDICACEKSA-N 2 1 300.450 1.669 20 10 DDCDMP Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC001336286963 868842529 /nfs/dbraw/zinc/84/25/29/868842529.db2.gz UXIFKGBMQPBCDB-HDICACEKSA-N 2 1 300.450 1.669 20 10 DDCDMP CN1CCN(c2ccc(C[NH+]3CCC(F)(C[NH3+])CC3)cc2)CC1 ZINC001222538535 880546281 /nfs/dbraw/zinc/54/62/81/880546281.db2.gz NNLKRFMCGXXSOH-UHFFFAOYSA-N 2 1 320.456 1.701 20 10 DDCDMP COc1ccc(O)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000373219508 418932419 /nfs/dbraw/zinc/93/24/19/418932419.db2.gz XPCHXTDRMQHKKN-MRXNPFEDSA-N 2 1 319.449 1.613 20 10 DDCDMP COc1ccc(O)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000373219508 418932420 /nfs/dbraw/zinc/93/24/20/418932420.db2.gz XPCHXTDRMQHKKN-MRXNPFEDSA-N 2 1 319.449 1.613 20 10 DDCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000068722636 696376190 /nfs/dbraw/zinc/37/61/90/696376190.db2.gz RAZSZFPWIARIRA-QGZVFWFLSA-N 2 1 303.450 1.955 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841031743 702316903 /nfs/dbraw/zinc/31/69/03/702316903.db2.gz WJSHGWIJBLBSLD-SJLPKXTDSA-N 2 1 302.466 1.655 20 10 DDCDMP COc1c(O)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000841078730 702337852 /nfs/dbraw/zinc/33/78/52/702337852.db2.gz JMDSLRIFROQPKZ-GFCCVEGCSA-N 2 1 307.350 1.541 20 10 DDCDMP C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000817942791 702530994 /nfs/dbraw/zinc/53/09/94/702530994.db2.gz QZOIAZGKXCBWFD-SIIHOXLZSA-N 2 1 302.466 1.967 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000843053166 702809057 /nfs/dbraw/zinc/80/90/57/702809057.db2.gz YVZVBSLYCJMGKO-QAPCUYQASA-N 3 1 302.466 1.608 20 10 DDCDMP COc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122926 702824165 /nfs/dbraw/zinc/82/41/65/702824165.db2.gz XDZYUJNUIBKUHL-CQSZACIVSA-N 2 1 321.421 1.220 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1OC ZINC000872724417 707572389 /nfs/dbraw/zinc/57/23/89/707572389.db2.gz UEGNGGPUKAXRFD-TZMCWYRMSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1OC ZINC000872724417 707572393 /nfs/dbraw/zinc/57/23/93/707572393.db2.gz UEGNGGPUKAXRFD-TZMCWYRMSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1OC ZINC000872724417 707572397 /nfs/dbraw/zinc/57/23/97/707572397.db2.gz UEGNGGPUKAXRFD-TZMCWYRMSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1OC ZINC000872724417 707572404 /nfs/dbraw/zinc/57/24/04/707572404.db2.gz UEGNGGPUKAXRFD-TZMCWYRMSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000873229044 707777689 /nfs/dbraw/zinc/77/76/89/707777689.db2.gz YZZTZUHKSQBQSD-QWRGUYRKSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000873229044 707777695 /nfs/dbraw/zinc/77/76/95/707777695.db2.gz YZZTZUHKSQBQSD-QWRGUYRKSA-N 2 1 304.312 1.970 20 10 DDCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C(F)(F)F ZINC000873228640 707778028 /nfs/dbraw/zinc/77/80/28/707778028.db2.gz VDEFPFIZXUXFDD-ZJUUUORDSA-N 2 1 318.295 1.690 20 10 DDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C(F)(F)F ZINC000873228640 707778030 /nfs/dbraw/zinc/77/80/30/707778030.db2.gz VDEFPFIZXUXFDD-ZJUUUORDSA-N 2 1 318.295 1.690 20 10 DDCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[NH+](C)C)cc1 ZINC000891248599 710141214 /nfs/dbraw/zinc/14/12/14/710141214.db2.gz ZKHDLCHVTUOWRW-DLBZAZTESA-N 2 1 318.465 1.566 20 10 DDCDMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001118900051 781268887 /nfs/dbraw/zinc/26/88/87/781268887.db2.gz HRFIISBQXKZGFZ-UHFFFAOYSA-N 2 1 313.405 1.531 20 10 DDCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC001275913758 853936918 /nfs/dbraw/zinc/93/69/18/853936918.db2.gz QRYNORGKYFYDJZ-XJKSGUPXSA-N 2 1 307.413 1.599 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccncn1 ZINC001139411632 860391055 /nfs/dbraw/zinc/39/10/55/860391055.db2.gz VYFXKFSYYMKCDA-UHFFFAOYSA-N 2 1 311.433 1.860 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccncn1 ZINC001139411632 860391061 /nfs/dbraw/zinc/39/10/61/860391061.db2.gz VYFXKFSYYMKCDA-UHFFFAOYSA-N 2 1 311.433 1.860 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC(C)(C)[NH3+])cc2F)CC1 ZINC001332014876 865503082 /nfs/dbraw/zinc/50/30/82/865503082.db2.gz XIMDKCHEPAOSJP-UHFFFAOYSA-N 3 1 308.445 1.795 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CO)cc2F)CC1 ZINC001319706017 866232928 /nfs/dbraw/zinc/23/29/28/866232928.db2.gz QSXPKUMVXIEYNH-HNNXBMFYSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CO)cc2F)CC1 ZINC001319706017 866232945 /nfs/dbraw/zinc/23/29/45/866232945.db2.gz QSXPKUMVXIEYNH-HNNXBMFYSA-N 2 1 307.413 1.534 20 10 DDCDMP C[C@H](O)C(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337282656 869415722 /nfs/dbraw/zinc/41/57/22/869415722.db2.gz TUUCNNIOGMRURZ-ZDUSSCGKSA-N 2 1 309.429 1.827 20 10 DDCDMP CN1CCOc2cc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)ccc21 ZINC001205682796 871692056 /nfs/dbraw/zinc/69/20/56/871692056.db2.gz VNXHYPDWBJBBQP-KRWDZBQOSA-N 2 1 305.422 1.191 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002830 871986152 /nfs/dbraw/zinc/98/61/52/871986152.db2.gz BPLIZNMKNKRTNG-FUHWJXTLSA-N 3 1 316.493 1.903 20 10 DDCDMP COc1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c(O)cc1O ZINC001231637135 885776614 /nfs/dbraw/zinc/77/66/14/885776614.db2.gz FWAYVUGEPKNULJ-UHFFFAOYSA-N 2 1 323.437 1.176 20 10 DDCDMP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(N)cc3)C[C@H]1C[NH2+]CC2 ZINC001236041408 889076828 /nfs/dbraw/zinc/07/68/28/889076828.db2.gz SJJMPBNADOERHY-RHSMWYFYSA-N 2 1 303.406 1.243 20 10 DDCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)CC1 ZINC000093133250 193206267 /nfs/dbraw/zinc/20/62/67/193206267.db2.gz JWSDOKUBEGKWSL-QGZVFWFLSA-N 2 1 303.450 1.912 20 10 DDCDMP CCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC000799345897 700138031 /nfs/dbraw/zinc/13/80/31/700138031.db2.gz ALMQLNYYVGNGAK-UHFFFAOYSA-N 2 1 321.465 1.907 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CC[NH+](C)CC1 ZINC000768449334 701177984 /nfs/dbraw/zinc/17/79/84/701177984.db2.gz GJFPKIROAWFLLT-INIZCTEOSA-N 2 1 306.406 1.592 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]CC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000841056114 702328144 /nfs/dbraw/zinc/32/81/44/702328144.db2.gz BZRKZHMHMPDRMD-UHFFFAOYSA-N 2 1 316.493 1.918 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000843125132 702824956 /nfs/dbraw/zinc/82/49/56/702824956.db2.gz WXNFARFEFVIUMS-OAHLLOKOSA-N 2 1 306.429 1.371 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844219639 702995050 /nfs/dbraw/zinc/99/50/50/702995050.db2.gz NDYLKIDSBKVUJR-GOEBONIOSA-N 2 1 318.465 1.428 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844219639 702995052 /nfs/dbraw/zinc/99/50/52/702995052.db2.gz NDYLKIDSBKVUJR-GOEBONIOSA-N 2 1 318.465 1.428 20 10 DDCDMP CCN(C)C[C@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846765948 703328287 /nfs/dbraw/zinc/32/82/87/703328287.db2.gz GGFJXCXCJOVURW-SFHVURJKSA-N 2 1 321.465 1.268 20 10 DDCDMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844614 703341249 /nfs/dbraw/zinc/34/12/49/703341249.db2.gz HSMPDMHOGZCRGL-YJBOKZPZSA-N 2 1 321.465 1.486 20 10 DDCDMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844614 703341252 /nfs/dbraw/zinc/34/12/52/703341252.db2.gz HSMPDMHOGZCRGL-YJBOKZPZSA-N 2 1 321.465 1.486 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](CCF)C3)cc2)CC1 ZINC000862530784 705726913 /nfs/dbraw/zinc/72/69/13/705726913.db2.gz SVAAIUXTJXXZMO-GOSISDBHSA-N 2 1 321.440 1.999 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](CCF)C3)cc2)CC1 ZINC000862530784 705726915 /nfs/dbraw/zinc/72/69/15/705726915.db2.gz SVAAIUXTJXXZMO-GOSISDBHSA-N 2 1 321.440 1.999 20 10 DDCDMP CCOCc1cc(C[NH2+]CC2([NH3+])CCOCC2)ccc1OC ZINC000863482021 705937901 /nfs/dbraw/zinc/93/79/01/705937901.db2.gz PVSLGZXZAJVFDR-UHFFFAOYSA-N 2 1 308.422 1.829 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873228574 707777707 /nfs/dbraw/zinc/77/77/07/707777707.db2.gz UFKXMPFDBPILMC-JQWIXIFHSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1ccc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873228574 707777713 /nfs/dbraw/zinc/77/77/13/707777713.db2.gz UFKXMPFDBPILMC-JQWIXIFHSA-N 2 1 304.312 1.970 20 10 DDCDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666715 710916338 /nfs/dbraw/zinc/91/63/38/710916338.db2.gz LACVIEJWWLUIHR-IRXDYDNUSA-N 2 1 318.465 1.741 20 10 DDCDMP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001268640864 840620033 /nfs/dbraw/zinc/62/00/33/840620033.db2.gz YHQBRTLGKBHTIH-ZBFHGGJFSA-N 2 1 319.449 1.692 20 10 DDCDMP COc1cccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1O ZINC001275271714 852942239 /nfs/dbraw/zinc/94/22/39/852942239.db2.gz WZUJFUZBMBVMFP-GOEBONIOSA-N 2 1 319.449 1.469 20 10 DDCDMP COc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253993 860336095 /nfs/dbraw/zinc/33/60/95/860336095.db2.gz ARLOPBZGDGNOCC-GASCZTMLSA-N 2 1 306.406 1.541 20 10 DDCDMP COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139254361 860338144 /nfs/dbraw/zinc/33/81/44/860338144.db2.gz IHQLIUGBBWBZBC-CYBMUJFWSA-N 2 1 322.405 1.457 20 10 DDCDMP C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139407705 860390228 /nfs/dbraw/zinc/39/02/28/860390228.db2.gz AYIVWMDQONVITK-WBVHZDCISA-N 2 1 303.450 1.641 20 10 DDCDMP C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139413202 860392536 /nfs/dbraw/zinc/39/25/36/860392536.db2.gz SWIUFFMLWVMWQG-CRAIPNDOSA-N 2 1 303.450 1.784 20 10 DDCDMP COc1cc(O)c(C[NH+]2CCN(CC[NH+](C)C)CC2)c(OC)c1 ZINC001141031512 860766529 /nfs/dbraw/zinc/76/65/29/860766529.db2.gz HFFONKGECYTNBV-UHFFFAOYSA-N 2 1 323.437 1.089 20 10 DDCDMP OCC[NH2+]C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001330181958 864133303 /nfs/dbraw/zinc/13/33/03/864133303.db2.gz KDVPXIPINHSEQU-UHFFFAOYSA-N 2 1 303.450 1.833 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Cl ZINC001205239430 871450459 /nfs/dbraw/zinc/45/04/59/871450459.db2.gz BACLTVNNHKUHEA-OAHLLOKOSA-N 2 1 314.813 1.730 20 10 DDCDMP N[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1F ZINC001206175120 872109207 /nfs/dbraw/zinc/10/92/07/872109207.db2.gz RPYUCLDBJDESGZ-IRXDYDNUSA-N 2 1 306.429 1.357 20 10 DDCDMP [NH3+][C@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1F ZINC001206175120 872109217 /nfs/dbraw/zinc/10/92/17/872109217.db2.gz RPYUCLDBJDESGZ-IRXDYDNUSA-N 2 1 306.429 1.357 20 10 DDCDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1F ZINC001206175120 872109226 /nfs/dbraw/zinc/10/92/26/872109226.db2.gz RPYUCLDBJDESGZ-IRXDYDNUSA-N 3 1 306.429 1.357 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1F ZINC001206175120 872109234 /nfs/dbraw/zinc/10/92/34/872109234.db2.gz RPYUCLDBJDESGZ-IRXDYDNUSA-N 3 1 306.429 1.357 20 10 DDCDMP Cc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)ccc1N(C)C ZINC001222090476 880233858 /nfs/dbraw/zinc/23/38/58/880233858.db2.gz DFTQOPKXKUGBID-UHFFFAOYSA-N 2 1 302.466 1.588 20 10 DDCDMP CCN(CC)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234980157 888290165 /nfs/dbraw/zinc/29/01/65/888290165.db2.gz FWMYSUKUMCAYCI-SFHVURJKSA-N 2 1 302.466 1.670 20 10 DDCDMP CC(C)(C)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234986345 888302061 /nfs/dbraw/zinc/30/20/61/888302061.db2.gz APOSRKGOTJACGN-GOSISDBHSA-N 2 1 303.450 1.827 20 10 DDCDMP CC[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001235764474 888935376 /nfs/dbraw/zinc/93/53/76/888935376.db2.gz FYRLLYBPCUVQBY-UHFFFAOYSA-N 3 1 305.422 1.448 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319695 889183610 /nfs/dbraw/zinc/18/36/10/889183610.db2.gz DCZCGKQXZVRGNM-HDICACEKSA-N 3 1 314.477 1.528 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)C[NH2+]CCO2 ZINC001237414455 889622892 /nfs/dbraw/zinc/62/28/92/889622892.db2.gz LBFSMECGAKQTIJ-BBRMVZONSA-N 3 1 317.433 1.448 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)C[NH2+]CCO2 ZINC001237414455 889622896 /nfs/dbraw/zinc/62/28/96/889622896.db2.gz LBFSMECGAKQTIJ-BBRMVZONSA-N 3 1 317.433 1.448 20 10 DDCDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(CC(=O)OC)cc1O ZINC001249214676 893871823 /nfs/dbraw/zinc/87/18/23/893871823.db2.gz PYSPVJQTFFWQEG-UHFFFAOYSA-N 2 1 308.422 1.881 20 10 DDCDMP COc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277662726 408986806 /nfs/dbraw/zinc/98/68/06/408986806.db2.gz ZYTSEJOLXUSWLY-AWEZNQCLSA-N 2 1 308.422 1.991 20 10 DDCDMP COc1ccc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277662726 408986809 /nfs/dbraw/zinc/98/68/09/408986809.db2.gz ZYTSEJOLXUSWLY-AWEZNQCLSA-N 2 1 308.422 1.991 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000362376483 418753585 /nfs/dbraw/zinc/75/35/85/418753585.db2.gz OYBUTHVFNLFNQO-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000362376483 418753586 /nfs/dbraw/zinc/75/35/86/418753586.db2.gz OYBUTHVFNLFNQO-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000063178662 696326706 /nfs/dbraw/zinc/32/67/06/696326706.db2.gz UNLDJSBTOWGSRT-NSHDSACASA-N 2 1 311.813 1.333 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@]1(C)C[NH3+] ZINC000841087350 702341605 /nfs/dbraw/zinc/34/16/05/702341605.db2.gz KYXSMFPEXFXTRW-CRAIPNDOSA-N 2 1 303.450 1.940 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000841100800 702346122 /nfs/dbraw/zinc/34/61/22/702346122.db2.gz KFJAVOXYVCJGER-SJLPKXTDSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000841100800 702346128 /nfs/dbraw/zinc/34/61/28/702346128.db2.gz KFJAVOXYVCJGER-SJLPKXTDSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000841100800 702346135 /nfs/dbraw/zinc/34/61/35/702346135.db2.gz KFJAVOXYVCJGER-SJLPKXTDSA-N 2 1 316.493 1.855 20 10 DDCDMP CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(O)c1 ZINC000843048156 702807789 /nfs/dbraw/zinc/80/77/89/702807789.db2.gz QHOZNQWWSVMZHQ-CQSZACIVSA-N 2 1 321.421 1.078 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843124088 702824755 /nfs/dbraw/zinc/82/47/55/702824755.db2.gz YBSBISBUBBSTIA-OAHLLOKOSA-N 2 1 306.429 1.371 20 10 DDCDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162643 702980435 /nfs/dbraw/zinc/98/04/35/702980435.db2.gz KLIISUKZRFLBOJ-DLBZAZTESA-N 2 1 318.465 1.743 20 10 DDCDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846699666 703320108 /nfs/dbraw/zinc/32/01/08/703320108.db2.gz VIFVRKYSIDLONJ-ZFWWWQNUSA-N 2 1 307.413 1.974 20 10 DDCDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846699666 703320110 /nfs/dbraw/zinc/32/01/10/703320110.db2.gz VIFVRKYSIDLONJ-ZFWWWQNUSA-N 2 1 307.413 1.974 20 10 DDCDMP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850246951 703717138 /nfs/dbraw/zinc/71/71/38/703717138.db2.gz NBVWXSUFRQYSCD-GOSISDBHSA-N 2 1 322.449 1.855 20 10 DDCDMP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850246951 703717139 /nfs/dbraw/zinc/71/71/39/703717139.db2.gz NBVWXSUFRQYSCD-GOSISDBHSA-N 2 1 322.449 1.855 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1CO ZINC000857061300 704549277 /nfs/dbraw/zinc/54/92/77/704549277.db2.gz OBGCFGZVZNRVCV-SJLPKXTDSA-N 2 1 317.477 1.889 20 10 DDCDMP CN(C)c1ccc(C=CC[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000863647858 705976333 /nfs/dbraw/zinc/97/63/33/705976333.db2.gz FHHDGJNHEAVAFB-ONEGZZNKSA-N 2 1 313.405 1.510 20 10 DDCDMP COc1cccc(O)c1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873227636 707777248 /nfs/dbraw/zinc/77/72/48/707777248.db2.gz MAQAVIHGUIHZLH-ONGXEEELSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1cccc(O)c1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873227636 707777251 /nfs/dbraw/zinc/77/72/51/707777251.db2.gz MAQAVIHGUIHZLH-ONGXEEELSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)cc1 ZINC000925710943 714919417 /nfs/dbraw/zinc/91/94/17/714919417.db2.gz CPJFYJNFOYABNY-LZALDCCUSA-N 2 1 313.445 1.860 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3O)cc2F)CC1 ZINC001202691949 749500995 /nfs/dbraw/zinc/50/09/95/749500995.db2.gz SBVZSBBKEWSWPT-NVXWUHKLSA-N 2 1 307.413 1.581 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001147885306 773269486 /nfs/dbraw/zinc/26/94/86/773269486.db2.gz LQHUCHKZPRQFIW-INIZCTEOSA-N 2 1 319.449 1.551 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326232934 861217093 /nfs/dbraw/zinc/21/70/93/861217093.db2.gz UGHATQCCATWMTH-ZBFHGGJFSA-N 3 1 320.456 1.747 20 10 DDCDMP Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1O ZINC001276117971 854769991 /nfs/dbraw/zinc/76/99/91/854769991.db2.gz HRINHJVKYFTHOL-GOEBONIOSA-N 2 1 319.449 1.474 20 10 DDCDMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(O)c1 ZINC001276169575 854874012 /nfs/dbraw/zinc/87/40/12/854874012.db2.gz SDZSJIOOFJFDLJ-CALCHBBNSA-N 2 1 303.450 1.911 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cc2F)CC1 ZINC001325626548 868193926 /nfs/dbraw/zinc/19/39/26/868193926.db2.gz QYCDQIFPBJIRIC-GOEBONIOSA-N 3 1 320.456 1.795 20 10 DDCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205274308 871477761 /nfs/dbraw/zinc/47/77/61/871477761.db2.gz VEGJIIMWEOGADM-SFHVURJKSA-N 3 1 302.466 1.800 20 10 DDCDMP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSC[NH2+]2)[NH+](C)C)cc1 ZINC001343165346 872523754 /nfs/dbraw/zinc/52/37/54/872523754.db2.gz FUXKZRATKIEWHC-GJZGRUSLSA-N 2 1 322.478 1.134 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064636 888388999 /nfs/dbraw/zinc/38/89/99/888388999.db2.gz SHHVJNMNAUWLSX-SFHVURJKSA-N 2 1 318.465 1.376 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064636 888389004 /nfs/dbraw/zinc/38/90/04/888389004.db2.gz SHHVJNMNAUWLSX-SFHVURJKSA-N 2 1 318.465 1.376 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342503 888571666 /nfs/dbraw/zinc/57/16/66/888571666.db2.gz WGWKOZUPOZKKNQ-MRXNPFEDSA-N 3 1 300.450 1.138 20 10 DDCDMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235905498 889001808 /nfs/dbraw/zinc/00/18/08/889001808.db2.gz MHMUXSDSJPRLAY-ZFWWWQNUSA-N 3 1 304.438 1.113 20 10 DDCDMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235905498 889001822 /nfs/dbraw/zinc/00/18/22/889001822.db2.gz MHMUXSDSJPRLAY-ZFWWWQNUSA-N 3 1 304.438 1.113 20 10 DDCDMP CCC[N@H+](CC(=O)OCC)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236050325 889081481 /nfs/dbraw/zinc/08/14/81/889081481.db2.gz HSGBAVOWKAGQLM-UHFFFAOYSA-N 2 1 319.449 1.871 20 10 DDCDMP CCC[N@@H+](CC(=O)OCC)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236050325 889081495 /nfs/dbraw/zinc/08/14/95/889081495.db2.gz HSGBAVOWKAGQLM-UHFFFAOYSA-N 2 1 319.449 1.871 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237414988 889624250 /nfs/dbraw/zinc/62/42/50/889624250.db2.gz OAEGWFNEXDDVGO-DOMZBBRYSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237414988 889624258 /nfs/dbraw/zinc/62/42/58/889624258.db2.gz OAEGWFNEXDDVGO-DOMZBBRYSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000368539824 418720998 /nfs/dbraw/zinc/72/09/98/418720998.db2.gz VOGAVWFZJDIIHZ-YDHLFZDLSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000368539824 418721002 /nfs/dbraw/zinc/72/10/02/418721002.db2.gz VOGAVWFZJDIIHZ-YDHLFZDLSA-N 2 1 306.406 1.915 20 10 DDCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000180084623 521692578 /nfs/dbraw/zinc/69/25/78/521692578.db2.gz MGYRPDWZXINZAA-MRXNPFEDSA-N 2 1 307.413 1.743 20 10 DDCDMP CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841006913 702307019 /nfs/dbraw/zinc/30/70/19/702307019.db2.gz KMRHDYDLTMCXJZ-OAHLLOKOSA-N 2 1 319.449 1.802 20 10 DDCDMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)nn1 ZINC000841098944 702345593 /nfs/dbraw/zinc/34/55/93/702345593.db2.gz AIVQLSVDAKLOPQ-LBPRGKRZSA-N 2 1 321.812 1.933 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CCOCC2 ZINC000843124806 702824419 /nfs/dbraw/zinc/82/44/19/702824419.db2.gz HAQUDPPQELJGML-ZDUSSCGKSA-N 2 1 320.389 1.308 20 10 DDCDMP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000835037449 707160361 /nfs/dbraw/zinc/16/03/61/707160361.db2.gz WHBJZJDDRWXWHZ-DUMMIQTOSA-N 2 1 303.450 1.812 20 10 DDCDMP CCn1cnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000902645519 710838229 /nfs/dbraw/zinc/83/82/29/710838229.db2.gz WMKLKMRCRXCNEZ-UHFFFAOYSA-N 2 1 313.449 1.945 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)cc2)CC1 ZINC000895781366 711604973 /nfs/dbraw/zinc/60/49/73/711604973.db2.gz QIZXWVGIVJMAHE-UHOSZYNNSA-N 2 1 315.461 1.641 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)cc1C ZINC001131385419 768097198 /nfs/dbraw/zinc/09/71/98/768097198.db2.gz QORJAEUAJFTBFX-UHFFFAOYSA-N 2 1 316.405 1.415 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139259009 860341266 /nfs/dbraw/zinc/34/12/66/860341266.db2.gz DRGQJRWHANJZBA-OAHLLOKOSA-N 2 1 321.421 1.173 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](NC(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139259009 860341273 /nfs/dbraw/zinc/34/12/73/860341273.db2.gz DRGQJRWHANJZBA-OAHLLOKOSA-N 2 1 321.421 1.173 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC34COC4)cc2)CC1 ZINC001139410001 860390363 /nfs/dbraw/zinc/39/03/63/860390363.db2.gz ZWYSOXUIJAVDSW-UHFFFAOYSA-N 2 1 301.434 1.803 20 10 DDCDMP Cc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)ccc1N(C)C ZINC001139672979 860449521 /nfs/dbraw/zinc/44/95/21/860449521.db2.gz MHFQGPWZSZRCKG-UHFFFAOYSA-N 2 1 304.482 1.740 20 10 DDCDMP Cc1c(O)ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001140747806 860691522 /nfs/dbraw/zinc/69/15/22/860691522.db2.gz AYNOPSKTSXPQRL-JKSUJKDBSA-N 2 1 319.449 1.616 20 10 DDCDMP CNC(=O)CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319815279 866311520 /nfs/dbraw/zinc/31/15/20/866311520.db2.gz QCWWZEWLIQGQRM-UHFFFAOYSA-N 2 1 322.428 1.145 20 10 DDCDMP CNC(=O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319815279 866311539 /nfs/dbraw/zinc/31/15/39/866311539.db2.gz QCWWZEWLIQGQRM-UHFFFAOYSA-N 2 1 322.428 1.145 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H](O)C1CC1 ZINC001323762968 866828497 /nfs/dbraw/zinc/82/84/97/866828497.db2.gz XBSPXOXNPNSPHO-SFHVURJKSA-N 2 1 321.440 1.780 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H](O)C1CC1 ZINC001323762968 866828506 /nfs/dbraw/zinc/82/85/06/866828506.db2.gz XBSPXOXNPNSPHO-SFHVURJKSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001346044487 873598852 /nfs/dbraw/zinc/59/88/52/873598852.db2.gz MVWPHTDRXHGDEJ-GDBMZVCRSA-N 2 1 321.440 1.923 20 10 DDCDMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001346044487 873598858 /nfs/dbraw/zinc/59/88/58/873598858.db2.gz MVWPHTDRXHGDEJ-GDBMZVCRSA-N 2 1 321.440 1.923 20 10 DDCDMP C[N@@H+]1CCC12CN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001276790832 877608416 /nfs/dbraw/zinc/60/84/16/877608416.db2.gz UJSOLBUEZXLERT-UHFFFAOYSA-N 2 1 318.440 1.467 20 10 DDCDMP C[N@H+]1CCC12CN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001276790832 877608419 /nfs/dbraw/zinc/60/84/19/877608419.db2.gz UJSOLBUEZXLERT-UHFFFAOYSA-N 2 1 318.440 1.467 20 10 DDCDMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(N)cc1)CC[NH2+]CC2 ZINC001222226923 880345490 /nfs/dbraw/zinc/34/54/90/880345490.db2.gz ZAWAMRLNRWMQLM-INIZCTEOSA-N 2 1 317.433 1.776 20 10 DDCDMP COc1cc(CN2CC3(C2)CC[N@@H+](C)C3)cc(C[NH+](C)C)c1O ZINC001276861155 880814120 /nfs/dbraw/zinc/81/41/20/880814120.db2.gz MZSFERNWSYRUQY-UHFFFAOYSA-N 2 1 319.449 1.600 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)CC1CC[NH2+]CC1 ZINC001235431953 888637256 /nfs/dbraw/zinc/63/72/56/888637256.db2.gz FJZMYCAUTGKGOI-UHFFFAOYSA-N 3 1 305.422 1.306 20 10 DDCDMP C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940308 889436038 /nfs/dbraw/zinc/43/60/38/889436038.db2.gz ZLFMXYGILXHQDM-RHSMWYFYSA-N 2 1 321.440 1.923 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000171846205 407782322 /nfs/dbraw/zinc/78/23/22/407782322.db2.gz JACAMZRTGRVEJU-UHFFFAOYSA-N 2 1 316.493 1.966 20 10 DDCDMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC000289947039 409290400 /nfs/dbraw/zinc/29/04/00/409290400.db2.gz XNOSFGUASHIVQT-UHFFFAOYSA-N 2 1 317.433 1.378 20 10 DDCDMP Cc1cc(O)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000843124660 702824674 /nfs/dbraw/zinc/82/46/74/702824674.db2.gz JEUASOMLOGYZKS-CYBMUJFWSA-N 2 1 309.841 1.834 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCO2 ZINC000843124600 702824777 /nfs/dbraw/zinc/82/47/77/702824777.db2.gz CXVUIQNFLRKLLZ-CHWSQXEVSA-N 2 1 304.390 1.942 20 10 DDCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]21 ZINC000872722052 707571277 /nfs/dbraw/zinc/57/12/77/707571277.db2.gz BIQAVNIIPYXFQK-WPGHFRTFSA-N 2 1 304.390 1.344 20 10 DDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]21 ZINC000872722052 707571281 /nfs/dbraw/zinc/57/12/81/707571281.db2.gz BIQAVNIIPYXFQK-WPGHFRTFSA-N 2 1 304.390 1.344 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]21 ZINC000872722052 707571284 /nfs/dbraw/zinc/57/12/84/707571284.db2.gz BIQAVNIIPYXFQK-WPGHFRTFSA-N 2 1 304.390 1.344 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]21 ZINC000872722052 707571286 /nfs/dbraw/zinc/57/12/86/707571286.db2.gz BIQAVNIIPYXFQK-WPGHFRTFSA-N 2 1 304.390 1.344 20 10 DDCDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254759 710143304 /nfs/dbraw/zinc/14/33/04/710143304.db2.gz JBAUASPRRQEDLF-KRWDZBQOSA-N 2 1 320.481 1.812 20 10 DDCDMP Cc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1N(C)C ZINC000923280459 714295872 /nfs/dbraw/zinc/29/58/72/714295872.db2.gz GQPHGKAEMIHRFK-INIZCTEOSA-N 2 1 318.465 1.348 20 10 DDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001205247444 751311055 /nfs/dbraw/zinc/31/10/55/751311055.db2.gz HTPRWTUWLYSRNN-AWEZNQCLSA-N 2 1 302.777 1.860 20 10 DDCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099462 776621478 /nfs/dbraw/zinc/62/14/78/776621478.db2.gz IBJATGLRUJVSEO-UMPJEAMMSA-N 2 1 306.406 1.736 20 10 DDCDMP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001176057759 778031752 /nfs/dbraw/zinc/03/17/52/778031752.db2.gz SCBYWCVKPXWXHM-INIZCTEOSA-N 2 1 319.449 1.551 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001151066356 862607345 /nfs/dbraw/zinc/60/73/45/862607345.db2.gz TYJSVXSHXDSTQK-OAHLLOKOSA-N 2 1 305.422 1.161 20 10 DDCDMP COc1cc(C[N@H+]2CCCC[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253088 860336072 /nfs/dbraw/zinc/33/60/72/860336072.db2.gz LFLYHIXVZLLKAX-HNNXBMFYSA-N 2 1 308.422 1.809 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@H](O)C3)cc2)CC1 ZINC001139404623 860387619 /nfs/dbraw/zinc/38/76/19/860387619.db2.gz RAXBRJAXMOAJDW-IAGOWNOFSA-N 2 1 307.413 1.343 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](F)C[C@H](CO)C3)cc2)CC1 ZINC001139408647 860390516 /nfs/dbraw/zinc/39/05/16/860390516.db2.gz OGUQRCQIDOINLR-IRXDYDNUSA-N 2 1 321.440 1.591 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)CCF)cc2F)CC1 ZINC001328728534 863179641 /nfs/dbraw/zinc/17/96/41/863179641.db2.gz SWZKTCJFSPHAFT-AWEZNQCLSA-N 2 1 313.392 1.388 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(C[NH3+])CCC1 ZINC001329433087 863663416 /nfs/dbraw/zinc/66/34/16/863663416.db2.gz KWURZWVEWJVNHM-UHFFFAOYSA-N 2 1 320.456 1.891 20 10 DDCDMP CC1=NO[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001331583873 865165901 /nfs/dbraw/zinc/16/59/01/865165901.db2.gz NUWGWNUKENUURJ-OAHLLOKOSA-N 2 1 320.412 1.832 20 10 DDCDMP C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321293495 867467025 /nfs/dbraw/zinc/46/70/25/867467025.db2.gz KTWWNHCLDRSCML-MJSXRHKHSA-N 2 1 321.440 1.994 20 10 DDCDMP Nc1ccc(N(CCO)c2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210265940 875298945 /nfs/dbraw/zinc/29/89/45/875298945.db2.gz FAVKWDAFOQYAFO-UHFFFAOYSA-N 2 1 313.405 1.204 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216663 889146462 /nfs/dbraw/zinc/14/64/62/889146462.db2.gz LEVLMRVZHOYHMR-LSDHHAIUSA-N 3 1 305.422 1.576 20 10 DDCDMP C[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216663 889146467 /nfs/dbraw/zinc/14/64/67/889146467.db2.gz LEVLMRVZHOYHMR-LSDHHAIUSA-N 3 1 305.422 1.576 20 10 DDCDMP Cc1cc(Cl)cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1O ZINC000843125170 702825030 /nfs/dbraw/zinc/82/50/30/702825030.db2.gz YVPBTUTVOXLYPZ-OAHLLOKOSA-N 2 1 309.841 1.834 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000843128887 702825422 /nfs/dbraw/zinc/82/54/22/702825422.db2.gz YNBRFEGXYMGXEV-HKUYNNGSSA-N 3 1 314.477 1.622 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000843128887 702825424 /nfs/dbraw/zinc/82/54/24/702825424.db2.gz YNBRFEGXYMGXEV-HKUYNNGSSA-N 2 1 314.477 1.622 20 10 DDCDMP Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000877022458 705961894 /nfs/dbraw/zinc/96/18/94/705961894.db2.gz VITYWKBHOREMPH-OAHLLOKOSA-N 2 1 305.422 1.378 20 10 DDCDMP COc1cccc(O)c1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873227625 707777191 /nfs/dbraw/zinc/77/71/91/707777191.db2.gz MAQAVIHGUIHZLH-GXSJLCMTSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1cccc(O)c1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873227625 707777195 /nfs/dbraw/zinc/77/71/95/707777195.db2.gz MAQAVIHGUIHZLH-GXSJLCMTSA-N 2 1 304.312 1.970 20 10 DDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001205247445 751310619 /nfs/dbraw/zinc/31/06/19/751310619.db2.gz HTPRWTUWLYSRNN-CQSZACIVSA-N 2 1 302.777 1.860 20 10 DDCDMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)C1=O ZINC001272619644 846418604 /nfs/dbraw/zinc/41/86/04/846418604.db2.gz XSHJZOJKMOXDOT-GOSISDBHSA-N 2 1 317.433 1.378 20 10 DDCDMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(O)cc1O ZINC001276091541 854749275 /nfs/dbraw/zinc/74/92/75/854749275.db2.gz RRDRLVMTGPBIFR-BETUJISGSA-N 2 1 306.406 1.880 20 10 DDCDMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(O)cc1O ZINC001276091541 854749282 /nfs/dbraw/zinc/74/92/82/854749282.db2.gz RRDRLVMTGPBIFR-BETUJISGSA-N 2 1 306.406 1.880 20 10 DDCDMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(O)cc1O ZINC001276091541 854749294 /nfs/dbraw/zinc/74/92/94/854749294.db2.gz RRDRLVMTGPBIFR-BETUJISGSA-N 2 1 306.406 1.880 20 10 DDCDMP C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139413210 860393168 /nfs/dbraw/zinc/39/31/68/860393168.db2.gz SWIUFFMLWVMWQG-MAUKXSAKSA-N 2 1 303.450 1.784 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3OCCCO3)cc2F)CC1 ZINC001333513743 866803299 /nfs/dbraw/zinc/80/32/99/866803299.db2.gz DLJMTLGLXLQAJX-UHFFFAOYSA-N 2 1 323.412 1.430 20 10 DDCDMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)NC ZINC001324677797 867448511 /nfs/dbraw/zinc/44/85/11/867448511.db2.gz YXTCXEBEDRPWIK-HNNXBMFYSA-N 2 1 322.428 1.192 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@H]1O ZINC001321504958 867634600 /nfs/dbraw/zinc/63/46/00/867634600.db2.gz OLJJORFPAMNIEK-KBXCAEBGSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@H]1O ZINC001321504958 867634604 /nfs/dbraw/zinc/63/46/04/867634604.db2.gz OLJJORFPAMNIEK-KBXCAEBGSA-N 2 1 321.440 1.780 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001203932704 870842439 /nfs/dbraw/zinc/84/24/39/870842439.db2.gz ANCAKIPMLOKTAV-RBUKOAKNSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205901739 871913004 /nfs/dbraw/zinc/91/30/04/871913004.db2.gz FWPLHAPUIPIORT-DOTOQJQBSA-N 3 1 302.466 1.655 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]3(C)CO)cc2F)CC1 ZINC001343506389 872651012 /nfs/dbraw/zinc/65/10/12/872651012.db2.gz AUMZRGMNWJIJNQ-SFHVURJKSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]3(C)CO)cc2F)CC1 ZINC001343506389 872651017 /nfs/dbraw/zinc/65/10/17/872651017.db2.gz AUMZRGMNWJIJNQ-SFHVURJKSA-N 2 1 321.440 1.924 20 10 DDCDMP Nc1ccc(N(Cc2ccccc2)C(=O)C[NH2+]CCC[NH3+])cc1 ZINC001218954848 877830322 /nfs/dbraw/zinc/83/03/22/877830322.db2.gz FHNHXZMEHDIVQH-UHFFFAOYSA-N 2 1 312.417 1.740 20 10 DDCDMP Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)C)C2)c1O ZINC001231595184 885755078 /nfs/dbraw/zinc/75/50/78/885755078.db2.gz PXEOLRQSDXMJCP-OAHLLOKOSA-N 2 1 305.422 1.343 20 10 DDCDMP Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001231595184 885755098 /nfs/dbraw/zinc/75/50/98/885755098.db2.gz PXEOLRQSDXMJCP-OAHLLOKOSA-N 2 1 305.422 1.343 20 10 DDCDMP Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001231595184 885755113 /nfs/dbraw/zinc/75/51/13/885755113.db2.gz PXEOLRQSDXMJCP-OAHLLOKOSA-N 2 1 305.422 1.343 20 10 DDCDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053969 888371747 /nfs/dbraw/zinc/37/17/47/888371747.db2.gz NBMPCSBGGJFZCR-IBGZPJMESA-N 2 1 314.477 1.814 20 10 DDCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053969 888371756 /nfs/dbraw/zinc/37/17/56/888371756.db2.gz NBMPCSBGGJFZCR-IBGZPJMESA-N 2 1 314.477 1.814 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237414990 889624041 /nfs/dbraw/zinc/62/40/41/889624041.db2.gz OAEGWFNEXDDVGO-SWLSCSKDSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237414990 889624054 /nfs/dbraw/zinc/62/40/54/889624054.db2.gz OAEGWFNEXDDVGO-SWLSCSKDSA-N 2 1 306.406 1.983 20 10 DDCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(CO)CC1 ZINC001261671393 899691671 /nfs/dbraw/zinc/69/16/71/899691671.db2.gz OUGVQBHPXUHHFM-CQSZACIVSA-N 2 1 321.440 1.828 20 10 DDCDMP CCOc1ccc(O)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289414449 131384956 /nfs/dbraw/zinc/38/49/56/131384956.db2.gz IFYHUYSWUXYQMS-UHFFFAOYSA-N 2 1 321.465 1.860 20 10 DDCDMP CCNC(=O)C[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775646754 698018614 /nfs/dbraw/zinc/01/86/14/698018614.db2.gz NVGZXYNJMSBPAB-UHFFFAOYSA-N 2 1 318.465 1.396 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)CC3CC3)cc2)CC1 ZINC000775662656 698020485 /nfs/dbraw/zinc/02/04/85/698020485.db2.gz VJDHGHXIEBHMEC-UHFFFAOYSA-N 2 1 303.450 1.643 20 10 DDCDMP C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775742625 698028372 /nfs/dbraw/zinc/02/83/72/698028372.db2.gz VTYQHIXOAIOFSL-CRAIPNDOSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775742625 698028375 /nfs/dbraw/zinc/02/83/75/698028375.db2.gz VTYQHIXOAIOFSL-CRAIPNDOSA-N 2 1 319.449 1.020 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]CCOCC[NH+](C)C)cc2)CC1 ZINC000779432263 698422849 /nfs/dbraw/zinc/42/28/49/698422849.db2.gz QKVONIKUNDPBIK-UHFFFAOYSA-N 2 1 320.481 1.106 20 10 DDCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768462585 701179895 /nfs/dbraw/zinc/17/98/95/701179895.db2.gz NMBJCBDMLKYXNB-SRCQZFHVSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768462585 701179896 /nfs/dbraw/zinc/17/98/96/701179896.db2.gz NMBJCBDMLKYXNB-SRCQZFHVSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768462585 701179899 /nfs/dbraw/zinc/17/98/99/701179899.db2.gz NMBJCBDMLKYXNB-SRCQZFHVSA-N 2 1 318.417 1.734 20 10 DDCDMP COc1c(O)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000841073467 702335682 /nfs/dbraw/zinc/33/56/82/702335682.db2.gz UUBGWJSTFCNWBS-GFCCVEGCSA-N 2 1 309.366 1.931 20 10 DDCDMP C[NH2+]CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000843048889 702807983 /nfs/dbraw/zinc/80/79/83/702807983.db2.gz COBVIVOHZKBSRK-UHFFFAOYSA-N 2 1 309.366 1.740 20 10 DDCDMP COc1cc(Br)cc(C[N@@H+](C)CCC[NH3+])c1O ZINC000843050590 702808577 /nfs/dbraw/zinc/80/85/77/702808577.db2.gz LEPIEKVWYCRCQQ-UHFFFAOYSA-N 2 1 303.200 1.944 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843051483 702808979 /nfs/dbraw/zinc/80/89/79/702808979.db2.gz JHHBIXLPHYYYQY-WMZOPIPTSA-N 3 1 316.493 1.998 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843051483 702808982 /nfs/dbraw/zinc/80/89/82/702808982.db2.gz JHHBIXLPHYYYQY-WMZOPIPTSA-N 2 1 316.493 1.998 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843051483 702808984 /nfs/dbraw/zinc/80/89/84/702808984.db2.gz JHHBIXLPHYYYQY-WMZOPIPTSA-N 2 1 316.493 1.998 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000843123090 702824146 /nfs/dbraw/zinc/82/41/46/702824146.db2.gz ZDRIWZNNRHTLLN-MRXNPFEDSA-N 2 1 319.449 1.829 20 10 DDCDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846704553 703321666 /nfs/dbraw/zinc/32/16/66/703321666.db2.gz VHXAKYDMNWSXFH-RDJZCZTQSA-N 3 1 302.466 1.750 20 10 DDCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@@H]21 ZINC000872722050 707571060 /nfs/dbraw/zinc/57/10/60/707571060.db2.gz BIQAVNIIPYXFQK-DIOULYMOSA-N 2 1 304.390 1.344 20 10 DDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@@H]21 ZINC000872722050 707571062 /nfs/dbraw/zinc/57/10/62/707571062.db2.gz BIQAVNIIPYXFQK-DIOULYMOSA-N 2 1 304.390 1.344 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@@H]21 ZINC000872722050 707571065 /nfs/dbraw/zinc/57/10/65/707571065.db2.gz BIQAVNIIPYXFQK-DIOULYMOSA-N 2 1 304.390 1.344 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@@H]21 ZINC000872722050 707571066 /nfs/dbraw/zinc/57/10/66/707571066.db2.gz BIQAVNIIPYXFQK-DIOULYMOSA-N 2 1 304.390 1.344 20 10 DDCDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921685565 713842971 /nfs/dbraw/zinc/84/29/71/713842971.db2.gz VVZWVFMXZKSOBP-UHFFFAOYSA-N 2 1 317.433 1.265 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)C3)cc2)CC1 ZINC001140301960 733500378 /nfs/dbraw/zinc/50/03/78/733500378.db2.gz FUYUMUIQYIWPPX-SFHVURJKSA-N 2 1 303.450 1.785 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[C@H]1F ZINC001206197350 777106133 /nfs/dbraw/zinc/10/61/33/777106133.db2.gz HTQHFTRLYWQTRA-ZIAGYGMSSA-N 3 1 309.385 1.135 20 10 DDCDMP CO[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116442902 780510449 /nfs/dbraw/zinc/51/04/49/780510449.db2.gz WMSXNYPHCJESBJ-HNNXBMFYSA-N 2 1 307.413 1.798 20 10 DDCDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116442902 780510451 /nfs/dbraw/zinc/51/04/51/780510451.db2.gz WMSXNYPHCJESBJ-HNNXBMFYSA-N 2 1 307.413 1.798 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c1 ZINC001275315133 852973732 /nfs/dbraw/zinc/97/37/32/852973732.db2.gz PZLXFDZSBSKBJH-CALCHBBNSA-N 2 1 319.449 1.147 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](O)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139258317 860338499 /nfs/dbraw/zinc/33/84/99/860338499.db2.gz PJSBYHMLJNZOEN-IUODEOHRSA-N 2 1 308.422 1.808 20 10 DDCDMP COc1cc(CN(C)[C@@H]2CC[N@@H+](C)C2)cc(C[NH+](C)C)c1O ZINC001139256738 860339605 /nfs/dbraw/zinc/33/96/05/860339605.db2.gz IVLAVUNDLODHCD-OAHLLOKOSA-N 2 1 307.438 1.598 20 10 DDCDMP COc1cc(C[N@H+](C)[C@@H]2CCN(C)C2)cc(C[NH+](C)C)c1O ZINC001139256738 860339612 /nfs/dbraw/zinc/33/96/12/860339612.db2.gz IVLAVUNDLODHCD-OAHLLOKOSA-N 2 1 307.438 1.598 20 10 DDCDMP COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2)cc(C[NH+](C)C)c1O ZINC001139256738 860339618 /nfs/dbraw/zinc/33/96/18/860339618.db2.gz IVLAVUNDLODHCD-OAHLLOKOSA-N 2 1 307.438 1.598 20 10 DDCDMP CO[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1F ZINC001139407954 860389969 /nfs/dbraw/zinc/38/99/69/860389969.db2.gz HSUMMICZASLRRV-DLBZAZTESA-N 2 1 307.413 1.607 20 10 DDCDMP CO[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1F ZINC001139407954 860389980 /nfs/dbraw/zinc/38/99/80/860389980.db2.gz HSUMMICZASLRRV-DLBZAZTESA-N 2 1 307.413 1.607 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@]34C[C@H]3COC4)cc2F)CC1 ZINC001333681903 866932431 /nfs/dbraw/zinc/93/24/31/866932431.db2.gz AGDWGDRIHIZYEC-YOEHRIQHSA-N 2 1 305.397 1.456 20 10 DDCDMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]21 ZINC001324377807 867239687 /nfs/dbraw/zinc/23/96/87/867239687.db2.gz HXTGMZRFZDINJX-MJGOQNOKSA-N 2 1 314.477 1.574 20 10 DDCDMP CN1CC[C@@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]21 ZINC001324377807 867239704 /nfs/dbraw/zinc/23/97/04/867239704.db2.gz HXTGMZRFZDINJX-MJGOQNOKSA-N 2 1 314.477 1.574 20 10 DDCDMP CN1CC[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]21 ZINC001324377807 867239723 /nfs/dbraw/zinc/23/97/23/867239723.db2.gz HXTGMZRFZDINJX-MJGOQNOKSA-N 2 1 314.477 1.574 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](CO)C3)cc2F)CC1 ZINC001335496764 868342322 /nfs/dbraw/zinc/34/23/22/868342322.db2.gz AYQKUJCTFDLQOK-GASCZTMLSA-N 2 1 307.413 1.438 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939579 889022332 /nfs/dbraw/zinc/02/23/32/889022332.db2.gz PXBIUMRZGZOQMO-IAGOWNOFSA-N 3 1 300.450 1.138 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@@H]1CCC[NH2+]C1 ZINC001235956969 889028231 /nfs/dbraw/zinc/02/82/31/889028231.db2.gz IZAHTVUUQWDHRN-CYBMUJFWSA-N 3 1 305.422 1.306 20 10 DDCDMP CN(Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@@H]1CCC[NH2+]C1 ZINC001235956969 889028244 /nfs/dbraw/zinc/02/82/44/889028244.db2.gz IZAHTVUUQWDHRN-CYBMUJFWSA-N 2 1 305.422 1.306 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001237224812 889554602 /nfs/dbraw/zinc/55/46/02/889554602.db2.gz JAJTWACNNCNHHJ-IBGZPJMESA-N 2 1 312.461 1.938 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237224812 889554609 /nfs/dbraw/zinc/55/46/09/889554609.db2.gz JAJTWACNNCNHHJ-IBGZPJMESA-N 2 1 312.461 1.938 20 10 DDCDMP CN1CCCc2cc(C[N@@H+](C)CCN3CC[NH2+]CC3)ccc21 ZINC000387703698 901036841 /nfs/dbraw/zinc/03/68/41/901036841.db2.gz MPKKLWYIBXJGQE-UHFFFAOYSA-N 2 1 302.466 1.406 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000368601240 418722728 /nfs/dbraw/zinc/72/27/28/418722728.db2.gz JSKXTRDGQOYCCF-WBVHZDCISA-N 2 1 303.450 1.850 20 10 DDCDMP C[N@H+](CC(=O)NC1CC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644190 698018433 /nfs/dbraw/zinc/01/84/33/698018433.db2.gz GFCAVELUQXEMCX-UHFFFAOYSA-N 2 1 316.449 1.149 20 10 DDCDMP C[N@@H+](CC(=O)NC1CC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644190 698018438 /nfs/dbraw/zinc/01/84/38/698018438.db2.gz GFCAVELUQXEMCX-UHFFFAOYSA-N 2 1 316.449 1.149 20 10 DDCDMP C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000840975903 702299201 /nfs/dbraw/zinc/29/92/01/702299201.db2.gz AKAISRHVNGSGDL-CRAIPNDOSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000840975903 702299205 /nfs/dbraw/zinc/29/92/05/702299205.db2.gz AKAISRHVNGSGDL-CRAIPNDOSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000843048776 702807593 /nfs/dbraw/zinc/80/75/93/702807593.db2.gz XTTVFVWLZXPWBU-MRXNPFEDSA-N 2 1 316.493 1.998 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843113485 702821610 /nfs/dbraw/zinc/82/16/10/702821610.db2.gz VCTHMNZJBWVJBS-LLVKDONJSA-N 2 1 309.366 1.870 20 10 DDCDMP COc1c(O)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843113485 702821613 /nfs/dbraw/zinc/82/16/13/702821613.db2.gz VCTHMNZJBWVJBS-LLVKDONJSA-N 2 1 309.366 1.870 20 10 DDCDMP COc1ccc(O)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000848533123 703561586 /nfs/dbraw/zinc/56/15/86/703561586.db2.gz DXNXJCJUCYQYKQ-HNNXBMFYSA-N 2 1 306.406 1.744 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](CCF)C3)cc2)CC1 ZINC000862530785 705726865 /nfs/dbraw/zinc/72/68/65/705726865.db2.gz SVAAIUXTJXXZMO-SFHVURJKSA-N 2 1 321.440 1.999 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](CCF)C3)cc2)CC1 ZINC000862530785 705726866 /nfs/dbraw/zinc/72/68/66/705726866.db2.gz SVAAIUXTJXXZMO-SFHVURJKSA-N 2 1 321.440 1.999 20 10 DDCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873228578 707777968 /nfs/dbraw/zinc/77/79/68/707777968.db2.gz UFKXMPFDBPILMC-PWSUYJOCSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873228578 707777970 /nfs/dbraw/zinc/77/79/70/707777970.db2.gz UFKXMPFDBPILMC-PWSUYJOCSA-N 2 1 304.312 1.970 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925501903 714874806 /nfs/dbraw/zinc/87/48/06/714874806.db2.gz JTJPDWHZYLIXOX-JAQSECSASA-N 2 1 313.445 1.609 20 10 DDCDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001170222013 766171339 /nfs/dbraw/zinc/17/13/39/766171339.db2.gz ICBXPZPSIRNKOU-UHFFFAOYSA-N 2 1 321.465 1.941 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001275952759 854006905 /nfs/dbraw/zinc/00/69/05/854006905.db2.gz MHRBXSCTTJZMFW-UHFFFAOYSA-N 2 1 319.449 1.557 20 10 DDCDMP Cc1c(O)ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1O ZINC001276117839 854770147 /nfs/dbraw/zinc/77/01/47/854770147.db2.gz AYNOPSKTSXPQRL-HOTGVXAUSA-N 2 1 319.449 1.616 20 10 DDCDMP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001276359840 855715706 /nfs/dbraw/zinc/71/57/06/855715706.db2.gz LNYFIKBVGBCCHH-XJKSGUPXSA-N 2 1 307.413 1.599 20 10 DDCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001276359840 855715713 /nfs/dbraw/zinc/71/57/13/855715713.db2.gz LNYFIKBVGBCCHH-XJKSGUPXSA-N 2 1 307.413 1.599 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC(OC)OC)cc2)CC1 ZINC001140306172 860616308 /nfs/dbraw/zinc/61/63/08/860616308.db2.gz NJQVRVOHGOWJOG-UHFFFAOYSA-N 2 1 321.465 1.879 20 10 DDCDMP CO[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323324510 866530922 /nfs/dbraw/zinc/53/09/22/866530922.db2.gz WMSXNYPHCJESBJ-OAHLLOKOSA-N 2 1 307.413 1.798 20 10 DDCDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323324510 866530925 /nfs/dbraw/zinc/53/09/25/866530925.db2.gz WMSXNYPHCJESBJ-OAHLLOKOSA-N 2 1 307.413 1.798 20 10 DDCDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](C)O ZINC001324399653 867254952 /nfs/dbraw/zinc/25/49/52/867254952.db2.gz JPZODTHISXIFKD-XJKSGUPXSA-N 2 1 309.429 1.827 20 10 DDCDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c(O)c1OC ZINC001308984469 871542467 /nfs/dbraw/zinc/54/24/67/871542467.db2.gz IGOGPNQRTOUGBN-MGPQQGTHSA-N 2 1 306.406 1.839 20 10 DDCDMP CN1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001318368040 871961052 /nfs/dbraw/zinc/96/10/52/871961052.db2.gz PNRMRDFOIWCIPR-INIZCTEOSA-N 2 1 320.456 1.761 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002831 871984576 /nfs/dbraw/zinc/98/45/76/871984576.db2.gz BPLIZNMKNKRTNG-SJLPKXTDSA-N 3 1 316.493 1.903 20 10 DDCDMP N[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001206166753 872104004 /nfs/dbraw/zinc/10/40/04/872104004.db2.gz UOSPTHCQMMMRLX-SJORKVTESA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001206166753 872104015 /nfs/dbraw/zinc/10/40/15/872104015.db2.gz UOSPTHCQMMMRLX-SJORKVTESA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001206166753 872104023 /nfs/dbraw/zinc/10/40/23/872104023.db2.gz UOSPTHCQMMMRLX-SJORKVTESA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001206166753 872104033 /nfs/dbraw/zinc/10/40/33/872104033.db2.gz UOSPTHCQMMMRLX-SJORKVTESA-N 2 1 307.413 1.784 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc2)CC1 ZINC001206623879 872484200 /nfs/dbraw/zinc/48/42/00/872484200.db2.gz QDDHYAVCXICMEE-GOSISDBHSA-N 2 1 316.493 1.999 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)cc2)CC1 ZINC001206623879 872484212 /nfs/dbraw/zinc/48/42/12/872484212.db2.gz QDDHYAVCXICMEE-GOSISDBHSA-N 2 1 316.493 1.999 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc2)CC1 ZINC001206623879 872484231 /nfs/dbraw/zinc/48/42/31/872484231.db2.gz QDDHYAVCXICMEE-GOSISDBHSA-N 2 1 316.493 1.999 20 10 DDCDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C[C@@H]12 ZINC001236818498 889370433 /nfs/dbraw/zinc/37/04/33/889370433.db2.gz IXXBOXIONMSPEY-CGTJXYLNSA-N 3 1 300.450 1.265 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1O ZINC001236931713 889427560 /nfs/dbraw/zinc/42/75/60/889427560.db2.gz KZTNREIJMRPUHT-RDTXWAMCSA-N 2 1 321.440 1.780 20 10 DDCDMP CN(CC[N@@H+](C)Cc1cc(F)ccc1O)C1CC[NH+](C)CC1 ZINC000809734803 701683654 /nfs/dbraw/zinc/68/36/54/701683654.db2.gz QYVVKDKOJCSLCF-UHFFFAOYSA-N 2 1 309.429 1.989 20 10 DDCDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466191 701180661 /nfs/dbraw/zinc/18/06/61/701180661.db2.gz NSRHXQXRHZIUJD-DYVFJYSZSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466191 701180663 /nfs/dbraw/zinc/18/06/63/701180663.db2.gz NSRHXQXRHZIUJD-DYVFJYSZSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466191 701180664 /nfs/dbraw/zinc/18/06/64/701180664.db2.gz NSRHXQXRHZIUJD-DYVFJYSZSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466191 701180667 /nfs/dbraw/zinc/18/06/67/701180667.db2.gz NSRHXQXRHZIUJD-DYVFJYSZSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466191 701180669 /nfs/dbraw/zinc/18/06/69/701180669.db2.gz NSRHXQXRHZIUJD-DYVFJYSZSA-N 2 1 320.433 1.982 20 10 DDCDMP Fc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1N1CCOCC1 ZINC000770395000 701276192 /nfs/dbraw/zinc/27/61/92/701276192.db2.gz OIFGAFLGSUITGV-GJZGRUSLSA-N 2 1 305.397 1.314 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000841078188 702338006 /nfs/dbraw/zinc/33/80/06/702338006.db2.gz FUOGEVUROQPYRD-SFHVURJKSA-N 2 1 314.477 1.670 20 10 DDCDMP [NH3+]CC1(O)CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000841106545 702349313 /nfs/dbraw/zinc/34/93/13/702349313.db2.gz BYCBDRWEDGIYTI-UHFFFAOYSA-N 2 1 315.211 1.440 20 10 DDCDMP CN1C[C@@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000814174122 702491384 /nfs/dbraw/zinc/49/13/84/702491384.db2.gz YYBXNYLVJPYONG-PKOBYXMFSA-N 2 1 314.477 1.574 20 10 DDCDMP C[N@@H+]1C[C@@H]2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000814174122 702491386 /nfs/dbraw/zinc/49/13/86/702491386.db2.gz YYBXNYLVJPYONG-PKOBYXMFSA-N 2 1 314.477 1.574 20 10 DDCDMP C[N@H+]1C[C@@H]2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000814174122 702491388 /nfs/dbraw/zinc/49/13/88/702491388.db2.gz YYBXNYLVJPYONG-PKOBYXMFSA-N 2 1 314.477 1.574 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000843059235 702809785 /nfs/dbraw/zinc/80/97/85/702809785.db2.gz HKLOWQSFAKCMHN-IACUBPJLSA-N 2 1 306.406 1.969 20 10 DDCDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1O ZINC000843123586 702824302 /nfs/dbraw/zinc/82/43/02/702824302.db2.gz SFKYIUJZFFEXTB-HNNXBMFYSA-N 2 1 309.841 1.834 20 10 DDCDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846704551 703321527 /nfs/dbraw/zinc/32/15/27/703321527.db2.gz VHXAKYDMNWSXFH-DOTOQJQBSA-N 3 1 302.466 1.750 20 10 DDCDMP Cc1cc(N(C)C)ccc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000863647875 705976057 /nfs/dbraw/zinc/97/60/57/705976057.db2.gz FVHSTRAYGKGJFO-UHFFFAOYSA-N 2 1 301.394 1.305 20 10 DDCDMP CCOc1ccc(O)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000827699497 706051954 /nfs/dbraw/zinc/05/19/54/706051954.db2.gz ICRUWDHIPAEVCR-INIZCTEOSA-N 2 1 320.433 1.822 20 10 DDCDMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001119544131 781504227 /nfs/dbraw/zinc/50/42/27/781504227.db2.gz DYLKZCUXBMWASW-ZBFHGGJFSA-N 3 1 320.456 1.523 20 10 DDCDMP COc1cc(C[NH+]2CC3(C2)CCOC3)cc(C[NH+](C)C)c1O ZINC001139253194 860336033 /nfs/dbraw/zinc/33/60/33/860336033.db2.gz PMQMSRPWYFSETG-UHFFFAOYSA-N 2 1 306.406 1.685 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139254614 860338061 /nfs/dbraw/zinc/33/80/61/860338061.db2.gz JNOLXELXZHCAIQ-DOMZBBRYSA-N 2 1 308.422 1.665 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CO)cc2)CC1 ZINC001139404423 860387911 /nfs/dbraw/zinc/38/79/11/860387911.db2.gz GICDCVRVOWLNOL-GOSISDBHSA-N 2 1 303.450 1.785 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CO)cc2)CC1 ZINC001140302707 860615525 /nfs/dbraw/zinc/61/55/25/860615525.db2.gz YKNIAHYBEGAXSA-SFHVURJKSA-N 2 1 303.450 1.785 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCNC(=O)C3)cc2)CC1 ZINC001140302355 860615554 /nfs/dbraw/zinc/61/55/54/860615554.db2.gz PENRQXMZSALROX-UHFFFAOYSA-N 2 1 316.449 1.150 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCNC(=O)C3)cc2)CC1 ZINC001140302355 860615557 /nfs/dbraw/zinc/61/55/57/860615557.db2.gz PENRQXMZSALROX-UHFFFAOYSA-N 2 1 316.449 1.150 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@@H]1C[NH3+] ZINC001205315822 871492515 /nfs/dbraw/zinc/49/25/15/871492515.db2.gz HHZQPHZDNHLGJN-DOMZBBRYSA-N 3 1 305.422 1.291 20 10 DDCDMP C[C@@H]1CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@@H]1C[NH3+] ZINC001205315822 871492523 /nfs/dbraw/zinc/49/25/23/871492523.db2.gz HHZQPHZDNHLGJN-DOMZBBRYSA-N 2 1 305.422 1.291 20 10 DDCDMP CC[C@@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318410782 872013287 /nfs/dbraw/zinc/01/32/87/872013287.db2.gz OYWBYPNOIMCDJI-QGZVFWFLSA-N 2 1 309.429 1.828 20 10 DDCDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCC[NH2+]C4)C[C@H]12 ZINC001236830345 889376894 /nfs/dbraw/zinc/37/68/94/889376894.db2.gz NGOTZPSOMDHCFW-TUKIKUTGSA-N 3 1 303.406 1.043 20 10 DDCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246927902 892992005 /nfs/dbraw/zinc/99/20/05/892992005.db2.gz YGUIGWRHNUMWPZ-KRWDZBQOSA-N 2 1 302.466 1.669 20 10 DDCDMP CCC[N@H+](CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775634210 698016871 /nfs/dbraw/zinc/01/68/71/698016871.db2.gz ORTFFYDTIXAKOR-UHFFFAOYSA-N 2 1 319.449 1.823 20 10 DDCDMP CCC[N@@H+](CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775634210 698016877 /nfs/dbraw/zinc/01/68/77/698016877.db2.gz ORTFFYDTIXAKOR-UHFFFAOYSA-N 2 1 319.449 1.823 20 10 DDCDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1O ZINC000783509334 698845585 /nfs/dbraw/zinc/84/55/85/698845585.db2.gz SOVHTLGPEPHEAJ-KBPBESRZSA-N 2 1 305.422 1.630 20 10 DDCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ncnn1C ZINC000788972383 699351986 /nfs/dbraw/zinc/35/19/86/699351986.db2.gz ZXVZCZVCBXXJQY-CQSZACIVSA-N 2 1 314.437 1.418 20 10 DDCDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000793762666 699777594 /nfs/dbraw/zinc/77/75/94/699777594.db2.gz AVIGSVOJPCSIRY-RDJZCZTQSA-N 2 1 304.390 1.346 20 10 DDCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000793762666 699777595 /nfs/dbraw/zinc/77/75/95/699777595.db2.gz AVIGSVOJPCSIRY-RDJZCZTQSA-N 2 1 304.390 1.346 20 10 DDCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000793762666 699777597 /nfs/dbraw/zinc/77/75/97/699777597.db2.gz AVIGSVOJPCSIRY-RDJZCZTQSA-N 2 1 304.390 1.346 20 10 DDCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000793762666 699777598 /nfs/dbraw/zinc/77/75/98/699777598.db2.gz AVIGSVOJPCSIRY-RDJZCZTQSA-N 2 1 304.390 1.346 20 10 DDCDMP CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(O)c1 ZINC000843048155 702807784 /nfs/dbraw/zinc/80/77/84/702807784.db2.gz QHOZNQWWSVMZHQ-AWEZNQCLSA-N 2 1 321.421 1.078 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843128314 702825397 /nfs/dbraw/zinc/82/53/97/702825397.db2.gz VTRVDQUOWMKQIF-SJLPKXTDSA-N 2 1 301.434 1.707 20 10 DDCDMP C[N@H+](Cc1ccccc1O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000843357481 702865758 /nfs/dbraw/zinc/86/57/58/702865758.db2.gz MQXXEEKZNVUEQJ-WMZOPIPTSA-N 2 1 300.402 1.755 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000844224373 702996752 /nfs/dbraw/zinc/99/67/52/702996752.db2.gz QFYVIVYSRHOPSD-SFHVURJKSA-N 2 1 318.465 1.382 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000844224373 702996754 /nfs/dbraw/zinc/99/67/54/702996754.db2.gz QFYVIVYSRHOPSD-SFHVURJKSA-N 2 1 318.465 1.382 20 10 DDCDMP COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000848911094 703602370 /nfs/dbraw/zinc/60/23/70/703602370.db2.gz PNZBVWJBTYTVCW-OAHLLOKOSA-N 2 1 306.406 1.744 20 10 DDCDMP CCN(C)C[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391880 704402687 /nfs/dbraw/zinc/40/26/87/704402687.db2.gz RTGBHFBPIZCVIX-SJORKVTESA-N 2 1 322.449 1.686 20 10 DDCDMP CCN(C)C[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391880 704402689 /nfs/dbraw/zinc/40/26/89/704402689.db2.gz RTGBHFBPIZCVIX-SJORKVTESA-N 2 1 322.449 1.686 20 10 DDCDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000863481880 705937881 /nfs/dbraw/zinc/93/78/81/705937881.db2.gz NQORRJNDKGBBHC-UHFFFAOYSA-N 2 1 323.412 1.260 20 10 DDCDMP [NH3+][C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(F)F ZINC000903919612 711331938 /nfs/dbraw/zinc/33/19/38/711331938.db2.gz FGMHGCXVYXZZQF-GFCCVEGCSA-N 2 1 317.355 1.734 20 10 DDCDMP CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1(C)C ZINC000895564726 711542753 /nfs/dbraw/zinc/54/27/53/711542753.db2.gz KRDCRKFQILWFQT-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000895564726 711542755 /nfs/dbraw/zinc/54/27/55/711542755.db2.gz KRDCRKFQILWFQT-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000895564726 711542757 /nfs/dbraw/zinc/54/27/57/711542757.db2.gz KRDCRKFQILWFQT-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001124877147 748588254 /nfs/dbraw/zinc/58/82/54/748588254.db2.gz COMNVYZUNUQZFS-HNNXBMFYSA-N 2 1 305.422 1.304 20 10 DDCDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001146712005 772924239 /nfs/dbraw/zinc/92/42/39/772924239.db2.gz YZKVFEZMLHTWBZ-UHFFFAOYSA-N 2 1 307.438 1.551 20 10 DDCDMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1=O ZINC001272619645 846418509 /nfs/dbraw/zinc/41/85/09/846418509.db2.gz XSHJZOJKMOXDOT-SFHVURJKSA-N 2 1 317.433 1.378 20 10 DDCDMP Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c(O)c1 ZINC001276169803 854873937 /nfs/dbraw/zinc/87/39/37/854873937.db2.gz WZSZUMCKFWMNJR-CALCHBBNSA-N 2 1 319.449 1.147 20 10 DDCDMP CC[N@@H+](CCN(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404484 860388712 /nfs/dbraw/zinc/38/87/12/860388712.db2.gz JOPDELHIVFEEJL-UHFFFAOYSA-N 2 1 304.482 1.822 20 10 DDCDMP CCN(CC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404484 860388721 /nfs/dbraw/zinc/38/87/21/860388721.db2.gz JOPDELHIVFEEJL-UHFFFAOYSA-N 2 1 304.482 1.822 20 10 DDCDMP CN1CC2(C1)C[NH+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139411678 860391338 /nfs/dbraw/zinc/39/13/38/860391338.db2.gz YMHYHQFXFFFPCC-UHFFFAOYSA-N 2 1 300.450 1.186 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3COCO3)cc2F)CC1 ZINC001333835110 867059805 /nfs/dbraw/zinc/05/98/05/867059805.db2.gz WBBGKWOKOXRNKL-CQSZACIVSA-N 2 1 309.385 1.040 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(CCO)C3)cc2F)CC1 ZINC001333877183 867103711 /nfs/dbraw/zinc/10/37/11/867103711.db2.gz VCVHAOQXOYLSHT-UHFFFAOYSA-N 2 1 321.440 1.828 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1OC ZINC001205248096 871459844 /nfs/dbraw/zinc/45/98/44/871459844.db2.gz MMAJRCSFAPRWFP-INIZCTEOSA-N 2 1 310.394 1.085 20 10 DDCDMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c(O)c1OC ZINC001308984388 871542407 /nfs/dbraw/zinc/54/24/07/871542407.db2.gz IGOGPNQRTOUGBN-BFHYXJOUSA-N 2 1 306.406 1.839 20 10 DDCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205912961 871923298 /nfs/dbraw/zinc/92/32/98/871923298.db2.gz FKIREZCQJZRGLV-HUUCEWRRSA-N 3 1 318.465 1.361 20 10 DDCDMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205939375 871939156 /nfs/dbraw/zinc/93/91/56/871939156.db2.gz QKTORDVWAVJMOU-HNNXBMFYSA-N 3 1 304.438 1.115 20 10 DDCDMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205939375 871939162 /nfs/dbraw/zinc/93/91/62/871939162.db2.gz QKTORDVWAVJMOU-HNNXBMFYSA-N 3 1 304.438 1.115 20 10 DDCDMP N[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001206166749 872103681 /nfs/dbraw/zinc/10/36/81/872103681.db2.gz UOSPTHCQMMMRLX-DLBZAZTESA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001206166749 872103687 /nfs/dbraw/zinc/10/36/87/872103687.db2.gz UOSPTHCQMMMRLX-DLBZAZTESA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001206166749 872103695 /nfs/dbraw/zinc/10/36/95/872103695.db2.gz UOSPTHCQMMMRLX-DLBZAZTESA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001206166749 872103705 /nfs/dbraw/zinc/10/37/05/872103705.db2.gz UOSPTHCQMMMRLX-DLBZAZTESA-N 2 1 307.413 1.784 20 10 DDCDMP CN1CC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001355300601 878492414 /nfs/dbraw/zinc/49/24/14/878492414.db2.gz BGLRCRHCVPXBKN-HNNXBMFYSA-N 2 1 306.429 1.371 20 10 DDCDMP CC[NH2+]C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235726917 888918105 /nfs/dbraw/zinc/91/81/05/888918105.db2.gz QGPXWTXJJRDTBZ-UHFFFAOYSA-N 3 1 302.466 1.670 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315686 889184605 /nfs/dbraw/zinc/18/46/05/889184605.db2.gz MNVXEHZVTCJSKI-HDICACEKSA-N 2 1 315.461 1.955 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CO)c(F)c2)CC1 ZINC001236935991 889430776 /nfs/dbraw/zinc/43/07/76/889430776.db2.gz NFPWYFGAGDXCDP-MRXNPFEDSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]34CCOC4)c(F)c2)CC1 ZINC001236945086 889434376 /nfs/dbraw/zinc/43/43/76/889434376.db2.gz HUPZVOSOHLYNAK-SFHVURJKSA-N 2 1 319.424 1.942 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]34CCOC4)c(F)c2)CC1 ZINC001236945086 889434389 /nfs/dbraw/zinc/43/43/89/889434389.db2.gz HUPZVOSOHLYNAK-SFHVURJKSA-N 2 1 319.424 1.942 20 10 DDCDMP CC[C@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176362 892463937 /nfs/dbraw/zinc/46/39/37/892463937.db2.gz WXRORDCEEYSTGZ-IRXDYDNUSA-N 2 1 302.466 1.716 20 10 DDCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)CC1 ZINC000093132618 193206429 /nfs/dbraw/zinc/20/64/29/193206429.db2.gz UXBQDUPAHYWKAZ-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1(O)CCC1 ZINC000761220035 700851307 /nfs/dbraw/zinc/85/13/07/700851307.db2.gz SHVZPCRMGOZGOG-UHFFFAOYSA-N 2 1 303.450 1.785 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841083351 702339453 /nfs/dbraw/zinc/33/94/53/702339453.db2.gz BRQAFWTWZNMCOI-IAGOWNOFSA-N 2 1 302.466 1.655 20 10 DDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000817976914 702541531 /nfs/dbraw/zinc/54/15/31/702541531.db2.gz WTOQTWNEJXZGRE-XHDPSFHLSA-N 2 1 304.390 1.972 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000843118155 702822968 /nfs/dbraw/zinc/82/29/68/702822968.db2.gz AADBHYZTCKWDBY-KRWDZBQOSA-N 2 1 306.406 1.985 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122776 702824087 /nfs/dbraw/zinc/82/40/87/702824087.db2.gz ULHLNIXYGSEUMU-QGZVFWFLSA-N 2 1 318.465 1.572 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843128312 702825455 /nfs/dbraw/zinc/82/54/55/702825455.db2.gz VTRVDQUOWMKQIF-FUHWJXTLSA-N 2 1 301.434 1.707 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844222394 702995986 /nfs/dbraw/zinc/99/59/86/702995986.db2.gz DFNSCMLBPPJYRG-HOCLYGCPSA-N 2 1 318.465 1.380 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844222394 702995988 /nfs/dbraw/zinc/99/59/88/702995988.db2.gz DFNSCMLBPPJYRG-HOCLYGCPSA-N 2 1 318.465 1.380 20 10 DDCDMP CCN(C)C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391879 704402763 /nfs/dbraw/zinc/40/27/63/704402763.db2.gz RTGBHFBPIZCVIX-IRXDYDNUSA-N 2 1 322.449 1.686 20 10 DDCDMP CCN(C)C[C@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391879 704402764 /nfs/dbraw/zinc/40/27/64/704402764.db2.gz RTGBHFBPIZCVIX-IRXDYDNUSA-N 2 1 322.449 1.686 20 10 DDCDMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882991427 707888309 /nfs/dbraw/zinc/88/83/09/707888309.db2.gz ZTWRSKPNPBYFTA-AWEZNQCLSA-N 2 1 314.376 1.997 20 10 DDCDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882991427 707888315 /nfs/dbraw/zinc/88/83/15/707888315.db2.gz ZTWRSKPNPBYFTA-AWEZNQCLSA-N 2 1 314.376 1.997 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)cc2F)CC1 ZINC001118664510 781199975 /nfs/dbraw/zinc/19/99/75/781199975.db2.gz XCXFOYIHACYOQZ-MAUKXSAKSA-N 2 1 319.424 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)cc2F)CC1 ZINC001118664510 781199981 /nfs/dbraw/zinc/19/99/81/781199981.db2.gz XCXFOYIHACYOQZ-MAUKXSAKSA-N 2 1 319.424 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CCO)cc2F)CC1 ZINC001328091534 862686648 /nfs/dbraw/zinc/68/66/48/862686648.db2.gz OUYNODWZAKZKSQ-INIZCTEOSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CCO)cc2F)CC1 ZINC001328091534 862686652 /nfs/dbraw/zinc/68/66/52/862686652.db2.gz OUYNODWZAKZKSQ-INIZCTEOSA-N 2 1 321.440 1.924 20 10 DDCDMP COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139258851 860340536 /nfs/dbraw/zinc/34/05/36/860340536.db2.gz YOVZDVKSEKICEN-IYBDPMFKSA-N 2 1 319.449 1.456 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC(=O)CC3)cc2)CC1 ZINC001139408782 860389512 /nfs/dbraw/zinc/38/95/12/860389512.db2.gz QUEOSYVYSNDTOE-UHFFFAOYSA-N 2 1 301.434 1.993 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN3C[C@@H]4C[C@H]3C[N@H+]4C)cc2)CC1 ZINC001140306925 860616203 /nfs/dbraw/zinc/61/62/03/860616203.db2.gz ZNXPOJYDYODJJE-OALUTQOASA-N 2 1 314.477 1.717 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CN4C)cc2)CC1 ZINC001140306925 860616207 /nfs/dbraw/zinc/61/62/07/860616207.db2.gz ZNXPOJYDYODJJE-OALUTQOASA-N 2 1 314.477 1.717 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3CN4C)cc2)CC1 ZINC001140306925 860616212 /nfs/dbraw/zinc/61/62/12/860616212.db2.gz ZNXPOJYDYODJJE-OALUTQOASA-N 2 1 314.477 1.717 20 10 DDCDMP C[NH2+][C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001332339647 865772281 /nfs/dbraw/zinc/77/22/81/865772281.db2.gz MYJXUSLWFMZWNI-INIZCTEOSA-N 2 1 320.456 1.761 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC[NH2+]CC3)cc2F)CC1 ZINC001332339876 865772448 /nfs/dbraw/zinc/77/24/48/865772448.db2.gz RGXMWQWXJNKXNJ-UHFFFAOYSA-N 2 1 306.429 1.373 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001203672884 870706382 /nfs/dbraw/zinc/70/63/82/870706382.db2.gz HMHJNRXAIJWPAD-DLBZAZTESA-N 2 1 319.449 1.611 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@H](O)C3)cc2F)CC1 ZINC001343495511 872645989 /nfs/dbraw/zinc/64/59/89/872645989.db2.gz CAQZQSHUWHTWLH-HOCLYGCPSA-N 2 1 321.440 1.828 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094488 888409301 /nfs/dbraw/zinc/40/93/01/888409301.db2.gz XVKDIHVKGJIMCF-UHFFFAOYSA-N 3 1 314.477 1.672 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@@H]1O ZINC001236936995 889433094 /nfs/dbraw/zinc/43/30/94/889433094.db2.gz WSCMTYAWXXLOTR-KDOFPFPSSA-N 2 1 321.440 1.780 20 10 DDCDMP COc1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)c(O)c(OC)c1 ZINC001237671449 889793368 /nfs/dbraw/zinc/79/33/68/889793368.db2.gz BYPRJZNVESAGEQ-UHFFFAOYSA-N 2 1 323.437 1.089 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246788150 892900558 /nfs/dbraw/zinc/90/05/58/892900558.db2.gz FZCBFKALAWGNMV-GOSISDBHSA-N 2 1 314.477 1.813 20 10 DDCDMP Nc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001262487156 900194228 /nfs/dbraw/zinc/19/42/28/900194228.db2.gz LQTPRSGLTKHXMN-WBVHZDCISA-N 2 1 316.449 1.349 20 10 DDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC[NH2+]CC1 ZINC000178978105 407678668 /nfs/dbraw/zinc/67/86/68/407678668.db2.gz XBZIQVLWWHGOFR-UHFFFAOYSA-N 2 1 303.450 1.955 20 10 DDCDMP Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(O)c1C ZINC000273600676 408259220 /nfs/dbraw/zinc/25/92/20/408259220.db2.gz RWEAEBNPNYPPTE-HNNXBMFYSA-N 2 1 319.449 1.824 20 10 DDCDMP Fc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1N1CCOCC1 ZINC000770395011 701276339 /nfs/dbraw/zinc/27/63/39/701276339.db2.gz OIFGAFLGSUITGV-HUUCEWRRSA-N 2 1 305.397 1.314 20 10 DDCDMP COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1O ZINC000841077543 702338020 /nfs/dbraw/zinc/33/80/20/702338020.db2.gz CIODYZCIIRKXFL-YUMQZZPRSA-N 2 1 303.200 1.989 20 10 DDCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000843051676 702808862 /nfs/dbraw/zinc/80/88/62/702808862.db2.gz BQUNXQPSWSXZIC-SNAWJCMRSA-N 2 1 302.466 1.603 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000843117308 702822405 /nfs/dbraw/zinc/82/24/05/702822405.db2.gz OILJDVIAPUTQEB-SFHVURJKSA-N 3 1 302.466 1.609 20 10 DDCDMP [NH3+]Cc1ccc2c(c1)CCCN2CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000843351995 702864620 /nfs/dbraw/zinc/86/46/20/702864620.db2.gz OKJLVDLQOLYGEF-CALCHBBNSA-N 2 1 301.434 1.761 20 10 DDCDMP COc1cccc(O)c1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000827856592 706076990 /nfs/dbraw/zinc/07/69/90/706076990.db2.gz QKGKMJFLXMJPGH-AWEZNQCLSA-N 2 1 308.422 1.943 20 10 DDCDMP COc1cccc(O)c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000827856592 706076992 /nfs/dbraw/zinc/07/69/92/706076992.db2.gz QKGKMJFLXMJPGH-AWEZNQCLSA-N 2 1 308.422 1.943 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc(OC)c1O)C2 ZINC000903978273 711355374 /nfs/dbraw/zinc/35/53/74/711355374.db2.gz CXOWBFKYOSXYRG-AHIWAGSCSA-N 2 1 320.389 1.113 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC(C)([NH3+])CC3)cc2F)CC1 ZINC001326236816 861222344 /nfs/dbraw/zinc/22/23/44/861222344.db2.gz QCEMJBIMBGZNSP-UHFFFAOYSA-N 2 1 320.456 1.891 20 10 DDCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138499600 860118973 /nfs/dbraw/zinc/11/89/73/860118973.db2.gz VDQKUMYWNOVKIW-IEBWSBKVSA-N 2 1 315.461 1.907 20 10 DDCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138499600 860118977 /nfs/dbraw/zinc/11/89/77/860118977.db2.gz VDQKUMYWNOVKIW-IEBWSBKVSA-N 2 1 315.461 1.907 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(O)c1 ZINC001205591338 871646327 /nfs/dbraw/zinc/64/63/27/871646327.db2.gz KRWUJCNQOIXIDL-KRWDZBQOSA-N 2 1 324.396 1.761 20 10 DDCDMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]1O ZINC001205967667 871963726 /nfs/dbraw/zinc/96/37/26/871963726.db2.gz UZDRPRURSCPAEU-NXEZZACHSA-N 2 1 306.284 1.185 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]1O ZINC001205967667 871963738 /nfs/dbraw/zinc/96/37/38/871963738.db2.gz UZDRPRURSCPAEU-NXEZZACHSA-N 2 1 306.284 1.185 20 10 DDCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)ccc2O1 ZINC001206490478 872374765 /nfs/dbraw/zinc/37/47/65/872374765.db2.gz DRWYSHSNYXKGRP-GXTWGEPZSA-N 2 1 304.390 1.328 20 10 DDCDMP Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235059588 888381527 /nfs/dbraw/zinc/38/15/27/888381527.db2.gz DNMSWJQERIMKQZ-AWEZNQCLSA-N 2 1 315.339 1.548 20 10 DDCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235059588 888381540 /nfs/dbraw/zinc/38/15/40/888381540.db2.gz DNMSWJQERIMKQZ-AWEZNQCLSA-N 2 1 315.339 1.548 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184868 888460904 /nfs/dbraw/zinc/46/09/04/888460904.db2.gz QEGLHJFJBRJUIR-SJORKVTESA-N 3 1 300.450 1.138 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184868 888460909 /nfs/dbraw/zinc/46/09/09/888460909.db2.gz QEGLHJFJBRJUIR-SJORKVTESA-N 2 1 300.450 1.138 20 10 DDCDMP CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001236786880 889353090 /nfs/dbraw/zinc/35/30/90/889353090.db2.gz FDXLUBZZRDGSNY-MRXNPFEDSA-N 2 1 319.449 1.597 20 10 DDCDMP CCc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001236786880 889353108 /nfs/dbraw/zinc/35/31/08/889353108.db2.gz FDXLUBZZRDGSNY-MRXNPFEDSA-N 2 1 319.449 1.597 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(CO)CCC1 ZINC001261693103 899710986 /nfs/dbraw/zinc/71/09/86/899710986.db2.gz FYEKKPJVIFVYHN-UHFFFAOYSA-N 2 1 321.440 1.924 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(CO)CCC1 ZINC001261693103 899710990 /nfs/dbraw/zinc/71/09/90/899710990.db2.gz FYEKKPJVIFVYHN-UHFFFAOYSA-N 2 1 321.440 1.924 20 10 DDCDMP COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648089 698019031 /nfs/dbraw/zinc/01/90/31/698019031.db2.gz QLWNZCCWVDWUNY-KRWDZBQOSA-N 2 1 317.433 1.576 20 10 DDCDMP COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648089 698019033 /nfs/dbraw/zinc/01/90/33/698019033.db2.gz QLWNZCCWVDWUNY-KRWDZBQOSA-N 2 1 317.433 1.576 20 10 DDCDMP COc1cccc(O)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000809743478 701684989 /nfs/dbraw/zinc/68/49/89/701684989.db2.gz SDYBTQLABRLZFQ-UHFFFAOYSA-N 2 1 307.438 1.470 20 10 DDCDMP COc1c(O)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000841078731 702338093 /nfs/dbraw/zinc/33/80/93/702338093.db2.gz JMDSLRIFROQPKZ-LBPRGKRZSA-N 2 1 307.350 1.541 20 10 DDCDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943879 702531049 /nfs/dbraw/zinc/53/10/49/702531049.db2.gz WIUKRQXWNHWRAK-BVGQSLNGSA-N 2 1 302.466 1.825 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000843059237 702809889 /nfs/dbraw/zinc/80/98/89/702809889.db2.gz HKLOWQSFAKCMHN-YUTCNCBUSA-N 2 1 306.406 1.969 20 10 DDCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123617 702824652 /nfs/dbraw/zinc/82/46/52/702824652.db2.gz SXMBOCNPKHIIET-LLHWWHOWSA-N 2 1 314.477 1.745 20 10 DDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844221161 702995813 /nfs/dbraw/zinc/99/58/13/702995813.db2.gz IVUHNNTWCQXFQF-ZFWWWQNUSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844221161 702995814 /nfs/dbraw/zinc/99/58/14/702995814.db2.gz IVUHNNTWCQXFQF-ZFWWWQNUSA-N 2 1 304.438 1.038 20 10 DDCDMP COc1c([O-])c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000844901972 703082364 /nfs/dbraw/zinc/08/23/64/703082364.db2.gz KYJPWKSYIFEEJQ-LRDDRELGSA-N 2 1 321.377 1.870 20 10 DDCDMP COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000844901972 703082367 /nfs/dbraw/zinc/08/23/67/703082367.db2.gz KYJPWKSYIFEEJQ-LRDDRELGSA-N 2 1 321.377 1.870 20 10 DDCDMP COc1c(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000844901972 703082370 /nfs/dbraw/zinc/08/23/70/703082370.db2.gz KYJPWKSYIFEEJQ-LRDDRELGSA-N 2 1 321.377 1.870 20 10 DDCDMP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000853247893 704224623 /nfs/dbraw/zinc/22/46/23/704224623.db2.gz FLLSZXODUXVMKR-UHFFFAOYSA-N 2 1 323.412 1.612 20 10 DDCDMP CCC[N@@H+](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852236 707393724 /nfs/dbraw/zinc/39/37/24/707393724.db2.gz ZRSKIKOJHPNQIL-UHFFFAOYSA-N 2 1 318.465 1.396 20 10 DDCDMP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1N1CCOCC1 ZINC000904420633 711855916 /nfs/dbraw/zinc/85/59/16/711855916.db2.gz CGVQGHNNIDHVJU-JKSUJKDBSA-N 2 1 319.424 1.704 20 10 DDCDMP Fc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1N1CCOCC1 ZINC000904420633 711855918 /nfs/dbraw/zinc/85/59/18/711855918.db2.gz CGVQGHNNIDHVJU-JKSUJKDBSA-N 2 1 319.424 1.704 20 10 DDCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099461 776620746 /nfs/dbraw/zinc/62/07/46/776620746.db2.gz IBJATGLRUJVSEO-LOUJCGABSA-N 2 1 306.406 1.736 20 10 DDCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cc(O)c(O)cc1O)C2 ZINC001172108130 776648152 /nfs/dbraw/zinc/64/81/52/776648152.db2.gz QDUPIKIUXGOMLB-ZSOGYDGISA-N 2 1 306.406 1.951 20 10 DDCDMP COc1ccc(C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001176975032 778360478 /nfs/dbraw/zinc/36/04/78/778360478.db2.gz IAVLZPIHLMNJAA-UHFFFAOYSA-N 2 1 321.465 1.940 20 10 DDCDMP C[C@@H](O)CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116444333 780509684 /nfs/dbraw/zinc/50/96/84/780509684.db2.gz ZCDQRYZZKILBTF-CQSZACIVSA-N 2 1 309.429 1.780 20 10 DDCDMP C[C@@H](O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116444333 780509688 /nfs/dbraw/zinc/50/96/88/780509688.db2.gz ZCDQRYZZKILBTF-CQSZACIVSA-N 2 1 309.429 1.780 20 10 DDCDMP CC[N@H+]1CCCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139253551 860337021 /nfs/dbraw/zinc/33/70/21/860337021.db2.gz XURKASZDWHABMD-UHFFFAOYSA-N 2 1 321.465 1.990 20 10 DDCDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204273664 871033067 /nfs/dbraw/zinc/03/30/67/871033067.db2.gz DTFKDERHXPUDKO-UHFFFAOYSA-N 2 1 305.378 1.728 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(Cl)c1 ZINC001205248051 871459011 /nfs/dbraw/zinc/45/90/11/871459011.db2.gz LWGNGKHVYMWCGO-OAHLLOKOSA-N 2 1 314.813 1.730 20 10 DDCDMP CC(C)(C)c1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235058985 888381940 /nfs/dbraw/zinc/38/19/40/888381940.db2.gz BLEZSVAVNLAIMP-SFHVURJKSA-N 2 1 303.450 1.827 20 10 DDCDMP CC(C)(C)c1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235058985 888381946 /nfs/dbraw/zinc/38/19/46/888381946.db2.gz BLEZSVAVNLAIMP-SFHVURJKSA-N 2 1 303.450 1.827 20 10 DDCDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)CC1 ZINC000093133251 193205477 /nfs/dbraw/zinc/20/54/77/193205477.db2.gz JWSDOKUBEGKWSL-KRWDZBQOSA-N 2 1 303.450 1.912 20 10 DDCDMP COc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277662730 408987362 /nfs/dbraw/zinc/98/73/62/408987362.db2.gz ZYTSEJOLXUSWLY-CQSZACIVSA-N 2 1 308.422 1.991 20 10 DDCDMP COc1ccc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277662730 408987364 /nfs/dbraw/zinc/98/73/64/408987364.db2.gz ZYTSEJOLXUSWLY-CQSZACIVSA-N 2 1 308.422 1.991 20 10 DDCDMP Cc1ccc(O)c(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000093047102 696598940 /nfs/dbraw/zinc/59/89/40/696598940.db2.gz NRAZPAPQYIWQAD-UHFFFAOYSA-N 2 1 317.433 1.441 20 10 DDCDMP CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775737419 698027525 /nfs/dbraw/zinc/02/75/25/698027525.db2.gz UTXUELJTICCOAM-HNNXBMFYSA-N 2 1 318.465 1.252 20 10 DDCDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)ccc1O ZINC000756551631 700627479 /nfs/dbraw/zinc/62/74/79/700627479.db2.gz VYMNABGMMPMYMK-STQMWFEESA-N 2 1 323.412 1.769 20 10 DDCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000756550932 700627516 /nfs/dbraw/zinc/62/75/16/700627516.db2.gz UNZLAAMZERWXGP-HUUCEWRRSA-N 2 1 319.449 1.939 20 10 DDCDMP CN(C)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])c(C(F)(F)F)c1 ZINC000841091634 702342524 /nfs/dbraw/zinc/34/25/24/702342524.db2.gz CMUGEUDORFUNLC-GFCCVEGCSA-N 2 1 305.344 1.523 20 10 DDCDMP CN(C)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])c(C(F)(F)F)c1 ZINC000841091634 702342530 /nfs/dbraw/zinc/34/25/30/702342530.db2.gz CMUGEUDORFUNLC-GFCCVEGCSA-N 2 1 305.344 1.523 20 10 DDCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000843053043 702809111 /nfs/dbraw/zinc/80/91/11/702809111.db2.gz WDLHUYIHGIPTAF-HKUYNNGSSA-N 3 1 316.493 1.998 20 10 DDCDMP CCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000850366822 703727897 /nfs/dbraw/zinc/72/78/97/703727897.db2.gz KWAKTUTUFOPYDP-UHFFFAOYSA-N 2 1 314.437 1.340 20 10 DDCDMP COCC[N@H+](CCF)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827053778 705918587 /nfs/dbraw/zinc/91/85/87/705918587.db2.gz GHUFQSCJRQZHHB-UHFFFAOYSA-N 2 1 309.429 1.856 20 10 DDCDMP COCC[N@@H+](CCF)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827053778 705918603 /nfs/dbraw/zinc/91/86/03/705918603.db2.gz GHUFQSCJRQZHHB-UHFFFAOYSA-N 2 1 309.429 1.856 20 10 DDCDMP COc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000827855494 706076971 /nfs/dbraw/zinc/07/69/71/706076971.db2.gz FAXIGWLEPOHODO-OAHLLOKOSA-N 2 1 308.422 1.943 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)C3CCC3)cc2F)CC1 ZINC001118420138 781119239 /nfs/dbraw/zinc/11/92/39/781119239.db2.gz MLSCWXNUILXDOP-KRWDZBQOSA-N 2 1 321.440 1.828 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc2F)CC1 ZINC001326503774 861411638 /nfs/dbraw/zinc/41/16/38/861411638.db2.gz VGMFVJUGVCKBLW-UHFFFAOYSA-N 2 1 322.472 1.994 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)(C)C[NH3+] ZINC001326503774 861411643 /nfs/dbraw/zinc/41/16/43/861411643.db2.gz VGMFVJUGVCKBLW-UHFFFAOYSA-N 3 1 322.472 1.994 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)(C)C[NH3+] ZINC001326503774 861411657 /nfs/dbraw/zinc/41/16/57/861411657.db2.gz VGMFVJUGVCKBLW-UHFFFAOYSA-N 3 1 322.472 1.994 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001151066355 862606224 /nfs/dbraw/zinc/60/62/24/862606224.db2.gz TYJSVXSHXDSTQK-HNNXBMFYSA-N 2 1 305.422 1.161 20 10 DDCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)C(=O)OC ZINC001139411466 860389693 /nfs/dbraw/zinc/38/96/93/860389693.db2.gz NMOWMPLUKYVFSB-HNNXBMFYSA-N 2 1 319.449 1.822 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)C(=O)OC ZINC001139411466 860389705 /nfs/dbraw/zinc/38/97/05/860389705.db2.gz NMOWMPLUKYVFSB-HNNXBMFYSA-N 2 1 319.449 1.822 20 10 DDCDMP C[N@@H+]1[C@@H]2CC[C@H]1CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139410767 860391437 /nfs/dbraw/zinc/39/14/37/860391437.db2.gz CUZPINHWXYHUJB-KDURUIRLSA-N 2 1 314.477 1.717 20 10 DDCDMP CN1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139410767 860391440 /nfs/dbraw/zinc/39/14/40/860391440.db2.gz CUZPINHWXYHUJB-KDURUIRLSA-N 2 1 314.477 1.717 20 10 DDCDMP CN1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139410767 860391449 /nfs/dbraw/zinc/39/14/49/860391449.db2.gz CUZPINHWXYHUJB-KDURUIRLSA-N 2 1 314.477 1.717 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+](CCCO)C3CC3)cc2F)CC1 ZINC001319710635 866240611 /nfs/dbraw/zinc/24/06/11/866240611.db2.gz BOPDCCSUVWDYHT-UHFFFAOYSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCCO)C3CC3)cc2F)CC1 ZINC001319710635 866240625 /nfs/dbraw/zinc/24/06/25/866240625.db2.gz BOPDCCSUVWDYHT-UHFFFAOYSA-N 2 1 321.440 1.924 20 10 DDCDMP CC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319922165 866386928 /nfs/dbraw/zinc/38/69/28/866386928.db2.gz WXLMEQRBHUWEQC-UHFFFAOYSA-N 2 1 320.456 1.715 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(O)C3)cc2F)CC1 ZINC001337042021 869284333 /nfs/dbraw/zinc/28/43/33/869284333.db2.gz GASBBKCUBYKTTB-GOSISDBHSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(O)C3)cc2F)CC1 ZINC001337042021 869284347 /nfs/dbraw/zinc/28/43/47/869284347.db2.gz GASBBKCUBYKTTB-GOSISDBHSA-N 2 1 321.440 1.924 20 10 DDCDMP N[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001206175121 872110362 /nfs/dbraw/zinc/11/03/62/872110362.db2.gz RPYUCLDBJDESGZ-SJORKVTESA-N 2 1 306.429 1.357 20 10 DDCDMP [NH3+][C@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001206175121 872110379 /nfs/dbraw/zinc/11/03/79/872110379.db2.gz RPYUCLDBJDESGZ-SJORKVTESA-N 2 1 306.429 1.357 20 10 DDCDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001206175121 872110390 /nfs/dbraw/zinc/11/03/90/872110390.db2.gz RPYUCLDBJDESGZ-SJORKVTESA-N 3 1 306.429 1.357 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001206175121 872110402 /nfs/dbraw/zinc/11/04/02/872110402.db2.gz RPYUCLDBJDESGZ-SJORKVTESA-N 3 1 306.429 1.357 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235050463 888366721 /nfs/dbraw/zinc/36/67/21/888366721.db2.gz DJPGLDKEXSHQHH-GOSISDBHSA-N 2 1 302.466 1.670 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235050463 888366733 /nfs/dbraw/zinc/36/67/33/888366733.db2.gz DJPGLDKEXSHQHH-GOSISDBHSA-N 2 1 302.466 1.670 20 10 DDCDMP CC(C)(C)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235059730 888382172 /nfs/dbraw/zinc/38/21/72/888382172.db2.gz FHMXWPZXUBYQSU-GOSISDBHSA-N 2 1 303.450 1.827 20 10 DDCDMP CC(C)(C)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235059730 888382179 /nfs/dbraw/zinc/38/21/79/888382179.db2.gz FHMXWPZXUBYQSU-GOSISDBHSA-N 2 1 303.450 1.827 20 10 DDCDMP COC[C@@H]1CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945091 889435141 /nfs/dbraw/zinc/43/51/41/889435141.db2.gz HWKAVBQRGUSRGR-INIZCTEOSA-N 2 1 307.413 1.798 20 10 DDCDMP COC[C@@H]1CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945091 889435146 /nfs/dbraw/zinc/43/51/46/889435146.db2.gz HWKAVBQRGUSRGR-INIZCTEOSA-N 2 1 307.413 1.798 20 10 DDCDMP C[C@@H]1CC(NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H](C)[NH2+]1 ZINC001246171801 892460180 /nfs/dbraw/zinc/46/01/80/892460180.db2.gz DSFSNFGMHWHYOW-HUUCEWRRSA-N 2 1 302.466 1.715 20 10 DDCDMP CC[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176364 892464974 /nfs/dbraw/zinc/46/49/74/892464974.db2.gz WXRORDCEEYSTGZ-SJORKVTESA-N 2 1 302.466 1.716 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3(CO)CCC3)cc2F)CC1 ZINC001253163893 895676571 /nfs/dbraw/zinc/67/65/71/895676571.db2.gz VPVWWOGAFXCALY-UHFFFAOYSA-N 2 1 307.413 1.582 20 10 DDCDMP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001265758798 902375150 /nfs/dbraw/zinc/37/51/50/902375150.db2.gz KCCHLFZBTFKXSQ-GOEBONIOSA-N 2 1 319.449 1.692 20 10 DDCDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1(C)C ZINC000296469976 277106379 /nfs/dbraw/zinc/10/63/79/277106379.db2.gz OIZBLRQYGRQAGM-OAHLLOKOSA-N 2 1 303.450 1.995 20 10 DDCDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)CC1 ZINC000180068959 521695853 /nfs/dbraw/zinc/69/58/53/521695853.db2.gz ICODWVLAJXKUDB-KRWDZBQOSA-N 2 1 303.450 1.912 20 10 DDCDMP CC(C)C[N@@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775653430 698019617 /nfs/dbraw/zinc/01/96/17/698019617.db2.gz FJTOJFZOKFBHHQ-UHFFFAOYSA-N 2 1 318.465 1.382 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841057271 702329119 /nfs/dbraw/zinc/32/91/19/702329119.db2.gz IPGCVCUGEJMPDS-SJORKVTESA-N 2 1 302.466 1.798 20 10 DDCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894491 702511480 /nfs/dbraw/zinc/51/14/80/702511480.db2.gz LKLUHXFKLATZAF-HOTGVXAUSA-N 2 1 307.413 1.756 20 10 DDCDMP C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000817942789 702531018 /nfs/dbraw/zinc/53/10/18/702531018.db2.gz QZOIAZGKXCBWFD-QIIPPGSGSA-N 2 1 302.466 1.967 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000817941839 702531689 /nfs/dbraw/zinc/53/16/89/702531689.db2.gz LCJLEPMBNONYNW-BPQIPLTHSA-N 2 1 302.466 1.969 20 10 DDCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123619 702824522 /nfs/dbraw/zinc/82/45/22/702824522.db2.gz SXMBOCNPKHIIET-ZRHASKPBSA-N 2 1 314.477 1.745 20 10 DDCDMP CN(C)c1ccc(C=CC[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000863647857 705976161 /nfs/dbraw/zinc/97/61/61/705976161.db2.gz FHHDGJNHEAVAFB-ARJAWSKDSA-N 2 1 313.405 1.510 20 10 DDCDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000863651249 705976625 /nfs/dbraw/zinc/97/66/25/705976625.db2.gz IHWZIEQRGVCRGZ-KDURUIRLSA-N 2 1 315.461 1.955 20 10 DDCDMP Cc1cc(Br)c(O)c(C[N@H+](C)CCOCC[NH3+])c1 ZINC000863652507 705977233 /nfs/dbraw/zinc/97/72/33/705977233.db2.gz RKCFETXANQZDFQ-UHFFFAOYSA-N 2 1 317.227 1.870 20 10 DDCDMP Cc1cc(Br)c(O)c(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000863652507 705977238 /nfs/dbraw/zinc/97/72/38/705977238.db2.gz RKCFETXANQZDFQ-UHFFFAOYSA-N 2 1 317.227 1.870 20 10 DDCDMP CCOc1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c(O)c1 ZINC000827699105 706051906 /nfs/dbraw/zinc/05/19/06/706051906.db2.gz FASDGJMRPIFDKA-INIZCTEOSA-N 2 1 320.433 1.822 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000883442482 708003288 /nfs/dbraw/zinc/00/32/88/708003288.db2.gz MBFMBKXNFATIAP-HOTGVXAUSA-N 2 1 318.465 1.426 20 10 DDCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000891247091 710140543 /nfs/dbraw/zinc/14/05/43/710140543.db2.gz HGLHPZBYVPFDJR-DOTOQJQBSA-N 2 1 318.465 1.423 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923481136 714369569 /nfs/dbraw/zinc/36/95/69/714369569.db2.gz GBUCJNFOLLOMGT-HNNXBMFYSA-N 2 1 304.438 1.040 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C[NH3+] ZINC000923494535 714377642 /nfs/dbraw/zinc/37/76/42/714377642.db2.gz YPMGPDVCMIGEQI-WBVHZDCISA-N 2 1 303.450 1.940 20 10 DDCDMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C[NH3+] ZINC000923496108 714378296 /nfs/dbraw/zinc/37/82/96/714378296.db2.gz GRMPCIZRDCZEMW-GOEBONIOSA-N 2 1 318.465 1.286 20 10 DDCDMP Oc1c(C[N@@H+]2CCC[NH2+]CC2)cc2c3c1CCCN3CCC2 ZINC001204660924 738775317 /nfs/dbraw/zinc/77/53/17/738775317.db2.gz PMYWWHMZKWWLIC-UHFFFAOYSA-N 2 1 301.434 1.886 20 10 DDCDMP Oc1c(C[N@H+]2CCC[NH2+]CC2)cc2c3c1CCCN3CCC2 ZINC001204660924 738775320 /nfs/dbraw/zinc/77/53/20/738775320.db2.gz PMYWWHMZKWWLIC-UHFFFAOYSA-N 2 1 301.434 1.886 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(CO)CC1 ZINC001327953682 862588821 /nfs/dbraw/zinc/58/88/21/862588821.db2.gz WXDIMYMUQFIPAB-UHFFFAOYSA-N 2 1 307.413 1.534 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(CO)CC1 ZINC001327953682 862588826 /nfs/dbraw/zinc/58/88/26/862588826.db2.gz WXDIMYMUQFIPAB-UHFFFAOYSA-N 2 1 307.413 1.534 20 10 DDCDMP COc1cc(C[N@H+]2CCCC[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255623 860339031 /nfs/dbraw/zinc/33/90/31/860339031.db2.gz QQXUOWUQEFXITB-HNNXBMFYSA-N 2 1 308.422 1.809 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](F)[C@H](O)C3)cc2)CC1 ZINC001140302311 860614574 /nfs/dbraw/zinc/61/45/74/860614574.db2.gz NCKQAYQTTHXOJX-ZWKOTPCHSA-N 2 1 321.440 1.733 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CC4(CN(C)C4)C3)cc2)CC1 ZINC001140309516 860616279 /nfs/dbraw/zinc/61/62/79/860616279.db2.gz JPPUYMDABOGHSD-UHFFFAOYSA-N 2 1 314.477 1.576 20 10 DDCDMP C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332354164 865783291 /nfs/dbraw/zinc/78/32/91/865783291.db2.gz XVZFELVLZOEJDO-CZUORRHYSA-N 2 1 307.413 1.702 20 10 DDCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054788 888375740 /nfs/dbraw/zinc/37/57/40/888375740.db2.gz XNCAWKVYPNQPNY-SFHVURJKSA-N 2 1 300.450 1.424 20 10 DDCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054788 888375759 /nfs/dbraw/zinc/37/57/59/888375759.db2.gz XNCAWKVYPNQPNY-SFHVURJKSA-N 2 1 300.450 1.424 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406329 889620641 /nfs/dbraw/zinc/62/06/41/889620641.db2.gz UAPOLBSCCDOCDS-MJGOQNOKSA-N 3 1 314.477 1.670 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406329 889620646 /nfs/dbraw/zinc/62/06/46/889620646.db2.gz UAPOLBSCCDOCDS-MJGOQNOKSA-N 2 1 314.477 1.670 20 10 DDCDMP C[C@@H](O)C1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001261691339 899708643 /nfs/dbraw/zinc/70/86/43/899708643.db2.gz MHSRXQLOGOYIMF-CYBMUJFWSA-N 2 1 307.413 1.581 20 10 DDCDMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000706633906 699244208 /nfs/dbraw/zinc/24/42/08/699244208.db2.gz HXJHXAFJAGWPOX-UHFFFAOYSA-N 2 1 317.227 1.823 20 10 DDCDMP CCOCc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1OC ZINC000762557475 700897888 /nfs/dbraw/zinc/89/78/88/700897888.db2.gz ZUHURMSXDFCWFA-KRWDZBQOSA-N 2 1 308.422 1.388 20 10 DDCDMP CCOCc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1OC ZINC000762557475 700897890 /nfs/dbraw/zinc/89/78/90/700897890.db2.gz ZUHURMSXDFCWFA-KRWDZBQOSA-N 2 1 308.422 1.388 20 10 DDCDMP CN(C)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809739899 701684451 /nfs/dbraw/zinc/68/44/51/701684451.db2.gz WAMVMAVHVALTES-SFHVURJKSA-N 2 1 302.466 1.574 20 10 DDCDMP CN(C)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809739899 701684453 /nfs/dbraw/zinc/68/44/53/701684453.db2.gz WAMVMAVHVALTES-SFHVURJKSA-N 2 1 302.466 1.574 20 10 DDCDMP C[C@@H]1C[C@@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000841062953 702331832 /nfs/dbraw/zinc/33/18/32/702331832.db2.gz ZTDFAXLSARHBJS-WBVHZDCISA-N 2 1 302.466 1.669 20 10 DDCDMP Oc1c(F)cccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069466 702335546 /nfs/dbraw/zinc/33/55/46/702335546.db2.gz AQJWOKHMZKYXLA-GFCCVEGCSA-N 2 1 321.318 1.457 20 10 DDCDMP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000891247094 710140652 /nfs/dbraw/zinc/14/06/52/710140652.db2.gz HGLHPZBYVPFDJR-WBVHZDCISA-N 2 1 318.465 1.423 20 10 DDCDMP COc1ccc(N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1F ZINC000903445948 711129550 /nfs/dbraw/zinc/12/95/50/711129550.db2.gz ORASZNXNGIYFSZ-KGLIPLIRSA-N 2 1 307.413 1.812 20 10 DDCDMP Cc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1N(C)C ZINC000923280464 714295749 /nfs/dbraw/zinc/29/57/49/714295749.db2.gz GQPHGKAEMIHRFK-MRXNPFEDSA-N 2 1 318.465 1.348 20 10 DDCDMP CN(C)C(=O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412883 860393023 /nfs/dbraw/zinc/39/30/23/860393023.db2.gz QWWIYWHZIJSCBN-UHFFFAOYSA-N 2 1 318.465 1.349 20 10 DDCDMP C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321293492 867466821 /nfs/dbraw/zinc/46/68/21/867466821.db2.gz KTWWNHCLDRSCML-CWDCEQMOSA-N 2 1 321.440 1.994 20 10 DDCDMP COC(=O)c1c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205145791 871394358 /nfs/dbraw/zinc/39/43/58/871394358.db2.gz HHGKYLDGSHWCHA-QWHCGFSZSA-N 2 1 315.417 1.992 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C3CC3)cc2F)CC1 ZINC001318435986 872036217 /nfs/dbraw/zinc/03/62/17/872036217.db2.gz AIWJQOSSLUHFSW-GOSISDBHSA-N 2 1 321.440 1.828 20 10 DDCDMP N[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC1(F)F ZINC001206685244 872507794 /nfs/dbraw/zinc/50/77/94/872507794.db2.gz YIMFXZBLTROOGM-CQSZACIVSA-N 2 1 313.348 1.043 20 10 DDCDMP N[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC1(F)F ZINC001206685244 872507802 /nfs/dbraw/zinc/50/78/02/872507802.db2.gz YIMFXZBLTROOGM-CQSZACIVSA-N 2 1 313.348 1.043 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN[C@@H]3C[NH2+]CC3(C)C)cc2F)CC1 ZINC001345160677 873280927 /nfs/dbraw/zinc/28/09/27/873280927.db2.gz XNXSTEWUWKQDJO-QGZVFWFLSA-N 2 1 320.456 1.665 20 10 DDCDMP COc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)cc(C[NH+](C)C)c1O ZINC001276859775 880778970 /nfs/dbraw/zinc/77/89/70/880778970.db2.gz ASSSFQXPVTVQSL-GOEBONIOSA-N 2 1 319.449 1.598 20 10 DDCDMP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180032485 520575228 /nfs/dbraw/zinc/57/52/28/520575228.db2.gz MTKLDKZLTWXDMF-UHFFFAOYSA-N 2 1 319.449 1.687 20 10 DDCDMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)[C@@H]1CCC[NH2+]1 ZINC000321883473 698730938 /nfs/dbraw/zinc/73/09/38/698730938.db2.gz KBSOIPVTDRFAQE-HOCLYGCPSA-N 2 1 317.433 1.472 20 10 DDCDMP Fc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1N1CCOCC1 ZINC000770394996 701276243 /nfs/dbraw/zinc/27/62/43/701276243.db2.gz OIFGAFLGSUITGV-GASCZTMLSA-N 2 1 305.397 1.314 20 10 DDCDMP Fc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1N1CCOCC1 ZINC000770394996 701276244 /nfs/dbraw/zinc/27/62/44/701276244.db2.gz OIFGAFLGSUITGV-GASCZTMLSA-N 2 1 305.397 1.314 20 10 DDCDMP C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000840975910 702299172 /nfs/dbraw/zinc/29/91/72/702299172.db2.gz AKAISRHVNGSGDL-YJBOKZPZSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000840975910 702299178 /nfs/dbraw/zinc/29/91/78/702299178.db2.gz AKAISRHVNGSGDL-YJBOKZPZSA-N 2 1 319.449 1.020 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925501891 714874812 /nfs/dbraw/zinc/87/48/12/714874812.db2.gz JTJPDWHZYLIXOX-BSWVEEBUSA-N 2 1 313.445 1.609 20 10 DDCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206640481 862747474 /nfs/dbraw/zinc/74/74/74/862747474.db2.gz KBXLNMMPMITEEI-ZDUSSCGKSA-N 3 1 305.422 1.435 20 10 DDCDMP COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648090 881395952 /nfs/dbraw/zinc/39/59/52/881395952.db2.gz QLWNZCCWVDWUNY-QGZVFWFLSA-N 2 1 317.433 1.576 20 10 DDCDMP COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648090 881395956 /nfs/dbraw/zinc/39/59/56/881395956.db2.gz QLWNZCCWVDWUNY-QGZVFWFLSA-N 2 1 317.433 1.576 20 10 DDCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205579244 871641207 /nfs/dbraw/zinc/64/12/07/871641207.db2.gz LOCPNVGPRVVJAN-QGZVFWFLSA-N 3 1 323.412 1.527 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CO)C3)cc2F)CC1 ZINC001341553564 871711595 /nfs/dbraw/zinc/71/15/95/871711595.db2.gz NZDBUGVDGCXAEO-HNNXBMFYSA-N 2 1 307.413 1.392 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CO)C3)cc2F)CC1 ZINC001341553564 871711613 /nfs/dbraw/zinc/71/16/13/871711613.db2.gz NZDBUGVDGCXAEO-HNNXBMFYSA-N 2 1 307.413 1.392 20 10 DDCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206572588 872447256 /nfs/dbraw/zinc/44/72/56/872447256.db2.gz CURHRIUJJCSZIG-GOSISDBHSA-N 3 1 319.449 1.825 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222147983 880284814 /nfs/dbraw/zinc/28/48/14/880284814.db2.gz HAVVOMPKEYMYFT-IBGZPJMESA-N 3 1 314.477 1.672 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222147983 880284822 /nfs/dbraw/zinc/28/48/22/880284822.db2.gz HAVVOMPKEYMYFT-IBGZPJMESA-N 2 1 314.477 1.672 20 10 DDCDMP Oc1cc(C(F)(F)F)ccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234987321 888305224 /nfs/dbraw/zinc/30/52/24/888305224.db2.gz FQNWARQUQINLDM-AWEZNQCLSA-N 2 1 315.339 1.548 20 10 DDCDMP COc1cc(Cl)cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234993729 888318872 /nfs/dbraw/zinc/31/88/72/888318872.db2.gz VWQLJZGXVZSKIC-OAHLLOKOSA-N 2 1 311.813 1.192 20 10 DDCDMP C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933432 889429943 /nfs/dbraw/zinc/42/99/43/889429943.db2.gz XETWOHUSFPTAOR-YOEHRIQHSA-N 2 1 321.440 1.923 20 10 DDCDMP Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001237495296 889667778 /nfs/dbraw/zinc/66/77/78/889667778.db2.gz OXLUZNNEDKCCQT-CQSZACIVSA-N 2 1 305.422 1.343 20 10 DDCDMP Cc1cccc(O)c1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001237495296 889667788 /nfs/dbraw/zinc/66/77/88/889667788.db2.gz OXLUZNNEDKCCQT-CQSZACIVSA-N 2 1 305.422 1.343 20 10 DDCDMP Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001237495296 889667796 /nfs/dbraw/zinc/66/77/96/889667796.db2.gz OXLUZNNEDKCCQT-CQSZACIVSA-N 2 1 305.422 1.343 20 10 DDCDMP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1O ZINC000180032768 697444090 /nfs/dbraw/zinc/44/40/90/697444090.db2.gz HMWGSNSNWDHLKY-UHFFFAOYSA-N 2 1 317.433 1.441 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3C(N)=O)cc2)CC1 ZINC000775641729 698018558 /nfs/dbraw/zinc/01/85/58/698018558.db2.gz BOIITXDVTXLLHA-KRWDZBQOSA-N 2 1 316.449 1.278 20 10 DDCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775695188 698023775 /nfs/dbraw/zinc/02/37/75/698023775.db2.gz HNEABQPBSHHCSK-SFHVURJKSA-N 3 1 316.493 1.822 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844219641 702995124 /nfs/dbraw/zinc/99/51/24/702995124.db2.gz NDYLKIDSBKVUJR-ZBFHGGJFSA-N 2 1 318.465 1.428 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844219641 702995125 /nfs/dbraw/zinc/99/51/25/702995125.db2.gz NDYLKIDSBKVUJR-ZBFHGGJFSA-N 2 1 318.465 1.428 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNCC3([NH3+])CCCC3)cc2)CC1 ZINC000849350488 703637512 /nfs/dbraw/zinc/63/75/12/703637512.db2.gz ZCESBGSOWCKFDF-UHFFFAOYSA-N 2 1 302.466 1.800 20 10 DDCDMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873229042 707777943 /nfs/dbraw/zinc/77/79/43/707777943.db2.gz YZZTZUHKSQBQSD-GHMZBOCLSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873229042 707777945 /nfs/dbraw/zinc/77/79/45/707777945.db2.gz YZZTZUHKSQBQSD-GHMZBOCLSA-N 2 1 304.312 1.970 20 10 DDCDMP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000925776730 714933534 /nfs/dbraw/zinc/93/35/34/714933534.db2.gz IGLGICAPCRUUAA-IAGOWNOFSA-N 2 1 316.449 1.358 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326232931 861216266 /nfs/dbraw/zinc/21/62/66/861216266.db2.gz UGHATQCCATWMTH-GDBMZVCRSA-N 3 1 320.456 1.747 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001275419480 853093945 /nfs/dbraw/zinc/09/39/45/853093945.db2.gz ZXNBARSNYVCRKF-HIFRSBDPSA-N 2 1 305.422 1.166 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOCCF)cc2F)CC1 ZINC001328711764 863164544 /nfs/dbraw/zinc/16/45/44/863164544.db2.gz NDIXMUARRBHCLF-UHFFFAOYSA-N 2 1 313.392 1.653 20 10 DDCDMP C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH2+]1 ZINC001326200011 861184245 /nfs/dbraw/zinc/18/42/45/861184245.db2.gz LVNYJRNFVNUYHX-AWEZNQCLSA-N 2 1 306.429 1.371 20 10 DDCDMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204947132 871296273 /nfs/dbraw/zinc/29/62/73/871296273.db2.gz VVLPUVMJKXUKGN-KRWDZBQOSA-N 3 1 304.438 1.115 20 10 DDCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204947132 871296287 /nfs/dbraw/zinc/29/62/87/871296287.db2.gz VVLPUVMJKXUKGN-KRWDZBQOSA-N 3 1 304.438 1.115 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)c(F)c2)CC1 ZINC001205124449 871376873 /nfs/dbraw/zinc/37/68/73/871376873.db2.gz RTFJMYBKDLLSRL-MRXNPFEDSA-N 3 1 320.456 1.891 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)c(F)c2)CC1 ZINC001205124449 871376895 /nfs/dbraw/zinc/37/68/95/871376895.db2.gz RTFJMYBKDLLSRL-MRXNPFEDSA-N 3 1 320.456 1.891 20 10 DDCDMP N[C@H]1C[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC1(F)F ZINC001206685243 872507185 /nfs/dbraw/zinc/50/71/85/872507185.db2.gz YIMFXZBLTROOGM-AWEZNQCLSA-N 2 1 313.348 1.043 20 10 DDCDMP N[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC1(F)F ZINC001206685243 872507192 /nfs/dbraw/zinc/50/71/92/872507192.db2.gz YIMFXZBLTROOGM-AWEZNQCLSA-N 2 1 313.348 1.043 20 10 DDCDMP Cc1cc(Cl)cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222510823 880527254 /nfs/dbraw/zinc/52/72/54/880527254.db2.gz FVJBUXZHULTGAT-GJZGRUSLSA-N 2 1 309.841 1.880 20 10 DDCDMP Cc1cc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)cc[nH+]1 ZINC001233486780 887022583 /nfs/dbraw/zinc/02/25/83/887022583.db2.gz BLXQUNCAOPIRSO-UHFFFAOYSA-N 2 1 315.373 1.829 20 10 DDCDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237684071 889801623 /nfs/dbraw/zinc/80/16/23/889801623.db2.gz MABPKCAXBDRFDD-OKILXGFUSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237684071 889801631 /nfs/dbraw/zinc/80/16/31/889801631.db2.gz MABPKCAXBDRFDD-OKILXGFUSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237684071 889801639 /nfs/dbraw/zinc/80/16/39/889801639.db2.gz MABPKCAXBDRFDD-OKILXGFUSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237684071 889801647 /nfs/dbraw/zinc/80/16/47/889801647.db2.gz MABPKCAXBDRFDD-OKILXGFUSA-N 2 1 306.406 1.793 20 10 DDCDMP Cc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000373219369 418932549 /nfs/dbraw/zinc/93/25/49/418932549.db2.gz XBDHYCHHHYGLGV-QGZVFWFLSA-N 2 1 303.450 1.912 20 10 DDCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000063178664 696326876 /nfs/dbraw/zinc/32/68/76/696326876.db2.gz UNLDJSBTOWGSRT-LLVKDONJSA-N 2 1 311.813 1.333 20 10 DDCDMP Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000185341644 697517124 /nfs/dbraw/zinc/51/71/24/697517124.db2.gz WADORNPWGUSSMF-CQSZACIVSA-N 2 1 305.422 1.515 20 10 DDCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934388 702528732 /nfs/dbraw/zinc/52/87/32/702528732.db2.gz FXWCTOPTWFOEHQ-HUUCEWRRSA-N 2 1 311.376 1.771 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1O ZINC000846146052 703242505 /nfs/dbraw/zinc/24/25/05/703242505.db2.gz PIMREUISWJLPAR-ZDUSSCGKSA-N 2 1 321.421 1.216 20 10 DDCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[NH+](C)C)cc1 ZINC000891248600 710141316 /nfs/dbraw/zinc/14/13/16/710141316.db2.gz ZKHDLCHVTUOWRW-IAGOWNOFSA-N 2 1 318.465 1.566 20 10 DDCDMP COc1cc(C)cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1O ZINC000895352787 711492165 /nfs/dbraw/zinc/49/21/65/711492165.db2.gz BDBRNOMTJDARCQ-UHFFFAOYSA-N 2 1 316.405 1.765 20 10 DDCDMP N[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC1(F)F ZINC001206669080 865246316 /nfs/dbraw/zinc/24/63/16/865246316.db2.gz ZLMSGLUDSNSSRA-OAHLLOKOSA-N 2 1 310.392 1.265 20 10 DDCDMP COc1ccc(N2CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC001335414478 868281246 /nfs/dbraw/zinc/28/12/46/868281246.db2.gz XFTLOQYXDWLZPI-YOEHRIQHSA-N 2 1 319.449 1.319 20 10 DDCDMP COc1ccc(N2CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC001335414478 868281264 /nfs/dbraw/zinc/28/12/64/868281264.db2.gz XFTLOQYXDWLZPI-YOEHRIQHSA-N 2 1 319.449 1.319 20 10 DDCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205274307 871478439 /nfs/dbraw/zinc/47/84/39/871478439.db2.gz VEGJIIMWEOGADM-GOSISDBHSA-N 3 1 302.466 1.800 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206209724 872133753 /nfs/dbraw/zinc/13/37/53/872133753.db2.gz ISFHGGJYEGCYFS-UONOGXRCSA-N 2 1 310.369 1.369 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1O ZINC001206492549 872378367 /nfs/dbraw/zinc/37/83/67/872378367.db2.gz WTFOBJRILPGILO-MAUKXSAKSA-N 2 1 316.376 1.950 20 10 DDCDMP CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001350582813 875767253 /nfs/dbraw/zinc/76/72/53/875767253.db2.gz HDRCUNKWMVHGDF-SJORKVTESA-N 2 1 307.413 1.845 20 10 DDCDMP COc1cc(CN2CC3(CC[N@H+]3C)C2)cc(C[NH+](C)C)c1O ZINC001276862378 880817024 /nfs/dbraw/zinc/81/70/24/880817024.db2.gz ZYSIENUWAPRDIF-UHFFFAOYSA-N 2 1 305.422 1.352 20 10 DDCDMP Cc1cc(C)c(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(O)c1 ZINC001231846207 885902359 /nfs/dbraw/zinc/90/23/59/885902359.db2.gz DDTCAUIROWBQOL-UHFFFAOYSA-N 2 1 319.449 1.605 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235956515 889028189 /nfs/dbraw/zinc/02/81/89/889028189.db2.gz FKUPVHMNXDGEFL-KRWDZBQOSA-N 3 1 302.466 1.528 20 10 DDCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235956515 889028202 /nfs/dbraw/zinc/02/82/02/889028202.db2.gz FKUPVHMNXDGEFL-KRWDZBQOSA-N 2 1 302.466 1.528 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1OC ZINC001236321408 889185911 /nfs/dbraw/zinc/18/59/11/889185911.db2.gz QQJNNBIYBNYBGD-BETUJISGSA-N 2 1 306.406 1.841 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]34CCOC4)c(F)c2)CC1 ZINC001236945082 889435618 /nfs/dbraw/zinc/43/56/18/889435618.db2.gz HUPZVOSOHLYNAK-GOSISDBHSA-N 2 1 319.424 1.942 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]34CCOC4)c(F)c2)CC1 ZINC001236945082 889435624 /nfs/dbraw/zinc/43/56/24/889435624.db2.gz HUPZVOSOHLYNAK-GOSISDBHSA-N 2 1 319.424 1.942 20 10 DDCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001237083897 889498000 /nfs/dbraw/zinc/49/80/00/889498000.db2.gz ZXCCWKLQOKEGIP-QGZVFWFLSA-N 3 1 305.422 1.435 20 10 DDCDMP C[C@]1(C[NH3+])CCCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001237083897 889498005 /nfs/dbraw/zinc/49/80/05/889498005.db2.gz ZXCCWKLQOKEGIP-QGZVFWFLSA-N 2 1 305.422 1.435 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292194347 408999345 /nfs/dbraw/zinc/99/93/45/408999345.db2.gz ZFKNMJQUQXJEOF-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292194347 408999347 /nfs/dbraw/zinc/99/93/47/408999347.db2.gz ZFKNMJQUQXJEOF-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292194347 408999349 /nfs/dbraw/zinc/99/93/49/408999349.db2.gz ZFKNMJQUQXJEOF-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292194347 408999352 /nfs/dbraw/zinc/99/93/52/408999352.db2.gz ZFKNMJQUQXJEOF-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccccc3O)C2)CC1 ZINC000377691035 418713594 /nfs/dbraw/zinc/71/35/94/418713594.db2.gz HDYMAONVQNTRIR-KRWDZBQOSA-N 2 1 303.450 1.994 20 10 DDCDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000377691035 418713598 /nfs/dbraw/zinc/71/35/98/418713598.db2.gz HDYMAONVQNTRIR-KRWDZBQOSA-N 2 1 303.450 1.994 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCNC1=O ZINC000799737706 700163997 /nfs/dbraw/zinc/16/39/97/700163997.db2.gz LPYMBEUDQBBWOT-QGZVFWFLSA-N 2 1 316.449 1.149 20 10 DDCDMP C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775742634 698028464 /nfs/dbraw/zinc/02/84/64/698028464.db2.gz VTYQHIXOAIOFSL-YJBOKZPZSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775742634 698028466 /nfs/dbraw/zinc/02/84/66/698028466.db2.gz VTYQHIXOAIOFSL-YJBOKZPZSA-N 2 1 319.449 1.020 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841099005 702346434 /nfs/dbraw/zinc/34/64/34/702346434.db2.gz AXPMQXJMPACLFX-KRWDZBQOSA-N 2 1 314.437 1.640 20 10 DDCDMP O=C([C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1)N1CC[NH2+]CC1 ZINC000843047004 702807753 /nfs/dbraw/zinc/80/77/53/702807753.db2.gz KNGPTUNKHWQAJP-ZDUSSCGKSA-N 2 1 321.396 1.175 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1[NH3+] ZINC000843053161 702809087 /nfs/dbraw/zinc/80/90/87/702809087.db2.gz YVZVBSLYCJMGKO-CRAIPNDOSA-N 3 1 302.466 1.608 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052892 702809105 /nfs/dbraw/zinc/80/91/05/702809105.db2.gz XTAIXZVOZZESSC-GHMZBOCLSA-N 2 1 309.366 1.868 20 10 DDCDMP COc1c(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052892 702809106 /nfs/dbraw/zinc/80/91/06/702809106.db2.gz XTAIXZVOZZESSC-GHMZBOCLSA-N 2 1 309.366 1.868 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843057167 702809373 /nfs/dbraw/zinc/80/93/73/702809373.db2.gz GGJWSROTKLISLC-RDJZCZTQSA-N 3 1 302.466 1.608 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843057167 702809374 /nfs/dbraw/zinc/80/93/74/702809374.db2.gz GGJWSROTKLISLC-RDJZCZTQSA-N 2 1 302.466 1.608 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843057167 702809375 /nfs/dbraw/zinc/80/93/75/702809375.db2.gz GGJWSROTKLISLC-RDJZCZTQSA-N 2 1 302.466 1.608 20 10 DDCDMP Oc1ccccc1C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000843356684 702865768 /nfs/dbraw/zinc/86/57/68/702865768.db2.gz VOJSIHLLTNFZDZ-QGZVFWFLSA-N 2 1 319.449 1.278 20 10 DDCDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2=CC(=O)CS2)CC1 ZINC000823299661 705199242 /nfs/dbraw/zinc/19/92/42/705199242.db2.gz CLMHYBXOKHQFNR-UHFFFAOYSA-N 2 1 318.402 1.853 20 10 DDCDMP CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCOCC[NH3+])c1O ZINC000863555985 705956737 /nfs/dbraw/zinc/95/67/37/705956737.db2.gz YVUVBBYYKLUAMF-UHFFFAOYSA-N 2 1 300.786 1.655 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4COC[C@]4(C)C3)cc2)CC1 ZINC000827280051 705967848 /nfs/dbraw/zinc/96/78/48/705967848.db2.gz CZLLBUMIYOTQFT-HKUYNNGSSA-N 2 1 315.461 1.907 20 10 DDCDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666714 710915973 /nfs/dbraw/zinc/91/59/73/710915973.db2.gz LACVIEJWWLUIHR-IAGOWNOFSA-N 2 1 318.465 1.741 20 10 DDCDMP COc1ccc(O)c(C[NH2+][C@@H]2CNCC3(CCOCC3)C2)c1 ZINC000903972106 711352729 /nfs/dbraw/zinc/35/27/29/711352729.db2.gz GRSNZWSOMGVRAS-AWEZNQCLSA-N 2 1 306.406 1.649 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2F)CC1 ZINC001326222347 861207984 /nfs/dbraw/zinc/20/79/84/861207984.db2.gz OFZVJDIBDPHIIX-UHFFFAOYSA-N 3 1 320.456 1.748 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cc1 ZINC001275833237 853838213 /nfs/dbraw/zinc/83/82/13/853838213.db2.gz CXZXMNCHFJXUSU-HDICACEKSA-N 2 1 302.466 1.573 20 10 DDCDMP CN(C)c1ccc(C[N@@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cc1 ZINC001275833237 853838218 /nfs/dbraw/zinc/83/82/18/853838218.db2.gz CXZXMNCHFJXUSU-HDICACEKSA-N 2 1 302.466 1.573 20 10 DDCDMP C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139413230 860392577 /nfs/dbraw/zinc/39/25/77/860392577.db2.gz SWIUFFMLWVMWQG-YJBOKZPZSA-N 2 1 303.450 1.784 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1[NH3+] ZINC001337837263 869653161 /nfs/dbraw/zinc/65/31/61/869653161.db2.gz AGBMGDPDLPSIKK-CZUORRHYSA-N 2 1 306.429 1.357 20 10 DDCDMP C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828554 871840152 /nfs/dbraw/zinc/84/01/52/871840152.db2.gz LWEZHWUYKYERGR-MAUKXSAKSA-N 2 1 302.466 1.655 20 10 DDCDMP C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828554 871840165 /nfs/dbraw/zinc/84/01/65/871840165.db2.gz LWEZHWUYKYERGR-MAUKXSAKSA-N 2 1 302.466 1.655 20 10 DDCDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828554 871840175 /nfs/dbraw/zinc/84/01/75/871840175.db2.gz LWEZHWUYKYERGR-MAUKXSAKSA-N 3 1 302.466 1.655 20 10 DDCDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828554 871840190 /nfs/dbraw/zinc/84/01/90/871840190.db2.gz LWEZHWUYKYERGR-MAUKXSAKSA-N 3 1 302.466 1.655 20 10 DDCDMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001206808043 872610888 /nfs/dbraw/zinc/61/08/88/872610888.db2.gz JPMPFWABIJSRPT-GJZGRUSLSA-N 3 1 318.465 1.361 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN[C@H]3C[NH2+]CC3(C)C)cc2F)CC1 ZINC001345160674 873281714 /nfs/dbraw/zinc/28/17/14/873281714.db2.gz XNXSTEWUWKQDJO-KRWDZBQOSA-N 2 1 320.456 1.665 20 10 DDCDMP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236409078 889226190 /nfs/dbraw/zinc/22/61/90/889226190.db2.gz RLQCJQNGXXGASQ-QGZVFWFLSA-N 3 1 302.466 1.528 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246173904 892461879 /nfs/dbraw/zinc/46/18/79/892461879.db2.gz NTMFJKBBJYZVQY-PIIMJCKOSA-N 2 1 314.477 1.859 20 10 DDCDMP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179569444 407808135 /nfs/dbraw/zinc/80/81/35/407808135.db2.gz ZFKODFGCLMMQCT-UHFFFAOYSA-N 2 1 305.422 1.378 20 10 DDCDMP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293488173 409123791 /nfs/dbraw/zinc/12/37/91/409123791.db2.gz AIMMQWYGWLHHRQ-UHFFFAOYSA-N 2 1 302.777 1.731 20 10 DDCDMP COc1ccc(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000373219502 418932535 /nfs/dbraw/zinc/93/25/35/418932535.db2.gz XPCHXTDRMQHKKN-INIZCTEOSA-N 2 1 319.449 1.613 20 10 DDCDMP COc1ccc(O)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000373219502 418932536 /nfs/dbraw/zinc/93/25/36/418932536.db2.gz XPCHXTDRMQHKKN-INIZCTEOSA-N 2 1 319.449 1.613 20 10 DDCDMP CC(=O)N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775638272 698017820 /nfs/dbraw/zinc/01/78/20/698017820.db2.gz GSAJZBHWSCFIPH-UHFFFAOYSA-N 2 1 316.449 1.103 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000841100801 702346340 /nfs/dbraw/zinc/34/63/40/702346340.db2.gz KFJAVOXYVCJGER-WMZOPIPTSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000841100801 702346347 /nfs/dbraw/zinc/34/63/47/702346347.db2.gz KFJAVOXYVCJGER-WMZOPIPTSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000841100801 702346354 /nfs/dbraw/zinc/34/63/54/702346354.db2.gz KFJAVOXYVCJGER-WMZOPIPTSA-N 2 1 316.493 1.855 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100107 702346521 /nfs/dbraw/zinc/34/65/21/702346521.db2.gz UVODBEPOLUEUPC-JQWIXIFHSA-N 2 1 309.366 1.726 20 10 DDCDMP COc1c(O)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100107 702346528 /nfs/dbraw/zinc/34/65/28/702346528.db2.gz UVODBEPOLUEUPC-JQWIXIFHSA-N 2 1 309.366 1.726 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000841101152 702346761 /nfs/dbraw/zinc/34/67/61/702346761.db2.gz PPQRAWSXZKLOKT-DOTOQJQBSA-N 2 1 303.450 1.940 20 10 DDCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934389 702528254 /nfs/dbraw/zinc/52/82/54/702528254.db2.gz FXWCTOPTWFOEHQ-LSDHHAIUSA-N 2 1 311.376 1.771 20 10 DDCDMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843047850 702808059 /nfs/dbraw/zinc/80/80/59/702808059.db2.gz YSYPHVGOSSUGFK-HNNXBMFYSA-N 2 1 307.413 1.833 20 10 DDCDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843047850 702808062 /nfs/dbraw/zinc/80/80/62/702808062.db2.gz YSYPHVGOSSUGFK-HNNXBMFYSA-N 2 1 307.413 1.833 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000843118156 702822912 /nfs/dbraw/zinc/82/29/12/702822912.db2.gz AADBHYZTCKWDBY-QGZVFWFLSA-N 2 1 306.406 1.985 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127499 702825367 /nfs/dbraw/zinc/82/53/67/702825367.db2.gz RTSZIKKBXRTRTG-HDICACEKSA-N 2 1 315.461 1.955 20 10 DDCDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853625789 704289011 /nfs/dbraw/zinc/28/90/11/704289011.db2.gz YTECUIMDLTYQRU-AWEZNQCLSA-N 2 1 322.405 1.664 20 10 DDCDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853625789 704289012 /nfs/dbraw/zinc/28/90/12/704289012.db2.gz YTECUIMDLTYQRU-AWEZNQCLSA-N 2 1 322.405 1.664 20 10 DDCDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863647631 705976191 /nfs/dbraw/zinc/97/61/91/705976191.db2.gz SWOICQHZIYOODM-UHFFFAOYSA-N 3 1 320.481 1.106 20 10 DDCDMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000863647631 705976195 /nfs/dbraw/zinc/97/61/95/705976195.db2.gz SWOICQHZIYOODM-UHFFFAOYSA-N 2 1 320.481 1.106 20 10 DDCDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000863647631 705976198 /nfs/dbraw/zinc/97/61/98/705976198.db2.gz SWOICQHZIYOODM-UHFFFAOYSA-N 2 1 320.481 1.106 20 10 DDCDMP C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000873222291 707774035 /nfs/dbraw/zinc/77/40/35/707774035.db2.gz KVPVUZRQUDYIFS-INIZCTEOSA-N 2 1 316.493 1.916 20 10 DDCDMP COc1cc(C)cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1O ZINC000894201309 711014088 /nfs/dbraw/zinc/01/40/88/711014088.db2.gz YGFOWVKJZWSMFN-UHFFFAOYSA-N 2 1 308.422 1.646 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H](O)C3CC3)cc2F)CC1 ZINC001119987248 781710449 /nfs/dbraw/zinc/71/04/49/781710449.db2.gz NNSOACYJSUFOIK-SFHVURJKSA-N 2 1 321.440 1.828 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139261035 860340945 /nfs/dbraw/zinc/34/09/45/860340945.db2.gz SKSGDUZELVFVLE-KRWDZBQOSA-N 2 1 306.406 1.827 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139261035 860340954 /nfs/dbraw/zinc/34/09/54/860340954.db2.gz SKSGDUZELVFVLE-KRWDZBQOSA-N 2 1 306.406 1.827 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC(=O)[C@H](F)CC3)cc2)CC1 ZINC001139407957 860389429 /nfs/dbraw/zinc/38/94/29/860389429.db2.gz HVHVMILQPWAOBI-QGZVFWFLSA-N 2 1 319.424 1.941 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC(=O)[C@H](F)CC3)cc2)CC1 ZINC001139407957 860389434 /nfs/dbraw/zinc/38/94/34/860389434.db2.gz HVHVMILQPWAOBI-QGZVFWFLSA-N 2 1 319.424 1.941 20 10 DDCDMP CC[NH+](CC)CCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140052787 860565186 /nfs/dbraw/zinc/56/51/86/860565186.db2.gz ATIRYEQCXOHSHW-UHFFFAOYSA-N 2 1 309.429 1.991 20 10 DDCDMP C[C@@H](O)C[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001329984470 863995407 /nfs/dbraw/zinc/99/54/07/863995407.db2.gz RWZBMTDAOQXIBE-CQSZACIVSA-N 2 1 321.440 1.923 20 10 DDCDMP C[C@@H](O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001329984470 863995420 /nfs/dbraw/zinc/99/54/20/863995420.db2.gz RWZBMTDAOQXIBE-CQSZACIVSA-N 2 1 321.440 1.923 20 10 DDCDMP C[C@@H](O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001329984470 863995425 /nfs/dbraw/zinc/99/54/25/863995425.db2.gz RWZBMTDAOQXIBE-CQSZACIVSA-N 2 1 321.440 1.923 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCn3cccn3)cc2F)CC1 ZINC001308220252 871480384 /nfs/dbraw/zinc/48/03/84/871480384.db2.gz NGDAUHVLWXKCIN-UHFFFAOYSA-N 2 1 317.412 1.564 20 10 DDCDMP N[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001206166752 872102204 /nfs/dbraw/zinc/10/22/04/872102204.db2.gz UOSPTHCQMMMRLX-IRXDYDNUSA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001206166752 872102218 /nfs/dbraw/zinc/10/22/18/872102218.db2.gz UOSPTHCQMMMRLX-IRXDYDNUSA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001206166752 872102232 /nfs/dbraw/zinc/10/22/32/872102232.db2.gz UOSPTHCQMMMRLX-IRXDYDNUSA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001206166752 872102243 /nfs/dbraw/zinc/10/22/43/872102243.db2.gz UOSPTHCQMMMRLX-IRXDYDNUSA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001206185664 872119058 /nfs/dbraw/zinc/11/90/58/872119058.db2.gz OQTMRPCGMLNSSW-HZPDHXFCSA-N 2 1 322.428 1.063 20 10 DDCDMP N[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001206185664 872119064 /nfs/dbraw/zinc/11/90/64/872119064.db2.gz OQTMRPCGMLNSSW-HZPDHXFCSA-N 2 1 322.428 1.063 20 10 DDCDMP N[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001206185664 872119069 /nfs/dbraw/zinc/11/90/69/872119069.db2.gz OQTMRPCGMLNSSW-HZPDHXFCSA-N 2 1 322.428 1.063 20 10 DDCDMP [NH3+]CCN(CC[NH3+])Cc1cc(Br)cc(F)c1O ZINC001235879816 888998825 /nfs/dbraw/zinc/99/88/25/888998825.db2.gz GMEPTZBGTNMUCN-UHFFFAOYSA-N 2 1 306.179 1.013 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)C[NH2+]CCO2 ZINC001222154494 880287778 /nfs/dbraw/zinc/28/77/78/880287778.db2.gz NVPBSYWYSNHVJW-SFHVURJKSA-N 3 1 317.433 1.450 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)C[NH2+]CCO2 ZINC001222154494 880287794 /nfs/dbraw/zinc/28/77/94/880287794.db2.gz NVPBSYWYSNHVJW-SFHVURJKSA-N 3 1 317.433 1.450 20 10 DDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001233012211 886724789 /nfs/dbraw/zinc/72/47/89/886724789.db2.gz JSGXHIGFNNMQAU-UONOGXRCSA-N 2 1 321.421 1.014 20 10 DDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001233012211 886724792 /nfs/dbraw/zinc/72/47/92/886724792.db2.gz JSGXHIGFNNMQAU-UONOGXRCSA-N 2 1 321.421 1.014 20 10 DDCDMP CN1CCCc2cc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)ccc21 ZINC001234982455 888295653 /nfs/dbraw/zinc/29/56/53/888295653.db2.gz PKDRBTSOVJRKCK-GOSISDBHSA-N 2 1 300.450 1.206 20 10 DDCDMP CN1CCCc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235055375 888375056 /nfs/dbraw/zinc/37/50/56/888375056.db2.gz VSLFBIQKTPDNPP-GOSISDBHSA-N 2 1 300.450 1.206 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235055375 888375070 /nfs/dbraw/zinc/37/50/70/888375070.db2.gz VSLFBIQKTPDNPP-GOSISDBHSA-N 2 1 300.450 1.206 20 10 DDCDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccccc3O)C[C@H]1C2 ZINC001236024139 889061712 /nfs/dbraw/zinc/06/17/12/889061712.db2.gz WGPLOUGKHRIIOC-FSZRXZPDSA-N 2 1 316.401 1.223 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216662 889146907 /nfs/dbraw/zinc/14/69/07/889146907.db2.gz LEVLMRVZHOYHMR-HUUCEWRRSA-N 3 1 305.422 1.576 20 10 DDCDMP C[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216662 889146911 /nfs/dbraw/zinc/14/69/11/889146911.db2.gz LEVLMRVZHOYHMR-HUUCEWRRSA-N 3 1 305.422 1.576 20 10 DDCDMP C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775987096 698057584 /nfs/dbraw/zinc/05/75/84/698057584.db2.gz UQWQKPDDFMHWLB-DLBZAZTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775987096 698057588 /nfs/dbraw/zinc/05/75/88/698057588.db2.gz UQWQKPDDFMHWLB-DLBZAZTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775987096 698057594 /nfs/dbraw/zinc/05/75/94/698057594.db2.gz UQWQKPDDFMHWLB-DLBZAZTESA-N 2 1 316.493 1.963 20 10 DDCDMP Oc1cc2c(cc1C[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)OCO2 ZINC000850397235 703729567 /nfs/dbraw/zinc/72/95/67/703729567.db2.gz UVOXTQIVUCOQQL-AWEZNQCLSA-N 2 1 320.389 1.464 20 10 DDCDMP CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000835037458 707160981 /nfs/dbraw/zinc/16/09/81/707160981.db2.gz WHBJZJDDRWXWHZ-XFHJGTJQSA-N 2 1 303.450 1.812 20 10 DDCDMP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883027679 707904198 /nfs/dbraw/zinc/90/41/98/707904198.db2.gz KKTYRIYZVRLTIY-UHFFFAOYSA-N 2 1 313.392 1.786 20 10 DDCDMP COc1cc(C)cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1O ZINC000894026332 710934030 /nfs/dbraw/zinc/93/40/30/710934030.db2.gz MDNCVCUGLOUFSD-UHFFFAOYSA-N 2 1 322.449 1.988 20 10 DDCDMP COc1cc(C)cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1O ZINC000894026332 710934033 /nfs/dbraw/zinc/93/40/33/710934033.db2.gz MDNCVCUGLOUFSD-UHFFFAOYSA-N 2 1 322.449 1.988 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256286 860339088 /nfs/dbraw/zinc/33/90/88/860339088.db2.gz XYNYXMUDYGJELD-DOMZBBRYSA-N 2 1 308.422 1.665 20 10 DDCDMP COC(=O)CC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259286 860340766 /nfs/dbraw/zinc/34/07/66/860340766.db2.gz PIOCEBZTMDYKPM-UHFFFAOYSA-N 2 1 310.394 1.457 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC001140306195 860616695 /nfs/dbraw/zinc/61/66/95/860616695.db2.gz ONFNVWOISWMOSB-QGZVFWFLSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC001140306195 860616697 /nfs/dbraw/zinc/61/66/97/860616697.db2.gz ONFNVWOISWMOSB-QGZVFWFLSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC001140306195 860616698 /nfs/dbraw/zinc/61/66/98/860616698.db2.gz ONFNVWOISWMOSB-QGZVFWFLSA-N 2 1 316.493 1.964 20 10 DDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001205117498 871374035 /nfs/dbraw/zinc/37/40/35/871374035.db2.gz PKKLESYVIVGHAM-OAHLLOKOSA-N 3 1 304.438 1.115 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1C[NH3+] ZINC001205317914 871494175 /nfs/dbraw/zinc/49/41/75/871494175.db2.gz QRTFLJHSTZOLNY-GDBMZVCRSA-N 3 1 318.465 1.219 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@@H]1C[NH3+] ZINC001205315826 871494714 /nfs/dbraw/zinc/49/47/14/871494714.db2.gz HHZQPHZDNHLGJN-WFASDCNBSA-N 3 1 305.422 1.291 20 10 DDCDMP C[C@H]1CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@@H]1C[NH3+] ZINC001205315826 871494721 /nfs/dbraw/zinc/49/47/21/871494721.db2.gz HHZQPHZDNHLGJN-WFASDCNBSA-N 2 1 305.422 1.291 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC[C@@H]1C[NH3+] ZINC001206021714 871999984 /nfs/dbraw/zinc/99/99/84/871999984.db2.gz ATLGBFIHKSWXIZ-ZIAGYGMSSA-N 3 1 319.449 1.681 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CCC[C@@H]1C[NH3+] ZINC001206021714 871999999 /nfs/dbraw/zinc/99/99/99/871999999.db2.gz ATLGBFIHKSWXIZ-ZIAGYGMSSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CCC[C@@H]1C[NH3+] ZINC001206021714 872000009 /nfs/dbraw/zinc/00/00/09/872000009.db2.gz ATLGBFIHKSWXIZ-ZIAGYGMSSA-N 2 1 319.449 1.681 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@@H]1O ZINC001206535166 872421619 /nfs/dbraw/zinc/42/16/19/872421619.db2.gz FNFLNKYQVVDZNB-GWCFXTLKSA-N 2 1 320.311 1.085 20 10 DDCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206572589 872447624 /nfs/dbraw/zinc/44/76/24/872447624.db2.gz CURHRIUJJCSZIG-SFHVURJKSA-N 3 1 319.449 1.825 20 10 DDCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)[NH+](C)C)cc1 ZINC001343165349 872523947 /nfs/dbraw/zinc/52/39/47/872523947.db2.gz FUXKZRATKIEWHC-LSDHHAIUSA-N 2 1 322.478 1.134 20 10 DDCDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233484493 887013086 /nfs/dbraw/zinc/01/30/86/887013086.db2.gz MFIDNJUOYMWCCC-UHFFFAOYSA-N 2 1 321.377 1.433 20 10 DDCDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236936961 889432842 /nfs/dbraw/zinc/43/28/42/889432842.db2.gz VWDCJWBWIDSFKK-INIZCTEOSA-N 2 1 307.413 1.798 20 10 DDCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237059799 889486440 /nfs/dbraw/zinc/48/64/40/889486440.db2.gz VKDZYPMQBSBETR-SFHVURJKSA-N 3 1 302.466 1.657 20 10 DDCDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000185341845 408797811 /nfs/dbraw/zinc/79/78/11/408797811.db2.gz FFRYINIGBYQNNF-LBPRGKRZSA-N 2 1 309.385 1.346 20 10 DDCDMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000748323850 700110612 /nfs/dbraw/zinc/11/06/12/700110612.db2.gz PSIQRCRYSVCBGA-UHFFFAOYSA-N 2 1 313.467 1.799 20 10 DDCDMP CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC000319088144 698709778 /nfs/dbraw/zinc/70/97/78/698709778.db2.gz BWSAFGDAQLLTPN-OAHLLOKOSA-N 2 1 305.422 1.270 20 10 DDCDMP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000843048639 702807838 /nfs/dbraw/zinc/80/78/38/702807838.db2.gz MNCASKRMBVNIMV-VIFPVBQESA-N 2 1 315.211 1.944 20 10 DDCDMP COc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000843048639 702807840 /nfs/dbraw/zinc/80/78/40/702807840.db2.gz MNCASKRMBVNIMV-VIFPVBQESA-N 2 1 315.211 1.944 20 10 DDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000852753819 704114781 /nfs/dbraw/zinc/11/47/81/704114781.db2.gz SRKYLRJYHABNLB-KRWDZBQOSA-N 2 1 319.449 1.584 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000883442483 708003145 /nfs/dbraw/zinc/00/31/45/708003145.db2.gz MBFMBKXNFATIAP-HZPDHXFCSA-N 2 1 318.465 1.426 20 10 DDCDMP COc1cc(C[N@@H+]2CCC3(CN(C)C3)C2)cc(C[NH+](C)C)c1O ZINC001139259338 757204924 /nfs/dbraw/zinc/20/49/24/757204924.db2.gz RSAHYZGFJPAPRW-UHFFFAOYSA-N 2 1 319.449 1.600 20 10 DDCDMP COc1cc(C[N@H+]2CCC3(CN(C)C3)C2)cc(C[NH+](C)C)c1O ZINC001139259338 757204927 /nfs/dbraw/zinc/20/49/27/757204927.db2.gz RSAHYZGFJPAPRW-UHFFFAOYSA-N 2 1 319.449 1.600 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CO)cc2F)CC1 ZINC001117747991 780893932 /nfs/dbraw/zinc/89/39/32/780893932.db2.gz NMMRJAOPYMBMGS-NVXWUHKLSA-N 2 1 321.440 1.828 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H](O)C3)cc2)CC1 ZINC001139408289 860390083 /nfs/dbraw/zinc/39/00/83/860390083.db2.gz JYOFCMLUTHARNO-GOSISDBHSA-N 2 1 303.450 1.785 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CO)C3)cc2)CC1 ZINC001140304769 860616457 /nfs/dbraw/zinc/61/64/57/860616457.db2.gz AYZBIAWEYSLLFM-KRWDZBQOSA-N 2 1 303.450 1.643 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH2+]1 ZINC001329410070 863650907 /nfs/dbraw/zinc/65/09/07/863650907.db2.gz LVNYJRNFVNUYHX-CQSZACIVSA-N 2 1 306.429 1.371 20 10 DDCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)CO ZINC001330425402 864334825 /nfs/dbraw/zinc/33/48/25/864334825.db2.gz UGWBKVONMTVATG-AWEZNQCLSA-N 2 1 309.429 1.780 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)CO ZINC001330425402 864334843 /nfs/dbraw/zinc/33/48/43/864334843.db2.gz UGWBKVONMTVATG-AWEZNQCLSA-N 2 1 309.429 1.780 20 10 DDCDMP N[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC1(F)F ZINC001206669079 865246827 /nfs/dbraw/zinc/24/68/27/865246827.db2.gz ZLMSGLUDSNSSRA-HNNXBMFYSA-N 2 1 310.392 1.265 20 10 DDCDMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001206808044 872609970 /nfs/dbraw/zinc/60/99/70/872609970.db2.gz JPMPFWABIJSRPT-HUUCEWRRSA-N 3 1 318.465 1.361 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCCCO)cc2F)CC1 ZINC001344108621 872859184 /nfs/dbraw/zinc/85/91/84/872859184.db2.gz GRKBPGGEFKGVRP-UHFFFAOYSA-N 2 1 309.429 1.830 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC001353899864 877638815 /nfs/dbraw/zinc/63/88/15/877638815.db2.gz QMBVVVMEZIIPFU-CVEARBPZSA-N 3 1 320.456 1.937 20 10 DDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001233484496 887013662 /nfs/dbraw/zinc/01/36/62/887013662.db2.gz MHJRKERYMXKVBJ-UONOGXRCSA-N 2 1 321.421 1.014 20 10 DDCDMP CC(C)(C)c1ccc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234992895 888315703 /nfs/dbraw/zinc/31/57/03/888315703.db2.gz UASRKWMXRYYJFJ-SFHVURJKSA-N 2 1 303.450 1.827 20 10 DDCDMP COc1cc(O)c(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1OC ZINC001236752337 889331730 /nfs/dbraw/zinc/33/17/30/889331730.db2.gz OOXJBWAULRSLSB-UHFFFAOYSA-N 2 1 323.437 1.089 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CC[N@@H+](C)C1 ZINC001236938768 889432473 /nfs/dbraw/zinc/43/24/73/889432473.db2.gz MKXVNGAUHBDVEV-KRWDZBQOSA-N 2 1 320.456 1.713 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CCNC3=CCCC[C@H]31)C[NH2+]CCO2 ZINC001237227558 889554686 /nfs/dbraw/zinc/55/46/86/889554686.db2.gz AUXFTLPTRQHTNV-MRXNPFEDSA-N 2 1 315.417 1.716 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCNC3=CCCC[C@H]31)C[NH2+]CCO2 ZINC001237227558 889554691 /nfs/dbraw/zinc/55/46/91/889554691.db2.gz AUXFTLPTRQHTNV-MRXNPFEDSA-N 2 1 315.417 1.716 20 10 DDCDMP Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(O)c1C ZINC000273600678 408259237 /nfs/dbraw/zinc/25/92/37/408259237.db2.gz RWEAEBNPNYPPTE-OAHLLOKOSA-N 2 1 319.449 1.824 20 10 DDCDMP CNC(=O)CCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775724135 698025947 /nfs/dbraw/zinc/02/59/47/698025947.db2.gz CWNQVMUOIDOUEW-UHFFFAOYSA-N 2 1 318.465 1.396 20 10 DDCDMP COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000702587899 699231284 /nfs/dbraw/zinc/23/12/84/699231284.db2.gz QWZOUJVYZPJKHS-AWEZNQCLSA-N 2 1 300.786 1.210 20 10 DDCDMP COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000702587899 699231286 /nfs/dbraw/zinc/23/12/86/699231286.db2.gz QWZOUJVYZPJKHS-AWEZNQCLSA-N 2 1 300.786 1.210 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000873215183 707772771 /nfs/dbraw/zinc/77/27/71/707772771.db2.gz ANPKOFXQVNJLLP-NVXWUHKLSA-N 2 1 302.466 1.465 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000873215183 707772774 /nfs/dbraw/zinc/77/27/74/707772774.db2.gz ANPKOFXQVNJLLP-NVXWUHKLSA-N 2 1 302.466 1.465 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000873215183 707772778 /nfs/dbraw/zinc/77/27/78/707772778.db2.gz ANPKOFXQVNJLLP-NVXWUHKLSA-N 2 1 302.466 1.465 20 10 DDCDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666716 710916181 /nfs/dbraw/zinc/91/61/81/710916181.db2.gz LACVIEJWWLUIHR-SJORKVTESA-N 2 1 318.465 1.741 20 10 DDCDMP C[C@@H](CCO)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326483467 861400991 /nfs/dbraw/zinc/40/09/91/861400991.db2.gz GGPAKDDUNAXYAF-AWEZNQCLSA-N 2 1 309.429 1.780 20 10 DDCDMP C[C@@H](CCO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326483467 861400997 /nfs/dbraw/zinc/40/09/97/861400997.db2.gz GGPAKDDUNAXYAF-AWEZNQCLSA-N 2 1 309.429 1.780 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140302565 860615499 /nfs/dbraw/zinc/61/54/99/860615499.db2.gz USLPYYZJNVKDQI-HDICACEKSA-N 2 1 315.461 1.907 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+](CCO)C3CC3)cc2F)CC1 ZINC001323285972 866498685 /nfs/dbraw/zinc/49/86/85/866498685.db2.gz OBRAEYJTKCSGJX-UHFFFAOYSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+](CCO)C3CC3)cc2F)CC1 ZINC001323285972 866498693 /nfs/dbraw/zinc/49/86/93/866498693.db2.gz OBRAEYJTKCSGJX-UHFFFAOYSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)C3CC3)cc2F)CC1 ZINC001323285972 866498702 /nfs/dbraw/zinc/49/87/02/866498702.db2.gz OBRAEYJTKCSGJX-UHFFFAOYSA-N 2 1 307.413 1.534 20 10 DDCDMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1OC ZINC001333822952 867047172 /nfs/dbraw/zinc/04/71/72/867047172.db2.gz OMTDJIAUNREPIX-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1OC ZINC001333822952 867047187 /nfs/dbraw/zinc/04/71/87/867047187.db2.gz OMTDJIAUNREPIX-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1OC ZINC001333822952 867047205 /nfs/dbraw/zinc/04/72/05/867047205.db2.gz OMTDJIAUNREPIX-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1OC ZINC001333822952 867047226 /nfs/dbraw/zinc/04/72/26/867047226.db2.gz OMTDJIAUNREPIX-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c(OC)c1 ZINC001205247196 871455990 /nfs/dbraw/zinc/45/59/90/871455990.db2.gz CWBCSZPJXYEHPJ-INIZCTEOSA-N 2 1 310.394 1.085 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1C[NH3+] ZINC001205304259 871489110 /nfs/dbraw/zinc/48/91/10/871489110.db2.gz NJLCYXNHKGZLJN-RDJZCZTQSA-N 3 1 302.466 1.513 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC001353899868 877638349 /nfs/dbraw/zinc/63/83/49/877638349.db2.gz QMBVVVMEZIIPFU-HZPDHXFCSA-N 3 1 320.456 1.937 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000315935891 879219218 /nfs/dbraw/zinc/21/92/18/879219218.db2.gz RYIXGAWIKOKVHM-OAHLLOKOSA-N 2 1 304.438 1.040 20 10 DDCDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179571099 407808049 /nfs/dbraw/zinc/80/80/49/407808049.db2.gz AXRMZGXSRMYSSC-KRWDZBQOSA-N 2 1 303.450 1.994 20 10 DDCDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000377618267 418711622 /nfs/dbraw/zinc/71/16/22/418711622.db2.gz CAFKNEICUDLTSX-MRXNPFEDSA-N 2 1 303.450 1.852 20 10 DDCDMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1(C)C ZINC000296469968 277106578 /nfs/dbraw/zinc/10/65/78/277106578.db2.gz OIZBLRQYGRQAGM-HNNXBMFYSA-N 2 1 303.450 1.995 20 10 DDCDMP Cc1cc(N(C)C)ccc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000840907313 702276165 /nfs/dbraw/zinc/27/61/65/702276165.db2.gz CNFNAJKTVCEFSA-UHFFFAOYSA-N 2 1 305.466 1.950 20 10 DDCDMP Cc1cc(N(C)C)ccc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000840907313 702276169 /nfs/dbraw/zinc/27/61/69/702276169.db2.gz CNFNAJKTVCEFSA-UHFFFAOYSA-N 2 1 305.466 1.950 20 10 DDCDMP COc1c(O)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000841073468 702335984 /nfs/dbraw/zinc/33/59/84/702335984.db2.gz UUBGWJSTFCNWBS-LBPRGKRZSA-N 2 1 309.366 1.931 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCC[N@H+]1C ZINC000817417236 702375723 /nfs/dbraw/zinc/37/57/23/702375723.db2.gz IETYMVVSZNQYTB-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP CN1CCC[C@H]1C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000817417236 702375731 /nfs/dbraw/zinc/37/57/31/702375731.db2.gz IETYMVVSZNQYTB-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP CN1CCC[C@H]1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000817417236 702375740 /nfs/dbraw/zinc/37/57/40/702375740.db2.gz IETYMVVSZNQYTB-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843048300 702807852 /nfs/dbraw/zinc/80/78/52/702807852.db2.gz XUCSXHYTCBPGLI-MRXNPFEDSA-N 2 1 318.465 1.348 20 10 DDCDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000843121949 702823924 /nfs/dbraw/zinc/82/39/24/702823924.db2.gz MDFHAXPDFWTFKC-CQSZACIVSA-N 2 1 309.385 1.351 20 10 DDCDMP Cc1cc(Cl)cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1O ZINC000843125169 702824949 /nfs/dbraw/zinc/82/49/49/702824949.db2.gz YVPBTUTVOXLYPZ-HNNXBMFYSA-N 2 1 309.841 1.834 20 10 DDCDMP COc1c(O)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1[N+](=O)[O-] ZINC000843126269 702825121 /nfs/dbraw/zinc/82/51/21/702825121.db2.gz HKWHMSKCXADUMU-TXEJJXNPSA-N 2 1 321.377 1.740 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1[N+](=O)[O-] ZINC000843126269 702825124 /nfs/dbraw/zinc/82/51/24/702825124.db2.gz HKWHMSKCXADUMU-TXEJJXNPSA-N 2 1 321.377 1.740 20 10 DDCDMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000857229954 704566754 /nfs/dbraw/zinc/56/67/54/704566754.db2.gz LWKWCBKZXUTXKS-AEFFLSMTSA-N 2 1 301.434 1.836 20 10 DDCDMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000857229954 704566755 /nfs/dbraw/zinc/56/67/55/704566755.db2.gz LWKWCBKZXUTXKS-AEFFLSMTSA-N 2 1 301.434 1.836 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)CO ZINC000824630004 705496426 /nfs/dbraw/zinc/49/64/26/705496426.db2.gz HEAXGJWNUOBBPZ-UHFFFAOYSA-N 2 1 305.466 1.889 20 10 DDCDMP COc1ccc(O)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000827698700 706051773 /nfs/dbraw/zinc/05/17/73/706051773.db2.gz AYDZAXYRKVRBOI-OAHLLOKOSA-N 2 1 306.406 1.432 20 10 DDCDMP CCc1cccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000827700034 706052091 /nfs/dbraw/zinc/05/20/91/706052091.db2.gz OKVTULSZHLNOPR-QGZVFWFLSA-N 2 1 304.434 1.986 20 10 DDCDMP CCc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000827700034 706052094 /nfs/dbraw/zinc/05/20/94/706052094.db2.gz OKVTULSZHLNOPR-QGZVFWFLSA-N 2 1 304.434 1.986 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000883443050 708003107 /nfs/dbraw/zinc/00/31/07/708003107.db2.gz YTPIBTSMUOLEGH-GJZGRUSLSA-N 2 1 304.438 1.084 20 10 DDCDMP Cc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c1O ZINC001276080548 854712425 /nfs/dbraw/zinc/71/24/25/854712425.db2.gz QKRSPUKHIZHVJZ-CALCHBBNSA-N 2 1 319.449 1.147 20 10 DDCDMP COc1cc(CN(C)[C@H]2CC[N@@H+](C)C2)cc(C[NH+](C)C)c1O ZINC001139256737 860339254 /nfs/dbraw/zinc/33/92/54/860339254.db2.gz IVLAVUNDLODHCD-HNNXBMFYSA-N 2 1 307.438 1.598 20 10 DDCDMP COc1cc(C[N@H+](C)[C@H]2CCN(C)C2)cc(C[NH+](C)C)c1O ZINC001139256737 860339258 /nfs/dbraw/zinc/33/92/58/860339258.db2.gz IVLAVUNDLODHCD-HNNXBMFYSA-N 2 1 307.438 1.598 20 10 DDCDMP COc1cc(C[N@@H+](C)[C@H]2CCN(C)C2)cc(C[NH+](C)C)c1O ZINC001139256737 860339268 /nfs/dbraw/zinc/33/92/68/860339268.db2.gz IVLAVUNDLODHCD-HNNXBMFYSA-N 2 1 307.438 1.598 20 10 DDCDMP CC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410979 860390047 /nfs/dbraw/zinc/39/00/47/860390047.db2.gz OFRSHSMVJBVHBD-QGZVFWFLSA-N 2 1 301.434 1.849 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H](O)C3)cc2)CC1 ZINC001139408290 860391028 /nfs/dbraw/zinc/39/10/28/860391028.db2.gz JYOFCMLUTHARNO-SFHVURJKSA-N 2 1 303.450 1.785 20 10 DDCDMP COC(=O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410860 860391349 /nfs/dbraw/zinc/39/13/49/860391349.db2.gz IRRFZUBIQXOVLN-UHFFFAOYSA-N 2 1 305.422 1.433 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC([NH3+])CC3)cc2F)CC1 ZINC001326188959 861173100 /nfs/dbraw/zinc/17/31/00/861173100.db2.gz UGOXDVUXVFOBQS-UHFFFAOYSA-N 2 1 306.429 1.501 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc2)CC1 ZINC001205102400 871365854 /nfs/dbraw/zinc/36/58/54/871365854.db2.gz RJQJMVGEYHDWIB-QGZVFWFLSA-N 3 1 302.466 1.752 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)cc2)CC1 ZINC001205102400 871365861 /nfs/dbraw/zinc/36/58/61/871365861.db2.gz RJQJMVGEYHDWIB-QGZVFWFLSA-N 2 1 302.466 1.752 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc2)CC1 ZINC001205102400 871365880 /nfs/dbraw/zinc/36/58/80/871365880.db2.gz RJQJMVGEYHDWIB-QGZVFWFLSA-N 2 1 302.466 1.752 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1C[NH3+] ZINC001205627428 871666647 /nfs/dbraw/zinc/66/66/47/871666647.db2.gz PNAILUYDZJFGGE-WMZOPIPTSA-N 3 1 316.493 1.903 20 10 DDCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205901744 871912689 /nfs/dbraw/zinc/91/26/89/871912689.db2.gz FWPLHAPUIPIORT-WBVHZDCISA-N 3 1 302.466 1.655 20 10 DDCDMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231638454 885774894 /nfs/dbraw/zinc/77/48/94/885774894.db2.gz BUFOCFMUMJHMKG-KBPBESRZSA-N 2 1 306.406 1.880 20 10 DDCDMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001237082601 889498021 /nfs/dbraw/zinc/49/80/21/889498021.db2.gz SOCBUGDAXUIBSC-JLYLLQBASA-N 3 1 314.477 1.798 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(OC)c1 ZINC001237401511 889617148 /nfs/dbraw/zinc/61/71/48/889617148.db2.gz DGGUDIVDWHGTFI-DOMZBBRYSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(OC)c1 ZINC001237401511 889617155 /nfs/dbraw/zinc/61/71/55/889617155.db2.gz DGGUDIVDWHGTFI-DOMZBBRYSA-N 2 1 306.406 1.983 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237406330 889620587 /nfs/dbraw/zinc/62/05/87/889620587.db2.gz UAPOLBSCCDOCDS-PKOBYXMFSA-N 3 1 314.477 1.670 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237406330 889620596 /nfs/dbraw/zinc/62/05/96/889620596.db2.gz UAPOLBSCCDOCDS-PKOBYXMFSA-N 2 1 314.477 1.670 20 10 DDCDMP CCN1CC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001262031390 899902035 /nfs/dbraw/zinc/90/20/35/899902035.db2.gz PXBMKCHXSJYEQE-INIZCTEOSA-N 2 1 320.456 1.761 20 10 DDCDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297495397 536403815 /nfs/dbraw/zinc/40/38/15/536403815.db2.gz BPESCMOKVYAIIN-AWEZNQCLSA-N 2 1 303.406 1.133 20 10 DDCDMP CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775658573 698019889 /nfs/dbraw/zinc/01/98/89/698019889.db2.gz NHEIJOFTGJCMOK-KRWDZBQOSA-N 2 1 316.449 1.149 20 10 DDCDMP CN(C)c1ccc(/C=C\C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000843044031 702807131 /nfs/dbraw/zinc/80/71/31/702807131.db2.gz AGELIXUOVJNTOM-PLNGDYQASA-N 2 1 316.449 1.129 20 10 DDCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000843044031 702807134 /nfs/dbraw/zinc/80/71/34/702807134.db2.gz AGELIXUOVJNTOM-PLNGDYQASA-N 2 1 316.449 1.129 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)C[NH3+] ZINC000843056601 702809686 /nfs/dbraw/zinc/80/96/86/702809686.db2.gz RWQKXFFHEOXXAC-UHFFFAOYSA-N 3 1 304.482 1.855 20 10 DDCDMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(O)c1 ZINC000843125442 702825054 /nfs/dbraw/zinc/82/50/54/702825054.db2.gz WPBGDQUNZKWTJE-HNNXBMFYSA-N 2 1 320.433 1.978 20 10 DDCDMP Oc1ccccc1C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000843356682 702865893 /nfs/dbraw/zinc/86/58/93/702865893.db2.gz VOJSIHLLTNFZDZ-KRWDZBQOSA-N 2 1 319.449 1.278 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844222395 702996270 /nfs/dbraw/zinc/99/62/70/702996270.db2.gz DFNSCMLBPPJYRG-ZBFHGGJFSA-N 2 1 318.465 1.380 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844222395 702996272 /nfs/dbraw/zinc/99/62/72/702996272.db2.gz DFNSCMLBPPJYRG-ZBFHGGJFSA-N 2 1 318.465 1.380 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1CO ZINC000857061299 704549264 /nfs/dbraw/zinc/54/92/64/704549264.db2.gz OBGCFGZVZNRVCV-FUHWJXTLSA-N 2 1 317.477 1.889 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000876506227 705738155 /nfs/dbraw/zinc/73/81/55/705738155.db2.gz HMSLEWYDKGJPSU-MRXNPFEDSA-N 2 1 320.481 1.847 20 10 DDCDMP CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC000827359461 705985589 /nfs/dbraw/zinc/98/55/89/705985589.db2.gz OGDLRNYTHDHLOZ-UHFFFAOYSA-N 2 1 316.449 1.103 20 10 DDCDMP COc1cccc(O)c1C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873227632 707776736 /nfs/dbraw/zinc/77/67/36/707776736.db2.gz MAQAVIHGUIHZLH-KOLCDFICSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1cccc(O)c1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873227632 707776742 /nfs/dbraw/zinc/77/67/42/707776742.db2.gz MAQAVIHGUIHZLH-KOLCDFICSA-N 2 1 304.312 1.970 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000903978267 711355751 /nfs/dbraw/zinc/35/57/51/711355751.db2.gz CNRQDDUBMDRHMH-DAYGRLMNSA-N 2 1 318.417 1.721 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1CC[NH3+] ZINC000903977497 711355777 /nfs/dbraw/zinc/35/57/77/711355777.db2.gz QNTYFVPQLKZDKC-SJLPKXTDSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1CC[NH3+] ZINC000903977497 711355779 /nfs/dbraw/zinc/35/57/79/711355779.db2.gz QNTYFVPQLKZDKC-SJLPKXTDSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1CC[NH3+] ZINC000903977497 711355781 /nfs/dbraw/zinc/35/57/81/711355781.db2.gz QNTYFVPQLKZDKC-SJLPKXTDSA-N 2 1 316.493 1.855 20 10 DDCDMP COc1ccc(N2CCC[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000923323202 714313876 /nfs/dbraw/zinc/31/38/76/714313876.db2.gz VKQADNNNBABHHB-JQFCIGGWSA-N 2 1 305.422 1.058 20 10 DDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001205210891 750533922 /nfs/dbraw/zinc/53/39/22/750533922.db2.gz SKQBXMJJVLDLLV-SFHVURJKSA-N 2 1 303.450 1.963 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[C@H]3O)cc2F)CC1 ZINC001326450658 861382462 /nfs/dbraw/zinc/38/24/62/861382462.db2.gz AUDYUGCWAMKRBW-MAUKXSAKSA-N 2 1 321.440 1.828 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001275912912 853931816 /nfs/dbraw/zinc/93/18/16/853931816.db2.gz HCOLHYLDMMUUKO-HOTGVXAUSA-N 2 1 307.413 1.742 20 10 DDCDMP CC[N@@H+](CCC(=O)OC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139260287 860340385 /nfs/dbraw/zinc/34/03/85/860340385.db2.gz KSYMAZGCJHZUMM-UHFFFAOYSA-N 2 1 324.421 1.847 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001140624369 860664743 /nfs/dbraw/zinc/66/47/43/860664743.db2.gz UARYNWCJKIWGDX-OAHLLOKOSA-N 2 1 305.422 1.343 20 10 DDCDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001140624369 860664747 /nfs/dbraw/zinc/66/47/47/860664747.db2.gz UARYNWCJKIWGDX-OAHLLOKOSA-N 2 1 305.422 1.343 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)ccc21 ZINC001222091523 880236655 /nfs/dbraw/zinc/23/66/55/880236655.db2.gz VODGSFBSDPXTFX-UHFFFAOYSA-N 2 1 314.477 1.596 20 10 DDCDMP CN(C)c1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC001232840280 886625814 /nfs/dbraw/zinc/62/58/14/886625814.db2.gz RCAAJISQOISAJU-UHFFFAOYSA-N 2 1 306.454 1.137 20 10 DDCDMP CC(C)(C)c1ccc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234992890 888315200 /nfs/dbraw/zinc/31/52/00/888315200.db2.gz UASRKWMXRYYJFJ-GOSISDBHSA-N 2 1 303.450 1.827 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193829 888466543 /nfs/dbraw/zinc/46/65/43/888466543.db2.gz QEGLHJFJBRJUIR-IAGOWNOFSA-N 3 1 300.450 1.138 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193829 888466554 /nfs/dbraw/zinc/46/65/54/888466554.db2.gz QEGLHJFJBRJUIR-IAGOWNOFSA-N 2 1 300.450 1.138 20 10 DDCDMP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236008117 889058949 /nfs/dbraw/zinc/05/89/49/889058949.db2.gz DCSQDZBGXBKJFT-QGZVFWFLSA-N 3 1 318.465 1.376 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236008117 889058960 /nfs/dbraw/zinc/05/89/60/889058960.db2.gz DCSQDZBGXBKJFT-QGZVFWFLSA-N 3 1 318.465 1.376 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217197 889147120 /nfs/dbraw/zinc/14/71/20/889147120.db2.gz NPAYWCVUPWXDKZ-MSOLQXFVSA-N 3 1 302.466 1.798 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217197 889147123 /nfs/dbraw/zinc/14/71/23/889147123.db2.gz NPAYWCVUPWXDKZ-MSOLQXFVSA-N 3 1 302.466 1.798 20 10 DDCDMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236420555 889230349 /nfs/dbraw/zinc/23/03/49/889230349.db2.gz PJWPXYZJEOQGGA-CZUORRHYSA-N 3 1 304.438 1.113 20 10 DDCDMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236420555 889230364 /nfs/dbraw/zinc/23/03/64/889230364.db2.gz PJWPXYZJEOQGGA-CZUORRHYSA-N 3 1 304.438 1.113 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC[C@@H]3O)cc2F)CC1 ZINC001261277512 899444854 /nfs/dbraw/zinc/44/48/54/899444854.db2.gz AUDYUGCWAMKRBW-QAPCUYQASA-N 2 1 321.440 1.828 20 10 DDCDMP CC(C)NC(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644304 698018726 /nfs/dbraw/zinc/01/87/26/698018726.db2.gz GSVFCUUTTIUSKI-UHFFFAOYSA-N 2 1 318.465 1.395 20 10 DDCDMP CC(C)NC(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644304 698018728 /nfs/dbraw/zinc/01/87/28/698018728.db2.gz GSVFCUUTTIUSKI-UHFFFAOYSA-N 2 1 318.465 1.395 20 10 DDCDMP COC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775691464 698023646 /nfs/dbraw/zinc/02/36/46/698023646.db2.gz XVBNCVQMESCAOH-QGZVFWFLSA-N 2 1 303.450 1.907 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CN1C ZINC000775986932 698057977 /nfs/dbraw/zinc/05/79/77/698057977.db2.gz SUAIXFMYVVIDND-SJORKVTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C[N@@H+]1C ZINC000775986932 698057981 /nfs/dbraw/zinc/05/79/81/698057981.db2.gz SUAIXFMYVVIDND-SJORKVTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C[N@H+]1C ZINC000775986932 698057987 /nfs/dbraw/zinc/05/79/87/698057987.db2.gz SUAIXFMYVVIDND-SJORKVTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000780784045 698559542 /nfs/dbraw/zinc/55/95/42/698559542.db2.gz DZPYGPNFJBETFZ-DOTOQJQBSA-N 2 1 303.450 1.641 20 10 DDCDMP CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1O ZINC000321453029 698727964 /nfs/dbraw/zinc/72/79/64/698727964.db2.gz XOGPASHDMHJPKF-CQSZACIVSA-N 2 1 321.421 1.078 20 10 DDCDMP Cc1cc(N(C)C)ccc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000840931845 702285767 /nfs/dbraw/zinc/28/57/67/702285767.db2.gz KVNQSWUWTFRPMZ-UHFFFAOYSA-N 2 1 318.465 1.315 20 10 DDCDMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)nn1 ZINC000841100386 702346070 /nfs/dbraw/zinc/34/60/70/702346070.db2.gz XCZQGZLJZYAZQP-CQSZACIVSA-N 2 1 305.357 1.419 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH2+]CC1 ZINC000843045111 702807148 /nfs/dbraw/zinc/80/71/48/702807148.db2.gz INOXHSSADJSSCU-UHFFFAOYSA-N 3 1 302.466 1.622 20 10 DDCDMP COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000843058990 702810000 /nfs/dbraw/zinc/81/00/00/702810000.db2.gz BPIRUQAYCCZNEL-WCFLWFBJSA-N 2 1 321.377 1.868 20 10 DDCDMP COc1c(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000843058990 702810003 /nfs/dbraw/zinc/81/00/03/702810003.db2.gz BPIRUQAYCCZNEL-WCFLWFBJSA-N 2 1 321.377 1.868 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000844226529 702997095 /nfs/dbraw/zinc/99/70/95/702997095.db2.gz NDIMCEPZWGNQIO-INIZCTEOSA-N 2 1 318.465 1.347 20 10 DDCDMP C[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850405867 703729792 /nfs/dbraw/zinc/72/97/92/703729792.db2.gz IJZVMHXIHQDOKE-UHFFFAOYSA-N 2 1 303.450 1.832 20 10 DDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1(C[NH3+])CCOCC1 ZINC000903809579 711287518 /nfs/dbraw/zinc/28/75/18/711287518.db2.gz FQRJLSUOXBSPHQ-UHFFFAOYSA-N 2 1 319.449 1.463 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1(C[NH3+])CCOCC1 ZINC000903809579 711287523 /nfs/dbraw/zinc/28/75/23/711287523.db2.gz FQRJLSUOXBSPHQ-UHFFFAOYSA-N 2 1 319.449 1.463 20 10 DDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923388713 714338195 /nfs/dbraw/zinc/33/81/95/714338195.db2.gz UARCPWRGYLCZLE-KRWDZBQOSA-N 2 1 319.449 1.442 20 10 DDCDMP COc1cc(C[N@H+]2CCCC[C@@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253089 757191882 /nfs/dbraw/zinc/19/18/82/757191882.db2.gz LFLYHIXVZLLKAX-OAHLLOKOSA-N 2 1 308.422 1.809 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)cc1C ZINC001133824046 770326746 /nfs/dbraw/zinc/32/67/46/770326746.db2.gz WMUHPKKHOZQNJJ-OAHLLOKOSA-N 2 1 319.449 1.694 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001276361008 855741746 /nfs/dbraw/zinc/74/17/46/855741746.db2.gz ZICXKUHYMFFNDP-UHFFFAOYSA-N 2 1 321.440 1.991 20 10 DDCDMP COC[C@@H]1CC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139256204 860338855 /nfs/dbraw/zinc/33/88/55/860338855.db2.gz WYMNMBHKVUSYFA-CYBMUJFWSA-N 2 1 308.422 1.931 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC[C@@H](O)C3)cc2F)CC1 ZINC001343495507 872646262 /nfs/dbraw/zinc/64/62/62/872646262.db2.gz CAQZQSHUWHTWLH-GDBMZVCRSA-N 2 1 321.440 1.828 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNC[C@H]3CCCC[NH2+]3)cc2F)CC1 ZINC001345100659 873255776 /nfs/dbraw/zinc/25/57/76/873255776.db2.gz TZRYGWMRRAMLLC-MRXNPFEDSA-N 2 1 320.456 1.809 20 10 DDCDMP C[C@@H]1CC[C@@H](NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[NH2+]1 ZINC001348437298 874556709 /nfs/dbraw/zinc/55/67/09/874556709.db2.gz VVJVAPOINPTZEV-GDBMZVCRSA-N 2 1 320.456 1.808 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1O ZINC001355364495 878521502 /nfs/dbraw/zinc/52/15/02/878521502.db2.gz XCZRAZDOPVIJKQ-DYVFJYSZSA-N 2 1 307.413 1.390 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1O ZINC001355364495 878521514 /nfs/dbraw/zinc/52/15/14/878521514.db2.gz XCZRAZDOPVIJKQ-DYVFJYSZSA-N 2 1 307.413 1.390 20 10 DDCDMP CCN(CC)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234989765 888308809 /nfs/dbraw/zinc/30/88/09/888308809.db2.gz SSRQUYPRFQXVIG-SFHVURJKSA-N 2 1 318.465 1.376 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCC[C@H](N4CC([NH3+])C4)C3)ccc21 ZINC001236072324 889095166 /nfs/dbraw/zinc/09/51/66/889095166.db2.gz GELQTCKKDAICJG-SFHVURJKSA-N 2 1 314.477 1.676 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CO)C3)c(F)c2)CC1 ZINC001236934059 889429737 /nfs/dbraw/zinc/42/97/37/889429737.db2.gz BJEPFKICKWAWQY-AWEZNQCLSA-N 2 1 307.413 1.392 20 10 DDCDMP CN(C)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000179239027 282288855 /nfs/dbraw/zinc/28/88/55/282288855.db2.gz OPKBHFWYWHHZLY-UHFFFAOYSA-N 2 1 304.482 1.822 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000368539822 418721504 /nfs/dbraw/zinc/72/15/04/418721504.db2.gz VOGAVWFZJDIIHZ-GZBFAFLISA-N 2 1 306.406 1.915 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000368539822 418721507 /nfs/dbraw/zinc/72/15/07/418721507.db2.gz VOGAVWFZJDIIHZ-GZBFAFLISA-N 2 1 306.406 1.915 20 10 DDCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1O ZINC000775745541 698028749 /nfs/dbraw/zinc/02/87/49/698028749.db2.gz XMFYJNZRQXIMES-FUHWJXTLSA-N 2 1 303.450 1.641 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(C(N)=O)C3)cc2)CC1 ZINC000793388583 699753623 /nfs/dbraw/zinc/75/36/23/699753623.db2.gz DMORWZIXRFNVLW-GOSISDBHSA-N 2 1 316.449 1.136 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)C3(C)C)cc2)CC1 ZINC000812778981 702235432 /nfs/dbraw/zinc/23/54/32/702235432.db2.gz SDCLQUDXKQDXEW-KRWDZBQOSA-N 2 1 303.450 1.784 20 10 DDCDMP CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817415346 702374652 /nfs/dbraw/zinc/37/46/52/702374652.db2.gz RKULAMVJEDWGJO-MRXNPFEDSA-N 2 1 316.449 1.006 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000843048174 702807914 /nfs/dbraw/zinc/80/79/14/702807914.db2.gz RSVGBLHTTCQLOU-CQSZACIVSA-N 2 1 322.428 1.179 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843053102 702809129 /nfs/dbraw/zinc/80/91/29/702809129.db2.gz YOJASJVHJKKLNC-BBRMVZONSA-N 2 1 307.413 1.831 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843053102 702809132 /nfs/dbraw/zinc/80/91/32/702809132.db2.gz YOJASJVHJKKLNC-BBRMVZONSA-N 2 1 307.413 1.831 20 10 DDCDMP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844227497 702997482 /nfs/dbraw/zinc/99/74/82/702997482.db2.gz WZRYQTNUZPKEIJ-ZBFHGGJFSA-N 2 1 318.465 1.286 20 10 DDCDMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844227497 702997484 /nfs/dbraw/zinc/99/74/84/702997484.db2.gz WZRYQTNUZPKEIJ-ZBFHGGJFSA-N 2 1 318.465 1.286 20 10 DDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc(C[NH3+])n2)cc1 ZINC000832267621 706882226 /nfs/dbraw/zinc/88/22/26/706882226.db2.gz XWDDDNYOAFJHSU-LBPRGKRZSA-N 2 1 319.434 1.098 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923483379 714370898 /nfs/dbraw/zinc/37/08/98/714370898.db2.gz ZYMINIUIWPHVMK-MRXNPFEDSA-N 2 1 318.465 1.382 20 10 DDCDMP CC[C@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001201017343 748389544 /nfs/dbraw/zinc/38/95/44/748389544.db2.gz FLMVGQBHLDFRFR-HNNXBMFYSA-N 2 1 309.429 1.828 20 10 DDCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CCCC2)cc1 ZINC001118179131 781055047 /nfs/dbraw/zinc/05/50/47/781055047.db2.gz LMOZUHWHFMRIOU-UHFFFAOYSA-N 2 1 302.466 1.624 20 10 DDCDMP C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001119519483 781493073 /nfs/dbraw/zinc/49/30/73/781493073.db2.gz MVWPHTDRXHGDEJ-ZBFHGGJFSA-N 2 1 321.440 1.923 20 10 DDCDMP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001119519483 781493079 /nfs/dbraw/zinc/49/30/79/781493079.db2.gz MVWPHTDRXHGDEJ-ZBFHGGJFSA-N 2 1 321.440 1.923 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3COCCO3)cc2F)CC1 ZINC001327191980 861955052 /nfs/dbraw/zinc/95/50/52/861955052.db2.gz JYYWTMVYIZAXAU-OAHLLOKOSA-N 2 1 323.412 1.083 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN[C@H]3CCC[NH2+]C3)cc2F)CC1 ZINC001327414734 862155448 /nfs/dbraw/zinc/15/54/48/862155448.db2.gz DLJMLCOYXJSPKS-HNNXBMFYSA-N 2 1 306.429 1.419 20 10 DDCDMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001275275295 852944429 /nfs/dbraw/zinc/94/44/29/852944429.db2.gz FQKXMPLNHDHOQT-IRXDYDNUSA-N 2 1 319.449 1.611 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)[NH2+]1 ZINC001326199420 861184049 /nfs/dbraw/zinc/18/40/49/861184049.db2.gz JHKVWTXJICGINX-GASCZTMLSA-N 2 1 320.456 1.760 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CC[NH2+]C1 ZINC001329428584 863659535 /nfs/dbraw/zinc/65/95/35/863659535.db2.gz SVWZBFCOQBUZJA-HNNXBMFYSA-N 2 1 306.429 1.371 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC4(COC4)C3)cc2F)CC1 ZINC001330408804 864319261 /nfs/dbraw/zinc/31/92/61/864319261.db2.gz BIKCHCFIQMQGFE-UHFFFAOYSA-N 2 1 319.424 1.800 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(COC4)C3)cc2F)CC1 ZINC001330408804 864319274 /nfs/dbraw/zinc/31/92/74/864319274.db2.gz BIKCHCFIQMQGFE-UHFFFAOYSA-N 2 1 319.424 1.800 20 10 DDCDMP COc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205102543 871365609 /nfs/dbraw/zinc/36/56/09/871365609.db2.gz SUOQDMDYNJVTFW-HNNXBMFYSA-N 3 1 307.438 1.776 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205102543 871365624 /nfs/dbraw/zinc/36/56/24/871365624.db2.gz SUOQDMDYNJVTFW-HNNXBMFYSA-N 3 1 307.438 1.776 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1C[NH3+] ZINC001205317917 871495496 /nfs/dbraw/zinc/49/54/96/871495496.db2.gz QRTFLJHSTZOLNY-ZBFHGGJFSA-N 3 1 318.465 1.219 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206520219 872406859 /nfs/dbraw/zinc/40/68/59/872406859.db2.gz QUKDXAPNQVPYDD-HOCLYGCPSA-N 2 1 307.438 1.293 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206520219 872406871 /nfs/dbraw/zinc/40/68/71/872406871.db2.gz QUKDXAPNQVPYDD-HOCLYGCPSA-N 2 1 307.438 1.293 20 10 DDCDMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(N)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001235351702 888575962 /nfs/dbraw/zinc/57/59/62/888575962.db2.gz IIICJVXYPZTOLF-YJBOKZPZSA-N 2 1 317.433 1.634 20 10 DDCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC001236093563 889100926 /nfs/dbraw/zinc/10/09/26/889100926.db2.gz SCIUSFYUXRPDRD-IYBDPMFKSA-N 2 1 316.449 1.128 20 10 DDCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC001236093563 889100931 /nfs/dbraw/zinc/10/09/31/889100931.db2.gz SCIUSFYUXRPDRD-IYBDPMFKSA-N 2 1 316.449 1.128 20 10 DDCDMP CCC[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@H]1CC[NH2+]C1 ZINC001236843799 889384333 /nfs/dbraw/zinc/38/43/33/889384333.db2.gz REWMRDYQTZIUKR-AWEZNQCLSA-N 3 1 319.449 1.696 20 10 DDCDMP CCC[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C[C@H]1CC[NH2+]C1 ZINC001236843799 889384343 /nfs/dbraw/zinc/38/43/43/889384343.db2.gz REWMRDYQTZIUKR-AWEZNQCLSA-N 2 1 319.449 1.696 20 10 DDCDMP CCC[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C[C@H]1CC[NH2+]C1 ZINC001236843799 889384353 /nfs/dbraw/zinc/38/43/53/889384353.db2.gz REWMRDYQTZIUKR-AWEZNQCLSA-N 2 1 319.449 1.696 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)CC3)c(F)c2)CC1 ZINC001236932456 889430669 /nfs/dbraw/zinc/43/06/69/889430669.db2.gz OTURUEXBRXSETD-QGZVFWFLSA-N 2 1 321.440 1.924 20 10 DDCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001237080247 889498425 /nfs/dbraw/zinc/49/84/25/889498425.db2.gz GETFKMBRTPOFMH-SFHVURJKSA-N 3 1 318.465 1.363 20 10 DDCDMP COC(=O)Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(O)c1 ZINC001249173004 893850719 /nfs/dbraw/zinc/85/07/19/893850719.db2.gz PLDYNKYVQLUXSP-UHFFFAOYSA-N 2 1 306.406 1.634 20 10 DDCDMP CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817415345 702374535 /nfs/dbraw/zinc/37/45/35/702374535.db2.gz RKULAMVJEDWGJO-INIZCTEOSA-N 2 1 316.449 1.006 20 10 DDCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895842 702511948 /nfs/dbraw/zinc/51/19/48/702511948.db2.gz WXEQIIYPFMDFTE-QZTJIDSGSA-N 2 1 303.450 1.865 20 10 DDCDMP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817944733 702532721 /nfs/dbraw/zinc/53/27/21/702532721.db2.gz KOWKOZVGTRIIHL-NSHDSACASA-N 2 1 317.355 1.967 20 10 DDCDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000843123073 702824280 /nfs/dbraw/zinc/82/42/80/702824280.db2.gz YYFUTGMSBGCOAH-CYBMUJFWSA-N 2 1 309.385 1.351 20 10 DDCDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000843123073 702824283 /nfs/dbraw/zinc/82/42/83/702824283.db2.gz YYFUTGMSBGCOAH-CYBMUJFWSA-N 2 1 309.385 1.351 20 10 DDCDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162731 702980622 /nfs/dbraw/zinc/98/06/22/702980622.db2.gz NTRNEQRLSJUMOQ-VBQJREDUSA-N 2 1 318.465 1.741 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000844222465 702996246 /nfs/dbraw/zinc/99/62/46/702996246.db2.gz GASZPXQMQHJRFZ-MRXNPFEDSA-N 2 1 318.465 1.430 20 10 DDCDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000857782883 704624962 /nfs/dbraw/zinc/62/49/62/704624962.db2.gz ILFFXVRTCKPSLS-UHFFFAOYSA-N 2 1 318.396 1.728 20 10 DDCDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834570079 707088446 /nfs/dbraw/zinc/08/84/46/707088446.db2.gz CLBQGFGSYVIZOT-HUUCEWRRSA-N 2 1 317.433 1.557 20 10 DDCDMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851424 707392658 /nfs/dbraw/zinc/39/26/58/707392658.db2.gz JXNVEKRBGKWVID-QGZVFWFLSA-N 2 1 316.449 1.149 20 10 DDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@]2(C)C1 ZINC000904436421 711858310 /nfs/dbraw/zinc/85/83/10/711858310.db2.gz KZZYQIFOMOXPQR-PVUWLOKVSA-N 2 1 304.390 1.202 20 10 DDCDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@]2(C)C1 ZINC000904436421 711858311 /nfs/dbraw/zinc/85/83/11/711858311.db2.gz KZZYQIFOMOXPQR-PVUWLOKVSA-N 2 1 304.390 1.202 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@]2(C)C1 ZINC000904436421 711858312 /nfs/dbraw/zinc/85/83/12/711858312.db2.gz KZZYQIFOMOXPQR-PVUWLOKVSA-N 2 1 304.390 1.202 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@]2(C)C1 ZINC000904436421 711858313 /nfs/dbraw/zinc/85/83/13/711858313.db2.gz KZZYQIFOMOXPQR-PVUWLOKVSA-N 2 1 304.390 1.202 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001275217386 852904369 /nfs/dbraw/zinc/90/43/69/852904369.db2.gz LLNUFMNTNCHDOF-UHFFFAOYSA-N 2 1 309.841 1.725 20 10 DDCDMP Cc1cccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1O ZINC001276080253 854712700 /nfs/dbraw/zinc/71/27/00/854712700.db2.gz MGQQFGHIPJXLDP-DOTOQJQBSA-N 2 1 303.450 1.768 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259160 860341238 /nfs/dbraw/zinc/34/12/38/860341238.db2.gz KGWANKUWKMEFNS-HOCLYGCPSA-N 2 1 320.433 1.931 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1O ZINC001139408610 860389747 /nfs/dbraw/zinc/38/97/47/860389747.db2.gz NKYORJSNWWDFFQ-CRAIPNDOSA-N 2 1 303.450 1.641 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H]3C)cc2)CC1 ZINC001140301854 860614597 /nfs/dbraw/zinc/61/45/97/860614597.db2.gz BMXNYGMVYMQLLH-CRAIPNDOSA-N 2 1 303.450 1.784 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H](O)C3)cc2)CC1 ZINC001140302345 860615133 /nfs/dbraw/zinc/61/51/33/860615133.db2.gz OUNFLSBHNRRSAZ-SFHVURJKSA-N 2 1 319.449 1.022 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)CCO)cc2F)CC1 ZINC001324924513 867629722 /nfs/dbraw/zinc/62/97/22/867629722.db2.gz SRRXJMGTLXFEFB-UHFFFAOYSA-N 2 1 309.429 1.828 20 10 DDCDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC)c1O ZINC001203595449 870658156 /nfs/dbraw/zinc/65/81/56/870658156.db2.gz AOAUNYDTNMNPQX-UHFFFAOYSA-N 2 1 324.421 1.718 20 10 DDCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC)c1O ZINC001203595449 870658162 /nfs/dbraw/zinc/65/81/62/870658162.db2.gz AOAUNYDTNMNPQX-UHFFFAOYSA-N 2 1 324.421 1.718 20 10 DDCDMP COc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c(OC)c1 ZINC001205724897 871752222 /nfs/dbraw/zinc/75/22/22/871752222.db2.gz AEOCMTRDFARZBT-INIZCTEOSA-N 2 1 310.394 1.085 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOCCC[NH3+])cc2F)CC1 ZINC001348435546 874556727 /nfs/dbraw/zinc/55/67/27/874556727.db2.gz GHUZKMAKEBEYQB-UHFFFAOYSA-N 3 1 324.444 1.033 20 10 DDCDMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(N)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001222136637 880278969 /nfs/dbraw/zinc/27/89/69/880278969.db2.gz VCLQFSCQAMFUEL-YJBOKZPZSA-N 2 1 317.433 1.634 20 10 DDCDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053971 888372252 /nfs/dbraw/zinc/37/22/52/888372252.db2.gz NBMPCSBGGJFZCR-LJQANCHMSA-N 2 1 314.477 1.814 20 10 DDCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053971 888372262 /nfs/dbraw/zinc/37/22/62/888372262.db2.gz NBMPCSBGGJFZCR-LJQANCHMSA-N 2 1 314.477 1.814 20 10 DDCDMP CCOC(=O)[C@]12C[N@@H+](Cc3ccccc3O)C[C@H]1C[NH2+]CC2 ZINC001236036999 889070252 /nfs/dbraw/zinc/07/02/52/889070252.db2.gz BVHWXPLHZLTDOX-RHSMWYFYSA-N 2 1 304.390 1.367 20 10 DDCDMP C[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222291 889148724 /nfs/dbraw/zinc/14/87/24/889148724.db2.gz HMZSANSQQAMXNW-SHTZXODSSA-N 3 1 305.422 1.576 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222291 889148731 /nfs/dbraw/zinc/14/87/31/889148731.db2.gz HMZSANSQQAMXNW-SHTZXODSSA-N 2 1 305.422 1.576 20 10 DDCDMP C[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222291 889148734 /nfs/dbraw/zinc/14/87/34/889148734.db2.gz HMZSANSQQAMXNW-SHTZXODSSA-N 2 1 305.422 1.576 20 10 DDCDMP COc1cc(O)c(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1OC ZINC001236751734 889331388 /nfs/dbraw/zinc/33/13/88/889331388.db2.gz XRPNDEHBNPVOML-UHFFFAOYSA-N 2 1 323.437 1.089 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CO)C3)c(F)c2)CC1 ZINC001236933439 889429675 /nfs/dbraw/zinc/42/96/75/889429675.db2.gz XHZMMOQEBIRECA-HNNXBMFYSA-N 2 1 321.440 1.782 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+](CCO)C3CCC3)cc2F)CC1 ZINC001255503931 896981575 /nfs/dbraw/zinc/98/15/75/896981575.db2.gz HSKUOMNUDJLGJM-UHFFFAOYSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)C3CCC3)cc2F)CC1 ZINC001255503931 896981583 /nfs/dbraw/zinc/98/15/83/896981583.db2.gz HSKUOMNUDJLGJM-UHFFFAOYSA-N 2 1 321.440 1.924 20 10 DDCDMP COc1ccc(O)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282443351 409054684 /nfs/dbraw/zinc/05/46/84/409054684.db2.gz UQFRWDITXAAGPI-UHFFFAOYSA-N 2 1 307.438 1.516 20 10 DDCDMP CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775737421 698027555 /nfs/dbraw/zinc/02/75/55/698027555.db2.gz UTXUELJTICCOAM-OAHLLOKOSA-N 2 1 318.465 1.252 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@]1(C)CO ZINC000827700868 706052769 /nfs/dbraw/zinc/05/27/69/706052769.db2.gz YMTDUYHKRPTKGB-QFBILLFUSA-N 2 1 317.477 1.889 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1O ZINC001139408612 860390857 /nfs/dbraw/zinc/39/08/57/860390857.db2.gz NKYORJSNWWDFFQ-QAPCUYQASA-N 2 1 303.450 1.641 20 10 DDCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001140184611 860588658 /nfs/dbraw/zinc/58/86/58/860588658.db2.gz BSMOUOKNQJEBJY-OAHLLOKOSA-N 2 1 319.449 1.651 20 10 DDCDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001140184611 860588665 /nfs/dbraw/zinc/58/86/65/860588665.db2.gz BSMOUOKNQJEBJY-OAHLLOKOSA-N 2 1 319.449 1.651 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](O)C3(C)C)cc2F)CC1 ZINC001320472796 866762871 /nfs/dbraw/zinc/76/28/71/866762871.db2.gz PCGZIUKPJWEPNI-SJORKVTESA-N 2 1 321.440 1.827 20 10 DDCDMP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001205140198 871391547 /nfs/dbraw/zinc/39/15/47/871391547.db2.gz CHVSHKLFTPVVRL-SWLSCSKDSA-N 3 1 307.438 1.489 20 10 DDCDMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001205140198 871391565 /nfs/dbraw/zinc/39/15/65/871391565.db2.gz CHVSHKLFTPVVRL-SWLSCSKDSA-N 3 1 307.438 1.489 20 10 DDCDMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001206808752 872610227 /nfs/dbraw/zinc/61/02/27/872610227.db2.gz KFHXYVRKTKXEPK-STQMWFEESA-N 3 1 305.422 1.433 20 10 DDCDMP CN1CC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001355300602 878492323 /nfs/dbraw/zinc/49/23/23/878492323.db2.gz BGLRCRHCVPXBKN-OAHLLOKOSA-N 2 1 306.429 1.371 20 10 DDCDMP COc1cc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(Cl)c1 ZINC001234986937 888300183 /nfs/dbraw/zinc/30/01/83/888300183.db2.gz CXYLNVZTRAJFLO-HNNXBMFYSA-N 2 1 311.813 1.192 20 10 DDCDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236936962 889432671 /nfs/dbraw/zinc/43/26/71/889432671.db2.gz VWDCJWBWIDSFKK-MRXNPFEDSA-N 2 1 307.413 1.798 20 10 DDCDMP CN1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775634677 698016906 /nfs/dbraw/zinc/01/69/06/698016906.db2.gz TYOGDJQUUNGTSI-UHFFFAOYSA-N 2 1 302.466 1.576 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC[N@H+](C)CC3)cc2)CC1 ZINC000775634677 698016908 /nfs/dbraw/zinc/01/69/08/698016908.db2.gz TYOGDJQUUNGTSI-UHFFFAOYSA-N 2 1 302.466 1.576 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000775634677 698016913 /nfs/dbraw/zinc/01/69/13/698016913.db2.gz TYOGDJQUUNGTSI-UHFFFAOYSA-N 2 1 302.466 1.576 20 10 DDCDMP CCC[N@@H+](CC(=O)NC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775662211 698020605 /nfs/dbraw/zinc/02/06/05/698020605.db2.gz DTSVKSBWYCFULS-UHFFFAOYSA-N 2 1 318.465 1.396 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4C[C@@]4(CO)C3)cc2)CC1 ZINC000783735792 698872504 /nfs/dbraw/zinc/87/25/04/698872504.db2.gz SGOLMWNUEOZMBI-AEFFLSMTSA-N 2 1 301.434 1.253 20 10 DDCDMP COc1cc(Br)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841078045 702338134 /nfs/dbraw/zinc/33/81/34/702338134.db2.gz QYRBBCRTQPJXHL-IAZYJMLFSA-N 2 1 313.195 1.471 20 10 DDCDMP COc1cccc(O)c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088084 702341036 /nfs/dbraw/zinc/34/10/36/702341036.db2.gz WHIPZZVSEGGLPP-UHFFFAOYSA-N 2 1 319.449 1.707 20 10 DDCDMP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817944732 702532326 /nfs/dbraw/zinc/53/23/26/702532326.db2.gz KOWKOZVGTRIIHL-LLVKDONJSA-N 2 1 317.355 1.967 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1O ZINC000846145934 703242526 /nfs/dbraw/zinc/24/25/26/703242526.db2.gz QSKHUAKBFIGRIT-ZDUSSCGKSA-N 2 1 308.422 1.898 20 10 DDCDMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846219955 703252627 /nfs/dbraw/zinc/25/26/27/703252627.db2.gz DMMMJDLNGVPNGL-QGZVFWFLSA-N 2 1 307.438 1.178 20 10 DDCDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000818973199 704039514 /nfs/dbraw/zinc/03/95/14/704039514.db2.gz NPHWAKOTLNWVGG-SFHVURJKSA-N 2 1 319.449 1.068 20 10 DDCDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000818973199 704039519 /nfs/dbraw/zinc/03/95/19/704039519.db2.gz NPHWAKOTLNWVGG-SFHVURJKSA-N 2 1 319.449 1.068 20 10 DDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnc(C[NH3+])s2)cc1 ZINC000911667139 710916881 /nfs/dbraw/zinc/91/68/81/710916881.db2.gz OAZOXDFSWHWNGI-LBPRGKRZSA-N 2 1 319.434 1.098 20 10 DDCDMP COc1cc(C)cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000894770975 711265641 /nfs/dbraw/zinc/26/56/41/711265641.db2.gz UNKNWPVOHGSWKG-UHFFFAOYSA-N 2 1 321.465 1.779 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC001117953685 780961441 /nfs/dbraw/zinc/96/14/41/780961441.db2.gz LQQQVWKRANTQTP-HNNXBMFYSA-N 3 1 320.456 1.667 20 10 DDCDMP C[NH2+][C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326501451 861409767 /nfs/dbraw/zinc/40/97/67/861409767.db2.gz FINMOCWWFWRRMG-HNNXBMFYSA-N 2 1 306.429 1.371 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3COCCO3)cc2F)CC1 ZINC001327191979 861955797 /nfs/dbraw/zinc/95/57/97/861955797.db2.gz JYYWTMVYIZAXAU-HNNXBMFYSA-N 2 1 323.412 1.083 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001275418918 853097092 /nfs/dbraw/zinc/09/70/92/853097092.db2.gz MDBVHXHWMYHWKK-UHFFFAOYSA-N 2 1 319.449 1.557 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC(=O)[C@@H](F)CC3)cc2)CC1 ZINC001139407956 860390629 /nfs/dbraw/zinc/39/06/29/860390629.db2.gz HVHVMILQPWAOBI-KRWDZBQOSA-N 2 1 319.424 1.941 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC(=O)[C@@H](F)CC3)cc2)CC1 ZINC001139407956 860390634 /nfs/dbraw/zinc/39/06/34/860390634.db2.gz HVHVMILQPWAOBI-KRWDZBQOSA-N 2 1 319.424 1.941 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)CC(=O)N(C)C)cc2)CC1 ZINC001140304638 860615351 /nfs/dbraw/zinc/61/53/51/860615351.db2.gz WYRWCBHPOMCUIE-UHFFFAOYSA-N 2 1 318.465 1.349 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC(=O)N(C)C)cc2)CC1 ZINC001140304638 860615355 /nfs/dbraw/zinc/61/53/55/860615355.db2.gz WYRWCBHPOMCUIE-UHFFFAOYSA-N 2 1 318.465 1.349 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)cc2)CC1 ZINC001325902932 860943219 /nfs/dbraw/zinc/94/32/19/860943219.db2.gz LKAWZVMIPWMGMB-QGZVFWFLSA-N 2 1 301.434 1.395 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1(O)CCC1 ZINC001320181205 866537859 /nfs/dbraw/zinc/53/78/59/866537859.db2.gz RNDMOBYDPRMMKX-UHFFFAOYSA-N 2 1 321.440 1.924 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1(O)CCC1 ZINC001320181205 866537880 /nfs/dbraw/zinc/53/78/80/866537880.db2.gz RNDMOBYDPRMMKX-UHFFFAOYSA-N 2 1 321.440 1.924 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CC[C@@H](CC[NH3+])C3)cc2F)CC1 ZINC001336119379 868742191 /nfs/dbraw/zinc/74/21/91/868742191.db2.gz RFYFGODEWWSFAO-OAHLLOKOSA-N 2 1 320.456 1.748 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cc2F)CC1 ZINC001336119379 868742195 /nfs/dbraw/zinc/74/21/95/868742195.db2.gz RFYFGODEWWSFAO-OAHLLOKOSA-N 3 1 320.456 1.748 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CC[NH3+])C3)cc2F)CC1 ZINC001336119379 868742201 /nfs/dbraw/zinc/74/22/01/868742201.db2.gz RFYFGODEWWSFAO-OAHLLOKOSA-N 3 1 320.456 1.748 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CCC3)cc2F)CC1 ZINC001337278847 869414640 /nfs/dbraw/zinc/41/46/40/869414640.db2.gz GQBYQBKXVVUGHP-UHFFFAOYSA-N 2 1 306.429 1.373 20 10 DDCDMP CN1CCN(c2ccc(C[NH+]3CCC(C[NH3+])CC3)c(F)c2)CC1 ZINC001205053866 871344721 /nfs/dbraw/zinc/34/47/21/871344721.db2.gz ROBGYHWTNLZYCU-UHFFFAOYSA-N 2 1 320.456 1.748 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235939577 889022975 /nfs/dbraw/zinc/02/29/75/889022975.db2.gz PXBIUMRZGZOQMO-DLBZAZTESA-N 3 1 300.450 1.138 20 10 DDCDMP CCOC(=O)[C@]12C[N@@H+](Cc3c(C)cccc3O)C[C@H]1C[NH2+]CC2 ZINC001236039877 889077339 /nfs/dbraw/zinc/07/73/39/889077339.db2.gz DZTMSPIVUSBLNA-RDTXWAMCSA-N 2 1 318.417 1.675 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215846 889146423 /nfs/dbraw/zinc/14/64/23/889146423.db2.gz IQDIJHGPYYFVAK-IRXDYDNUSA-N 3 1 318.465 1.504 20 10 DDCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215846 889146430 /nfs/dbraw/zinc/14/64/30/889146430.db2.gz IQDIJHGPYYFVAK-IRXDYDNUSA-N 2 1 318.465 1.504 20 10 DDCDMP C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933030 889430227 /nfs/dbraw/zinc/43/02/27/889430227.db2.gz SNVXVVPDRRADFX-ZBFHGGJFSA-N 2 1 321.440 1.780 20 10 DDCDMP COc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000277681015 408990292 /nfs/dbraw/zinc/99/02/92/408990292.db2.gz GUGDULVXSYVPSG-CQSZACIVSA-N 2 1 308.422 1.991 20 10 DDCDMP COc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000277680990 408991018 /nfs/dbraw/zinc/99/10/18/408991018.db2.gz GUGDULVXSYVPSG-AWEZNQCLSA-N 2 1 308.422 1.991 20 10 DDCDMP CN(CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2)CC[NH+](C)C ZINC000290143013 409308724 /nfs/dbraw/zinc/30/87/24/409308724.db2.gz KLTJICFQORFXOX-UHFFFAOYSA-N 2 1 323.437 1.436 20 10 DDCDMP COc1c(O)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000841029164 702315752 /nfs/dbraw/zinc/31/57/52/702315752.db2.gz VCTXNTZNQCRMBI-JQWIXIFHSA-N 2 1 309.366 1.916 20 10 DDCDMP CN1C[C@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000814174120 702491474 /nfs/dbraw/zinc/49/14/74/702491474.db2.gz YYBXNYLVJPYONG-IEBWSBKVSA-N 2 1 314.477 1.574 20 10 DDCDMP C[N@@H+]1C[C@H]2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000814174120 702491476 /nfs/dbraw/zinc/49/14/76/702491476.db2.gz YYBXNYLVJPYONG-IEBWSBKVSA-N 2 1 314.477 1.574 20 10 DDCDMP C[N@H+]1C[C@H]2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000814174120 702491479 /nfs/dbraw/zinc/49/14/79/702491479.db2.gz YYBXNYLVJPYONG-IEBWSBKVSA-N 2 1 314.477 1.574 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000843048173 702807805 /nfs/dbraw/zinc/80/78/05/702807805.db2.gz RSVGBLHTTCQLOU-AWEZNQCLSA-N 2 1 322.428 1.179 20 10 DDCDMP CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(O)c1 ZINC000843122605 702824183 /nfs/dbraw/zinc/82/41/83/702824183.db2.gz NKFSGUXQQOVBLL-OAHLLOKOSA-N 2 1 305.422 1.270 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1CO ZINC000857061301 704549339 /nfs/dbraw/zinc/54/93/39/704549339.db2.gz OBGCFGZVZNRVCV-WMZOPIPTSA-N 2 1 317.477 1.889 20 10 DDCDMP [NH3+]CCCOCC[NH2+]Cc1cccc(Br)c1O ZINC000863484003 705938288 /nfs/dbraw/zinc/93/82/88/705938288.db2.gz GIQUDBNDFPPUPW-UHFFFAOYSA-N 2 1 303.200 1.610 20 10 DDCDMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1N(C)C ZINC000923365017 714328726 /nfs/dbraw/zinc/32/87/26/714328726.db2.gz FANLFSVJHPURST-KRWDZBQOSA-N 2 1 302.466 1.541 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[C@@H]1F ZINC001206197347 777106100 /nfs/dbraw/zinc/10/61/00/777106100.db2.gz HTQHFTRLYWQTRA-KBPBESRZSA-N 3 1 309.385 1.135 20 10 DDCDMP C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116543830 780521386 /nfs/dbraw/zinc/52/13/86/780521386.db2.gz DGLJXPPIYLBCDS-UONOGXRCSA-N 2 1 309.429 1.827 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC3(O)CCC3)cc2F)CC1 ZINC001323364451 866564536 /nfs/dbraw/zinc/56/45/36/866564536.db2.gz YSPDWZKCDBKWBE-UHFFFAOYSA-N 2 1 321.440 1.972 20 10 DDCDMP CC[C@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308184385 871477131 /nfs/dbraw/zinc/47/71/31/871477131.db2.gz HFRJGIMTUJZKGB-QGZVFWFLSA-N 2 1 309.429 1.828 20 10 DDCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205570738 871636804 /nfs/dbraw/zinc/63/68/04/871636804.db2.gz NSCKPJWQMWEDNR-GOSISDBHSA-N 3 1 320.456 1.749 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001355364499 878521633 /nfs/dbraw/zinc/52/16/33/878521633.db2.gz XCZRAZDOPVIJKQ-SUMWQHHRSA-N 2 1 307.413 1.390 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001355364499 878521647 /nfs/dbraw/zinc/52/16/47/878521647.db2.gz XCZRAZDOPVIJKQ-SUMWQHHRSA-N 2 1 307.413 1.390 20 10 DDCDMP Cc1cc(Cl)cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222104601 880257333 /nfs/dbraw/zinc/25/73/33/880257333.db2.gz ISGJTJDKUXVZKN-UHFFFAOYSA-N 2 1 309.841 1.881 20 10 DDCDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000377629361 418711247 /nfs/dbraw/zinc/71/12/47/418711247.db2.gz RIJBTEYMNGTCIC-HNNXBMFYSA-N 2 1 321.440 1.991 20 10 DDCDMP CCOc1ccc(O)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000729684551 699485097 /nfs/dbraw/zinc/48/50/97/699485097.db2.gz QOOPPDRJPJLEEM-UHFFFAOYSA-N 2 1 321.465 1.908 20 10 DDCDMP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000817889570 702509838 /nfs/dbraw/zinc/50/98/38/702509838.db2.gz PMOJIIXFBMDIOD-HYVNUMGLSA-N 2 1 316.449 1.358 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C ZINC000843047946 702807994 /nfs/dbraw/zinc/80/79/94/702807994.db2.gz CRLFXVMQNOQFQT-CQSZACIVSA-N 2 1 305.422 1.296 20 10 DDCDMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(O)c1 ZINC000843125443 702825088 /nfs/dbraw/zinc/82/50/88/702825088.db2.gz WPBGDQUNZKWTJE-OAHLLOKOSA-N 2 1 320.433 1.978 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@@]4(C)C3)cc2)CC1 ZINC000827280053 705967859 /nfs/dbraw/zinc/96/78/59/705967859.db2.gz CZLLBUMIYOTQFT-IEBWSBKVSA-N 2 1 315.461 1.907 20 10 DDCDMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1N(C)C ZINC000923365020 714328869 /nfs/dbraw/zinc/32/88/69/714328869.db2.gz FANLFSVJHPURST-QGZVFWFLSA-N 2 1 302.466 1.541 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001275821733 853818530 /nfs/dbraw/zinc/81/85/30/853818530.db2.gz YIAPNFPILQJPRO-CABCVRRESA-N 2 1 305.422 1.166 20 10 DDCDMP COc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139258175 860338777 /nfs/dbraw/zinc/33/87/77/860338777.db2.gz MJCWGOQXOHOPNU-GOEBONIOSA-N 2 1 319.449 1.598 20 10 DDCDMP CN1CCC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139404324 860388031 /nfs/dbraw/zinc/38/80/31/860388031.db2.gz AHRSYAVOPFTKAC-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H](O)C3)cc2)CC1 ZINC001140302344 860615439 /nfs/dbraw/zinc/61/54/39/860615439.db2.gz OUNFLSBHNRRSAZ-GOSISDBHSA-N 2 1 319.449 1.022 20 10 DDCDMP C[C@@H]1[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCN1C ZINC001332351004 865781954 /nfs/dbraw/zinc/78/19/54/865781954.db2.gz BBTONAALCIMKAX-RHSMWYFYSA-N 2 1 320.456 1.760 20 10 DDCDMP CC[C@@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308184384 871477463 /nfs/dbraw/zinc/47/74/63/871477463.db2.gz HFRJGIMTUJZKGB-KRWDZBQOSA-N 2 1 309.429 1.828 20 10 DDCDMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(O)c1OC ZINC001308984390 871544103 /nfs/dbraw/zinc/54/41/03/871544103.db2.gz IGOGPNQRTOUGBN-MELADBBJSA-N 2 1 306.406 1.839 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651212 871675805 /nfs/dbraw/zinc/67/58/05/871675805.db2.gz BBNBYUOXWRDSRH-ZIAGYGMSSA-N 3 1 319.449 1.681 20 10 DDCDMP C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651212 871675813 /nfs/dbraw/zinc/67/58/13/871675813.db2.gz BBNBYUOXWRDSRH-ZIAGYGMSSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651212 871675821 /nfs/dbraw/zinc/67/58/21/871675821.db2.gz BBNBYUOXWRDSRH-ZIAGYGMSSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205844832 871859325 /nfs/dbraw/zinc/85/93/25/871859325.db2.gz YMORCAPIGVAPLJ-WMLDXEAASA-N 3 1 318.465 1.361 20 10 DDCDMP Oc1cc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1Cl ZINC001222099793 880253825 /nfs/dbraw/zinc/25/38/25/880253825.db2.gz KWZZQHGECJMRBJ-UHFFFAOYSA-N 2 1 311.813 1.279 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCCC13CC[NH2+]CC3)C[NH2+]CCO2 ZINC001235145980 888440604 /nfs/dbraw/zinc/44/06/04/888440604.db2.gz ZXGOILANIOYTIL-UHFFFAOYSA-N 3 1 317.433 1.592 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(O)C3)c(F)c2)CC1 ZINC001236938880 889432773 /nfs/dbraw/zinc/43/27/73/889432773.db2.gz OZJOXUPPYBISPW-GOSISDBHSA-N 2 1 321.440 1.924 20 10 DDCDMP COC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC001254165414 896281208 /nfs/dbraw/zinc/28/12/08/896281208.db2.gz BPIONUCFHRASAY-GOSISDBHSA-N 2 1 319.449 1.286 20 10 DDCDMP COC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC001254165414 896281223 /nfs/dbraw/zinc/28/12/23/896281223.db2.gz BPIONUCFHRASAY-GOSISDBHSA-N 2 1 319.449 1.286 20 10 DDCDMP CN(C)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282503690 409056802 /nfs/dbraw/zinc/05/68/02/409056802.db2.gz WVUBJEHWXCGXJU-UHFFFAOYSA-N 2 1 304.482 1.868 20 10 DDCDMP Cc1ccc(O)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000371419122 418790403 /nfs/dbraw/zinc/79/04/03/418790403.db2.gz JHBJQCQQTSOSMJ-QGZVFWFLSA-N 2 1 303.450 1.912 20 10 DDCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775695186 698023834 /nfs/dbraw/zinc/02/38/34/698023834.db2.gz HNEABQPBSHHCSK-GOSISDBHSA-N 3 1 316.493 1.822 20 10 DDCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000702627328 699231018 /nfs/dbraw/zinc/23/10/18/699231018.db2.gz YFBNRVBCXPYDHB-CYBMUJFWSA-N 2 1 315.211 1.311 20 10 DDCDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000793762667 699777450 /nfs/dbraw/zinc/77/74/50/699777450.db2.gz AVIGSVOJPCSIRY-WBVHZDCISA-N 2 1 304.390 1.346 20 10 DDCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000793762667 699777452 /nfs/dbraw/zinc/77/74/52/699777452.db2.gz AVIGSVOJPCSIRY-WBVHZDCISA-N 2 1 304.390 1.346 20 10 DDCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000793762667 699777454 /nfs/dbraw/zinc/77/74/54/699777454.db2.gz AVIGSVOJPCSIRY-WBVHZDCISA-N 2 1 304.390 1.346 20 10 DDCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000793762667 699777456 /nfs/dbraw/zinc/77/74/56/699777456.db2.gz AVIGSVOJPCSIRY-WBVHZDCISA-N 2 1 304.390 1.346 20 10 DDCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768462587 701180017 /nfs/dbraw/zinc/18/00/17/701180017.db2.gz NMBJCBDMLKYXNB-VMGRFDJRSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768462587 701180020 /nfs/dbraw/zinc/18/00/20/701180020.db2.gz NMBJCBDMLKYXNB-VMGRFDJRSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768462587 701180021 /nfs/dbraw/zinc/18/00/21/701180021.db2.gz NMBJCBDMLKYXNB-VMGRFDJRSA-N 2 1 318.417 1.734 20 10 DDCDMP COc1c(O)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841056371 702328096 /nfs/dbraw/zinc/32/80/96/702328096.db2.gz GCZAIMZSRBEQAX-HNNXBMFYSA-N 2 1 309.366 1.788 20 10 DDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000852753820 704114839 /nfs/dbraw/zinc/11/48/39/704114839.db2.gz SRKYLRJYHABNLB-QGZVFWFLSA-N 2 1 319.449 1.584 20 10 DDCDMP COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316936 711840542 /nfs/dbraw/zinc/84/05/42/711840542.db2.gz BGUNPKOITNQTMM-GSJFWJNXSA-N 2 1 312.797 1.758 20 10 DDCDMP COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316936 711840543 /nfs/dbraw/zinc/84/05/43/711840543.db2.gz BGUNPKOITNQTMM-GSJFWJNXSA-N 2 1 312.797 1.758 20 10 DDCDMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2O)C1=O ZINC001272619444 846416791 /nfs/dbraw/zinc/41/67/91/846416791.db2.gz VWXZKOLPOXLNCX-SFHVURJKSA-N 2 1 317.433 1.521 20 10 DDCDMP C[C@H](O)C[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001329984468 863994405 /nfs/dbraw/zinc/99/44/05/863994405.db2.gz RWZBMTDAOQXIBE-AWEZNQCLSA-N 2 1 321.440 1.923 20 10 DDCDMP C[C@H](O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001329984468 863994417 /nfs/dbraw/zinc/99/44/17/863994417.db2.gz RWZBMTDAOQXIBE-AWEZNQCLSA-N 2 1 321.440 1.923 20 10 DDCDMP C[C@H](O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001329984468 863994433 /nfs/dbraw/zinc/99/44/33/863994433.db2.gz RWZBMTDAOQXIBE-AWEZNQCLSA-N 2 1 321.440 1.923 20 10 DDCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](C)CO ZINC001324159491 867111548 /nfs/dbraw/zinc/11/15/48/867111548.db2.gz UGWBKVONMTVATG-CQSZACIVSA-N 2 1 309.429 1.780 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](C)CO ZINC001324159491 867111559 /nfs/dbraw/zinc/11/15/59/867111559.db2.gz UGWBKVONMTVATG-CQSZACIVSA-N 2 1 309.429 1.780 20 10 DDCDMP COc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC001335414477 868281549 /nfs/dbraw/zinc/28/15/49/868281549.db2.gz XFTLOQYXDWLZPI-WMLDXEAASA-N 2 1 319.449 1.319 20 10 DDCDMP COc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC001335414477 868281558 /nfs/dbraw/zinc/28/15/58/868281558.db2.gz XFTLOQYXDWLZPI-WMLDXEAASA-N 2 1 319.449 1.319 20 10 DDCDMP [NH3+]CCN(CCO)c1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001163836272 868746302 /nfs/dbraw/zinc/74/63/02/868746302.db2.gz QZEJAYNDBRTEQB-UHFFFAOYSA-N 2 1 311.429 1.960 20 10 DDCDMP C[NH2+]C1CCC([N@@H+](C)Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001236216275 889146154 /nfs/dbraw/zinc/14/61/54/889146154.db2.gz WQVOJHCBIUMQNY-UHFFFAOYSA-N 3 1 319.449 1.837 20 10 DDCDMP C[NH2+]C1CCC([N@H+](C)Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC1 ZINC001236216275 889146167 /nfs/dbraw/zinc/14/61/67/889146167.db2.gz WQVOJHCBIUMQNY-UHFFFAOYSA-N 2 1 319.449 1.837 20 10 DDCDMP C[NH2+]C1CCC([N@@H+](C)Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC1 ZINC001236216275 889146173 /nfs/dbraw/zinc/14/61/73/889146173.db2.gz WQVOJHCBIUMQNY-UHFFFAOYSA-N 2 1 319.449 1.837 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)CCOC4)c(F)c2)CC1 ZINC001236931225 889427359 /nfs/dbraw/zinc/42/73/59/889427359.db2.gz HOMCWPUUCWZBSQ-UHFFFAOYSA-N 2 1 319.424 1.800 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CCC[NH2+]C3)cc2F)CC1 ZINC001261370275 899519838 /nfs/dbraw/zinc/51/98/38/899519838.db2.gz DLJMLCOYXJSPKS-OAHLLOKOSA-N 2 1 306.429 1.419 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000368601237 418723505 /nfs/dbraw/zinc/72/35/05/418723505.db2.gz JSKXTRDGQOYCCF-NVXWUHKLSA-N 2 1 303.450 1.850 20 10 DDCDMP CC[N@@H+](CC(=O)NC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775653005 698020026 /nfs/dbraw/zinc/02/00/26/698020026.db2.gz ZELBUUFYIKCIGE-UHFFFAOYSA-N 2 1 304.438 1.006 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000841100798 702345356 /nfs/dbraw/zinc/34/53/56/702345356.db2.gz KFJAVOXYVCJGER-AEFFLSMTSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000841100798 702345362 /nfs/dbraw/zinc/34/53/62/702345362.db2.gz KFJAVOXYVCJGER-AEFFLSMTSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000841100798 702345368 /nfs/dbraw/zinc/34/53/68/702345368.db2.gz KFJAVOXYVCJGER-AEFFLSMTSA-N 2 1 316.493 1.855 20 10 DDCDMP Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccc1N(C)C ZINC000878865677 706519743 /nfs/dbraw/zinc/51/97/43/706519743.db2.gz MRKTVPSAOZNMIK-GOSISDBHSA-N 2 1 305.466 1.950 20 10 DDCDMP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccc1N(C)C ZINC000878865677 706519745 /nfs/dbraw/zinc/51/97/45/706519745.db2.gz MRKTVPSAOZNMIK-GOSISDBHSA-N 2 1 305.466 1.950 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000904406404 711853596 /nfs/dbraw/zinc/85/35/96/711853596.db2.gz SGOIKSKWADQAJP-KRWDZBQOSA-N 3 1 302.466 1.609 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000904406404 711853599 /nfs/dbraw/zinc/85/35/99/711853599.db2.gz SGOIKSKWADQAJP-KRWDZBQOSA-N 2 1 302.466 1.609 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000904406404 711853601 /nfs/dbraw/zinc/85/36/01/711853601.db2.gz SGOIKSKWADQAJP-KRWDZBQOSA-N 2 1 302.466 1.609 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253203 860336139 /nfs/dbraw/zinc/33/61/39/860336139.db2.gz PWBZSHZHJNOCCO-KGLIPLIRSA-N 2 1 312.385 1.367 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253203 860336149 /nfs/dbraw/zinc/33/61/49/860336149.db2.gz PWBZSHZHJNOCCO-KGLIPLIRSA-N 2 1 312.385 1.367 20 10 DDCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206623109 860705324 /nfs/dbraw/zinc/70/53/24/860705324.db2.gz JEYUKGHZXRXAEZ-KRWDZBQOSA-N 3 1 302.466 1.657 20 10 DDCDMP CN1CCOc2cc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)ccc21 ZINC001141142221 860794134 /nfs/dbraw/zinc/79/41/34/860794134.db2.gz KFDYVQNNBZGPRV-CVEARBPZSA-N 2 1 301.434 1.899 20 10 DDCDMP CN1CCOc2cc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)ccc21 ZINC001141142221 860794140 /nfs/dbraw/zinc/79/41/40/860794140.db2.gz KFDYVQNNBZGPRV-CVEARBPZSA-N 2 1 301.434 1.899 20 10 DDCDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141159535 860798250 /nfs/dbraw/zinc/79/82/50/860798250.db2.gz FPNJUHBRHKKGPJ-UHFFFAOYSA-N 2 1 305.378 1.728 20 10 DDCDMP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1CO ZINC001321703272 867746021 /nfs/dbraw/zinc/74/60/21/867746021.db2.gz WNDLSIHPXLWZQG-KSSFIOAISA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1CO ZINC001321703272 867746030 /nfs/dbraw/zinc/74/60/30/867746030.db2.gz WNDLSIHPXLWZQG-KSSFIOAISA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H](O)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322275843 868093004 /nfs/dbraw/zinc/09/30/04/868093004.db2.gz CYOWQNLBZYHXRN-CQSZACIVSA-N 2 1 309.429 1.828 20 10 DDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205016882 871326142 /nfs/dbraw/zinc/32/61/42/871326142.db2.gz LJOHGYSGGGPYID-HNNXBMFYSA-N 3 1 318.465 1.233 20 10 DDCDMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205249677 871460244 /nfs/dbraw/zinc/46/02/44/871460244.db2.gz YOWMYHDYINOWRA-CQSZACIVSA-N 2 1 302.777 1.860 20 10 DDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205249677 871460250 /nfs/dbraw/zinc/46/02/50/871460250.db2.gz YOWMYHDYINOWRA-CQSZACIVSA-N 2 1 302.777 1.860 20 10 DDCDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)c2c1 ZINC001205966724 871963523 /nfs/dbraw/zinc/96/35/23/871963523.db2.gz AOKRFQGVPWJCAC-NVXWUHKLSA-N 2 1 302.374 1.448 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCOC3)cc2F)CC1 ZINC001319502245 872662896 /nfs/dbraw/zinc/66/28/96/872662896.db2.gz ARWPASNCDBCXBE-QGZVFWFLSA-N 2 1 307.413 1.846 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001276516672 873124826 /nfs/dbraw/zinc/12/48/26/873124826.db2.gz MHJRKERYMXKVBJ-KBPBESRZSA-N 2 1 321.421 1.014 20 10 DDCDMP COc1cc(C)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222104804 880255248 /nfs/dbraw/zinc/25/52/48/880255248.db2.gz LKSCDFVUXXXMHJ-UHFFFAOYSA-N 2 1 305.422 1.237 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222147984 880285113 /nfs/dbraw/zinc/28/51/13/880285113.db2.gz HAVVOMPKEYMYFT-LJQANCHMSA-N 3 1 314.477 1.672 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222147984 880285123 /nfs/dbraw/zinc/28/51/23/880285123.db2.gz HAVVOMPKEYMYFT-LJQANCHMSA-N 2 1 314.477 1.672 20 10 DDCDMP CC[NH2+]C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001235726981 888918423 /nfs/dbraw/zinc/91/84/23/888918423.db2.gz UFDWIICJEZUCQP-UHFFFAOYSA-N 3 1 318.465 1.376 20 10 DDCDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C[C@H]12 ZINC001236818500 889371363 /nfs/dbraw/zinc/37/13/63/889371363.db2.gz IXXBOXIONMSPEY-RYQLBKOJSA-N 3 1 300.450 1.265 20 10 DDCDMP C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940303 889435548 /nfs/dbraw/zinc/43/55/48/889435548.db2.gz ZLFMXYGILXHQDM-PBHICJAKSA-N 2 1 321.440 1.923 20 10 DDCDMP CN1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001262492797 900195371 /nfs/dbraw/zinc/19/53/71/900195371.db2.gz PGBBHDNPPFSVFR-HNNXBMFYSA-N 2 1 306.429 1.371 20 10 DDCDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OC)c3O)C2)CC1 ZINC000093133163 193205304 /nfs/dbraw/zinc/20/53/04/193205304.db2.gz SPFPUQRIAWKBIS-INIZCTEOSA-N 2 1 319.449 1.613 20 10 DDCDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccccc3O)C2)CC1 ZINC000377691037 418713334 /nfs/dbraw/zinc/71/33/34/418713334.db2.gz HDYMAONVQNTRIR-QGZVFWFLSA-N 2 1 303.450 1.994 20 10 DDCDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000377691037 418713335 /nfs/dbraw/zinc/71/33/35/418713335.db2.gz HDYMAONVQNTRIR-QGZVFWFLSA-N 2 1 303.450 1.994 20 10 DDCDMP CN(C)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775675051 698021708 /nfs/dbraw/zinc/02/17/08/698021708.db2.gz QOLFNOXNHHTOEC-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775675051 698021709 /nfs/dbraw/zinc/02/17/09/698021709.db2.gz QOLFNOXNHHTOEC-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775742628 698028225 /nfs/dbraw/zinc/02/82/25/698028225.db2.gz VTYQHIXOAIOFSL-MAUKXSAKSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775742628 698028230 /nfs/dbraw/zinc/02/82/30/698028230.db2.gz VTYQHIXOAIOFSL-MAUKXSAKSA-N 2 1 319.449 1.020 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)[C@@H](O)CO2 ZINC000768445636 701177646 /nfs/dbraw/zinc/17/76/46/701177646.db2.gz HWNPARMXXCDYSW-DYVFJYSZSA-N 2 1 318.417 1.736 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)[C@@H](O)CO2 ZINC000768445636 701177647 /nfs/dbraw/zinc/17/76/47/701177647.db2.gz HWNPARMXXCDYSW-DYVFJYSZSA-N 2 1 318.417 1.736 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844222393 702996116 /nfs/dbraw/zinc/99/61/16/702996116.db2.gz DFNSCMLBPPJYRG-GOEBONIOSA-N 2 1 318.465 1.380 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844222393 702996119 /nfs/dbraw/zinc/99/61/19/702996119.db2.gz DFNSCMLBPPJYRG-GOEBONIOSA-N 2 1 318.465 1.380 20 10 DDCDMP COc1ccc(O)c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000827885373 706081814 /nfs/dbraw/zinc/08/18/14/706081814.db2.gz ZCMWWWHZXKOEMU-UHFFFAOYSA-N 2 1 302.378 1.457 20 10 DDCDMP C[C@H]1[NH2+]CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001326991138 861778220 /nfs/dbraw/zinc/77/82/20/861778220.db2.gz OQBYLOGBQDIRTQ-CABCVRRESA-N 2 1 320.456 1.760 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@@H](O)CC2)cc(C[NH+](C)C)c1O ZINC001139253024 860336984 /nfs/dbraw/zinc/33/69/84/860336984.db2.gz IZFQYMCDKSLOIH-OAHLLOKOSA-N 2 1 308.422 1.809 20 10 DDCDMP COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139256176 860338954 /nfs/dbraw/zinc/33/89/54/860338954.db2.gz VXAMVXLLHLOJSY-WFASDCNBSA-N 2 1 308.422 1.665 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]43)cc2)CC1 ZINC001139407974 860390006 /nfs/dbraw/zinc/39/00/06/860390006.db2.gz HYUMMNZSHHGUOC-QZTJIDSGSA-N 2 1 301.434 1.802 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CN(C)C1 ZINC001139410928 860391078 /nfs/dbraw/zinc/39/10/78/860391078.db2.gz MGYROFGKJDJRGD-UHFFFAOYSA-N 2 1 302.466 1.574 20 10 DDCDMP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001140954239 860746075 /nfs/dbraw/zinc/74/60/75/860746075.db2.gz NSOVNHDRMIPNOP-OAHLLOKOSA-N 2 1 305.422 1.343 20 10 DDCDMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001140954239 860746078 /nfs/dbraw/zinc/74/60/78/860746078.db2.gz NSOVNHDRMIPNOP-OAHLLOKOSA-N 2 1 305.422 1.343 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1O ZINC001321504960 867635657 /nfs/dbraw/zinc/63/56/57/867635657.db2.gz OLJJORFPAMNIEK-KSSFIOAISA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1O ZINC001321504960 867635668 /nfs/dbraw/zinc/63/56/68/867635668.db2.gz OLJJORFPAMNIEK-KSSFIOAISA-N 2 1 321.440 1.780 20 10 DDCDMP CN(C)c1ccc([C@@H](CNc2cc[nH+]c(N)n2)[NH+](C)C)cc1 ZINC001336735353 869115435 /nfs/dbraw/zinc/11/54/35/869115435.db2.gz LYASSBIKPUFHDF-CQSZACIVSA-N 2 1 300.410 1.840 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1OC ZINC001205725790 871754012 /nfs/dbraw/zinc/75/40/12/871754012.db2.gz LIACSXUBDVPCHO-MRXNPFEDSA-N 2 1 310.394 1.085 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001206185660 872119130 /nfs/dbraw/zinc/11/91/30/872119130.db2.gz OQTMRPCGMLNSSW-CVEARBPZSA-N 2 1 322.428 1.063 20 10 DDCDMP N[C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001206185660 872119134 /nfs/dbraw/zinc/11/91/34/872119134.db2.gz OQTMRPCGMLNSSW-CVEARBPZSA-N 2 1 322.428 1.063 20 10 DDCDMP N[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001206185660 872119141 /nfs/dbraw/zinc/11/91/41/872119141.db2.gz OQTMRPCGMLNSSW-CVEARBPZSA-N 2 1 322.428 1.063 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)C3CC3)cc2F)CC1 ZINC001318524011 872130640 /nfs/dbraw/zinc/13/06/40/872130640.db2.gz INGGCROKHFNPJS-MRXNPFEDSA-N 2 1 307.413 1.438 20 10 DDCDMP C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001345957204 873570582 /nfs/dbraw/zinc/57/05/82/873570582.db2.gz UMYKDPXUHKRTHB-LSDHHAIUSA-N 2 1 320.456 1.760 20 10 DDCDMP c1cc(N2CCCCC2)ccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234983870 888296481 /nfs/dbraw/zinc/29/64/81/888296481.db2.gz ZDERSMVSFLCJQN-IBGZPJMESA-N 2 1 314.477 1.814 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC001236094966 889102947 /nfs/dbraw/zinc/10/29/47/889102947.db2.gz JISVXAGMUMEMRC-CALCHBBNSA-N 2 1 300.450 1.423 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC001236094966 889102957 /nfs/dbraw/zinc/10/29/57/889102957.db2.gz JISVXAGMUMEMRC-CALCHBBNSA-N 2 1 300.450 1.423 20 10 DDCDMP C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940311 889435522 /nfs/dbraw/zinc/43/55/22/889435522.db2.gz ZLFMXYGILXHQDM-WMLDXEAASA-N 2 1 321.440 1.923 20 10 DDCDMP COc1ccc(O)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000290218358 409323906 /nfs/dbraw/zinc/32/39/06/409323906.db2.gz RKKSTGJRVDITNM-UHFFFAOYSA-N 2 1 309.454 1.716 20 10 DDCDMP CCOCc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1OC ZINC000762557478 700898024 /nfs/dbraw/zinc/89/80/24/700898024.db2.gz ZUHURMSXDFCWFA-QGZVFWFLSA-N 2 1 308.422 1.388 20 10 DDCDMP CCOCc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1OC ZINC000762557478 700898026 /nfs/dbraw/zinc/89/80/26/700898026.db2.gz ZUHURMSXDFCWFA-QGZVFWFLSA-N 2 1 308.422 1.388 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)[C@H](O)CO2 ZINC000768445635 701177416 /nfs/dbraw/zinc/17/74/16/701177416.db2.gz HWNPARMXXCDYSW-CXAGYDPISA-N 2 1 318.417 1.736 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)[C@H](O)CO2 ZINC000768445635 701177419 /nfs/dbraw/zinc/17/74/19/701177419.db2.gz HWNPARMXXCDYSW-CXAGYDPISA-N 2 1 318.417 1.736 20 10 DDCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768462583 701179794 /nfs/dbraw/zinc/17/97/94/701179794.db2.gz NMBJCBDMLKYXNB-MJEQTWJJSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768462583 701179796 /nfs/dbraw/zinc/17/97/96/701179796.db2.gz NMBJCBDMLKYXNB-MJEQTWJJSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768462583 701179798 /nfs/dbraw/zinc/17/97/98/701179798.db2.gz NMBJCBDMLKYXNB-MJEQTWJJSA-N 2 1 318.417 1.734 20 10 DDCDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466190 701180361 /nfs/dbraw/zinc/18/03/61/701180361.db2.gz NSRHXQXRHZIUJD-CXAGYDPISA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466190 701180363 /nfs/dbraw/zinc/18/03/63/701180363.db2.gz NSRHXQXRHZIUJD-CXAGYDPISA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466190 701180365 /nfs/dbraw/zinc/18/03/65/701180365.db2.gz NSRHXQXRHZIUJD-CXAGYDPISA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466190 701180366 /nfs/dbraw/zinc/18/03/66/701180366.db2.gz NSRHXQXRHZIUJD-CXAGYDPISA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466190 701180368 /nfs/dbraw/zinc/18/03/68/701180368.db2.gz NSRHXQXRHZIUJD-CXAGYDPISA-N 2 1 320.433 1.982 20 10 DDCDMP CN1CCN(c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)CC1 ZINC000843047646 702807743 /nfs/dbraw/zinc/80/77/43/702807743.db2.gz SVZIBCLSCAWVAW-UHFFFAOYSA-N 2 1 302.466 1.609 20 10 DDCDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843052459 702808919 /nfs/dbraw/zinc/80/89/19/702808919.db2.gz LLIDJTDOLJGLEZ-HNNXBMFYSA-N 2 1 307.413 1.704 20 10 DDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843052459 702808922 /nfs/dbraw/zinc/80/89/22/702808922.db2.gz LLIDJTDOLJGLEZ-HNNXBMFYSA-N 2 1 307.413 1.704 20 10 DDCDMP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000818953254 704033315 /nfs/dbraw/zinc/03/33/15/704033315.db2.gz DNMVOPKILQNZRS-GOSISDBHSA-N 2 1 303.450 1.832 20 10 DDCDMP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000818953254 704033317 /nfs/dbraw/zinc/03/33/17/704033317.db2.gz DNMVOPKILQNZRS-GOSISDBHSA-N 2 1 303.450 1.832 20 10 DDCDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853625790 704288946 /nfs/dbraw/zinc/28/89/46/704288946.db2.gz YTECUIMDLTYQRU-CQSZACIVSA-N 2 1 322.405 1.664 20 10 DDCDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853625790 704288947 /nfs/dbraw/zinc/28/89/47/704288947.db2.gz YTECUIMDLTYQRU-CQSZACIVSA-N 2 1 322.405 1.664 20 10 DDCDMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507192 705739163 /nfs/dbraw/zinc/73/91/63/705739163.db2.gz XPHDIBYINKEYTM-HNNXBMFYSA-N 2 1 301.394 1.074 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872255700 707350546 /nfs/dbraw/zinc/35/05/46/707350546.db2.gz KZSFYWUEYVWPEK-FMKPAKJESA-N 2 1 317.389 1.068 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(F)c1O)C2 ZINC000903978653 711355858 /nfs/dbraw/zinc/35/58/58/711355858.db2.gz JGYKMXGRCPKXRS-OZVIIMIRSA-N 2 1 308.353 1.244 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc(F)c1O)C2 ZINC000903978653 711355862 /nfs/dbraw/zinc/35/58/62/711355862.db2.gz JGYKMXGRCPKXRS-OZVIIMIRSA-N 2 1 308.353 1.244 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC000904410299 711854370 /nfs/dbraw/zinc/85/43/70/711854370.db2.gz DPZHOZRSUDHKTO-FUHWJXTLSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC000904410299 711854371 /nfs/dbraw/zinc/85/43/71/711854371.db2.gz DPZHOZRSUDHKTO-FUHWJXTLSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC000904410299 711854372 /nfs/dbraw/zinc/85/43/72/711854372.db2.gz DPZHOZRSUDHKTO-FUHWJXTLSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118179223 781055178 /nfs/dbraw/zinc/05/51/78/781055178.db2.gz NTVRGIIANNEBMY-AWEZNQCLSA-N 2 1 306.429 1.371 20 10 DDCDMP C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328400245 862951909 /nfs/dbraw/zinc/95/19/09/862951909.db2.gz FNQUKOBXPSXPMD-GASCZTMLSA-N 2 1 320.456 1.760 20 10 DDCDMP CC[N@@H+](CCC(N)=O)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139256479 860339373 /nfs/dbraw/zinc/33/93/73/860339373.db2.gz DBTPSMXQCZAANQ-UHFFFAOYSA-N 2 1 309.410 1.160 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOC3)cc2F)CC1 ZINC001323384818 866578503 /nfs/dbraw/zinc/57/85/03/866578503.db2.gz HVGOIEBZDOAZKW-OAHLLOKOSA-N 2 1 307.413 1.846 20 10 DDCDMP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205844830 871858696 /nfs/dbraw/zinc/85/86/96/871858696.db2.gz YMORCAPIGVAPLJ-PBHICJAKSA-N 3 1 318.465 1.361 20 10 DDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1F ZINC001206173340 872110735 /nfs/dbraw/zinc/11/07/35/872110735.db2.gz HCJCKFAWTCTALH-ZWKOTPCHSA-N 2 1 321.440 1.909 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1F ZINC001206173340 872110742 /nfs/dbraw/zinc/11/07/42/872110742.db2.gz HCJCKFAWTCTALH-ZWKOTPCHSA-N 2 1 321.440 1.909 20 10 DDCDMP Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1O ZINC001277520145 885673037 /nfs/dbraw/zinc/67/30/37/885673037.db2.gz ZXDTZOCFENDMEU-WMLDXEAASA-N 2 1 321.440 1.907 20 10 DDCDMP CC(C)[C@@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235456667 888658008 /nfs/dbraw/zinc/65/80/08/888658008.db2.gz PDDXGOBDIBVILO-SFHVURJKSA-N 2 1 302.466 1.526 20 10 DDCDMP CC(C)[C@@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235456667 888658014 /nfs/dbraw/zinc/65/80/14/888658014.db2.gz PDDXGOBDIBVILO-SFHVURJKSA-N 2 1 302.466 1.526 20 10 DDCDMP CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236133380 889111113 /nfs/dbraw/zinc/11/11/13/889111113.db2.gz VIWLFCGCWLPWIS-QGZVFWFLSA-N 2 1 318.465 1.376 20 10 DDCDMP CCC[C@@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236133380 889111123 /nfs/dbraw/zinc/11/11/23/889111123.db2.gz VIWLFCGCWLPWIS-QGZVFWFLSA-N 2 1 318.465 1.376 20 10 DDCDMP CCC[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001236177527 889127197 /nfs/dbraw/zinc/12/71/97/889127197.db2.gz COZLMODNHXXJJU-INIZCTEOSA-N 2 1 318.465 1.376 20 10 DDCDMP CCC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001236177527 889127206 /nfs/dbraw/zinc/12/72/06/889127206.db2.gz COZLMODNHXXJJU-INIZCTEOSA-N 2 1 318.465 1.376 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](O)CC3)c(F)c2)CC1 ZINC001236932453 889429862 /nfs/dbraw/zinc/42/98/62/889429862.db2.gz OTURUEXBRXSETD-KRWDZBQOSA-N 2 1 321.440 1.924 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H]1O ZINC001236933416 889430196 /nfs/dbraw/zinc/43/01/96/889430196.db2.gz WSCMTYAWXXLOTR-RDTXWAMCSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(COC4)C3)c(F)c2)CC1 ZINC001236936925 889433031 /nfs/dbraw/zinc/43/30/31/889433031.db2.gz UXDOQBRDCUKRIN-UHFFFAOYSA-N 2 1 319.424 1.800 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001249214339 893869990 /nfs/dbraw/zinc/86/99/90/893869990.db2.gz KCZATNPYWJHMCV-SFHVURJKSA-N 2 1 318.417 1.635 20 10 DDCDMP COC(=O)Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001249214339 893870007 /nfs/dbraw/zinc/87/00/07/893870007.db2.gz KCZATNPYWJHMCV-SFHVURJKSA-N 2 1 318.417 1.635 20 10 DDCDMP COC(=O)Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001249214339 893870019 /nfs/dbraw/zinc/87/00/19/893870019.db2.gz KCZATNPYWJHMCV-SFHVURJKSA-N 2 1 318.417 1.635 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1CO ZINC000785984612 699115392 /nfs/dbraw/zinc/11/53/92/699115392.db2.gz OPWTUBLIMGMCFV-YJBOKZPZSA-N 2 1 303.450 1.641 20 10 DDCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@@H]21 ZINC000768463647 701180028 /nfs/dbraw/zinc/18/00/28/701180028.db2.gz VLDKFMNDIAHZRZ-ISTRZQFTSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@@H]21 ZINC000768463647 701180030 /nfs/dbraw/zinc/18/00/30/701180030.db2.gz VLDKFMNDIAHZRZ-ISTRZQFTSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@@H]21 ZINC000768463647 701180032 /nfs/dbraw/zinc/18/00/32/701180032.db2.gz VLDKFMNDIAHZRZ-ISTRZQFTSA-N 2 1 318.417 1.734 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000817941841 702531072 /nfs/dbraw/zinc/53/10/72/702531072.db2.gz LCJLEPMBNONYNW-CGTJXYLNSA-N 2 1 302.466 1.969 20 10 DDCDMP COc1cc(Br)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000843048638 702807673 /nfs/dbraw/zinc/80/76/73/702807673.db2.gz MNCASKRMBVNIMV-SECBINFHSA-N 2 1 315.211 1.944 20 10 DDCDMP COc1cc(Br)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000843048638 702807676 /nfs/dbraw/zinc/80/76/76/702807676.db2.gz MNCASKRMBVNIMV-SECBINFHSA-N 2 1 315.211 1.944 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052894 702809327 /nfs/dbraw/zinc/80/93/27/702809327.db2.gz XTAIXZVOZZESSC-QWRGUYRKSA-N 2 1 309.366 1.868 20 10 DDCDMP COc1c(O)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052894 702809330 /nfs/dbraw/zinc/80/93/30/702809330.db2.gz XTAIXZVOZZESSC-QWRGUYRKSA-N 2 1 309.366 1.868 20 10 DDCDMP COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000843058988 702809942 /nfs/dbraw/zinc/80/99/42/702809942.db2.gz BPIRUQAYCCZNEL-DRZSPHRISA-N 2 1 321.377 1.868 20 10 DDCDMP COc1c(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000843058988 702809945 /nfs/dbraw/zinc/80/99/45/702809945.db2.gz BPIRUQAYCCZNEL-DRZSPHRISA-N 2 1 321.377 1.868 20 10 DDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000843124177 702824663 /nfs/dbraw/zinc/82/46/63/702824663.db2.gz ZDELCTDQTAVBQY-HNNXBMFYSA-N 2 1 305.422 1.270 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000843128889 702825372 /nfs/dbraw/zinc/82/53/72/702825372.db2.gz YNBRFEGXYMGXEV-MJGOQNOKSA-N 3 1 314.477 1.622 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000843128889 702825373 /nfs/dbraw/zinc/82/53/73/702825373.db2.gz YNBRFEGXYMGXEV-MJGOQNOKSA-N 2 1 314.477 1.622 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000843127245 702825394 /nfs/dbraw/zinc/82/53/94/702825394.db2.gz PBNBTZBPMDAIIC-BETUJISGSA-N 2 1 306.406 1.841 20 10 DDCDMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220772 702995446 /nfs/dbraw/zinc/99/54/46/702995446.db2.gz AVLDCLDBJRWVMS-GOEBONIOSA-N 2 1 318.465 1.380 20 10 DDCDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220772 702995448 /nfs/dbraw/zinc/99/54/48/702995448.db2.gz AVLDCLDBJRWVMS-GOEBONIOSA-N 2 1 318.465 1.380 20 10 DDCDMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506759 705738689 /nfs/dbraw/zinc/73/86/89/705738689.db2.gz OFDLXYGXBGZBOR-HNNXBMFYSA-N 2 1 301.394 1.074 20 10 DDCDMP Cc1cccc(O)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000876790230 705877903 /nfs/dbraw/zinc/87/79/03/705877903.db2.gz WTXMCDQYABPSAX-MRXNPFEDSA-N 2 1 317.433 1.439 20 10 DDCDMP Cc1cccc(O)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000876790230 705877905 /nfs/dbraw/zinc/87/79/05/705877905.db2.gz WTXMCDQYABPSAX-MRXNPFEDSA-N 2 1 317.433 1.439 20 10 DDCDMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000903838306 711297574 /nfs/dbraw/zinc/29/75/74/711297574.db2.gz BQAMLIBCILKJOS-JZXOWHBKSA-N 2 1 301.434 1.835 20 10 DDCDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000904404951 711853660 /nfs/dbraw/zinc/85/36/60/711853660.db2.gz BXKNBGYWNTWFAJ-AWEZNQCLSA-N 2 1 307.413 1.833 20 10 DDCDMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1OC ZINC001333822951 867047991 /nfs/dbraw/zinc/04/79/91/867047991.db2.gz OMTDJIAUNREPIX-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1OC ZINC001333822951 867048001 /nfs/dbraw/zinc/04/80/01/867048001.db2.gz OMTDJIAUNREPIX-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c1OC ZINC001333822951 867048011 /nfs/dbraw/zinc/04/80/11/867048011.db2.gz OMTDJIAUNREPIX-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1OC ZINC001333822951 867048014 /nfs/dbraw/zinc/04/80/14/867048014.db2.gz OMTDJIAUNREPIX-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](O)(C4CC4)C3)cc2)CC1 ZINC001320917438 867118972 /nfs/dbraw/zinc/11/89/72/867118972.db2.gz XDHABQPTTVYOCE-LJQANCHMSA-N 2 1 315.461 1.785 20 10 DDCDMP CC[C@@H](CO)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324377832 867242026 /nfs/dbraw/zinc/24/20/26/867242026.db2.gz IJWCNCWTDBRASM-HNNXBMFYSA-N 2 1 309.429 1.780 20 10 DDCDMP CC[C@@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324377832 867242041 /nfs/dbraw/zinc/24/20/41/867242041.db2.gz IJWCNCWTDBRASM-HNNXBMFYSA-N 2 1 309.429 1.780 20 10 DDCDMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325165317 867834461 /nfs/dbraw/zinc/83/44/61/867834461.db2.gz GCKXYHPMSWLNCZ-CYBMUJFWSA-N 2 1 322.428 1.192 20 10 DDCDMP C[C@H](O)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322275842 868094467 /nfs/dbraw/zinc/09/44/67/868094467.db2.gz CYOWQNLBZYHXRN-AWEZNQCLSA-N 2 1 309.429 1.828 20 10 DDCDMP CC[N@H+](CCCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337042913 869286404 /nfs/dbraw/zinc/28/64/04/869286404.db2.gz VYHDLHQZALSUNA-UHFFFAOYSA-N 2 1 309.429 1.782 20 10 DDCDMP CC[N@@H+](CCCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337042913 869286414 /nfs/dbraw/zinc/28/64/14/869286414.db2.gz VYHDLHQZALSUNA-UHFFFAOYSA-N 2 1 309.429 1.782 20 10 DDCDMP C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337282654 869415745 /nfs/dbraw/zinc/41/57/45/869415745.db2.gz TUUCNNIOGMRURZ-CYBMUJFWSA-N 2 1 309.429 1.827 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC001353899866 877637763 /nfs/dbraw/zinc/63/77/63/877637763.db2.gz QMBVVVMEZIIPFU-HOTGVXAUSA-N 3 1 320.456 1.937 20 10 DDCDMP CC(C)(C)c1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234991826 888317368 /nfs/dbraw/zinc/31/73/68/888317368.db2.gz YFXGDGGHJDIUEZ-GOSISDBHSA-N 2 1 303.450 1.827 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939583 889025886 /nfs/dbraw/zinc/02/58/86/889025886.db2.gz PXBIUMRZGZOQMO-SJORKVTESA-N 3 1 300.450 1.138 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)C3)c(F)c2)CC1 ZINC001236932508 889430360 /nfs/dbraw/zinc/43/03/60/889430360.db2.gz QETCYOMFYFMPRJ-MRXNPFEDSA-N 2 1 307.413 1.534 20 10 DDCDMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1O ZINC000783510462 698845671 /nfs/dbraw/zinc/84/56/71/698845671.db2.gz OJSUUGSSMKRSJM-AWEZNQCLSA-N 2 1 319.449 1.986 20 10 DDCDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000809697708 701681524 /nfs/dbraw/zinc/68/15/24/701681524.db2.gz MWZFUBNPAGSVAC-QGZVFWFLSA-N 2 1 316.493 1.964 20 10 DDCDMP CCN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000809697708 701681527 /nfs/dbraw/zinc/68/15/27/701681527.db2.gz MWZFUBNPAGSVAC-QGZVFWFLSA-N 2 1 316.493 1.964 20 10 DDCDMP CCN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000809697708 701681530 /nfs/dbraw/zinc/68/15/30/701681530.db2.gz MWZFUBNPAGSVAC-QGZVFWFLSA-N 2 1 316.493 1.964 20 10 DDCDMP CN(CC[N@@H+](C)C1CC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809756443 701686552 /nfs/dbraw/zinc/68/65/52/701686552.db2.gz VFFXZAWHZZXYQB-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP CN(CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000809756443 701686554 /nfs/dbraw/zinc/68/65/54/701686554.db2.gz VFFXZAWHZZXYQB-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP CN(CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000809756443 701686556 /nfs/dbraw/zinc/68/65/56/701686556.db2.gz VFFXZAWHZZXYQB-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463995 701179594 /nfs/dbraw/zinc/17/95/94/701179594.db2.gz YSKMZRAUUIREGH-INIZCTEOSA-N 2 1 317.389 1.845 20 10 DDCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463995 701179595 /nfs/dbraw/zinc/17/95/95/701179595.db2.gz YSKMZRAUUIREGH-INIZCTEOSA-N 2 1 317.389 1.845 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841035731 702317386 /nfs/dbraw/zinc/31/73/86/702317386.db2.gz HSXGUQVDVIWDGW-QGZVFWFLSA-N 2 1 302.466 1.528 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100108 702345489 /nfs/dbraw/zinc/34/54/89/702345489.db2.gz UVODBEPOLUEUPC-PWSUYJOCSA-N 2 1 309.366 1.726 20 10 DDCDMP COc1c(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100108 702345497 /nfs/dbraw/zinc/34/54/97/702345497.db2.gz UVODBEPOLUEUPC-PWSUYJOCSA-N 2 1 309.366 1.726 20 10 DDCDMP CC(=O)c1cc(F)cc(C[N@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000843348951 702864246 /nfs/dbraw/zinc/86/42/46/702864246.db2.gz ACYUKIFLICGOBX-UHFFFAOYSA-N 2 1 309.385 1.071 20 10 DDCDMP CC(=O)c1cc(F)cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000843348951 702864249 /nfs/dbraw/zinc/86/42/49/702864249.db2.gz ACYUKIFLICGOBX-UHFFFAOYSA-N 2 1 309.385 1.071 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000876506254 705738045 /nfs/dbraw/zinc/73/80/45/705738045.db2.gz HRYAMVFOBPQGDA-CZUORRHYSA-N 2 1 304.438 1.210 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515058 714386182 /nfs/dbraw/zinc/38/61/82/714386182.db2.gz BNFDVHZRFWLMNZ-DLBZAZTESA-N 2 1 301.434 1.565 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1C ZINC001133863994 770378412 /nfs/dbraw/zinc/37/84/12/770378412.db2.gz SRYBJTNCSRZFSA-GDBMZVCRSA-N 2 1 319.449 1.407 20 10 DDCDMP CC[N@H+](CCN(C)C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253598 860336483 /nfs/dbraw/zinc/33/64/83/860336483.db2.gz ZVUGBHIAXGLFHI-UHFFFAOYSA-N 2 1 309.454 1.846 20 10 DDCDMP CC[N@@H+](CCN(C)C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253598 860336493 /nfs/dbraw/zinc/33/64/93/860336493.db2.gz ZVUGBHIAXGLFHI-UHFFFAOYSA-N 2 1 309.454 1.846 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139252862 860337341 /nfs/dbraw/zinc/33/73/41/860337341.db2.gz CBPIYZMFFJOEII-ZDUSSCGKSA-N 2 1 308.422 1.667 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H](O)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139258315 860338290 /nfs/dbraw/zinc/33/82/90/860338290.db2.gz PJSBYHMLJNZOEN-DOMZBBRYSA-N 2 1 308.422 1.808 20 10 DDCDMP CCOC(=O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412356 860392199 /nfs/dbraw/zinc/39/21/99/860392199.db2.gz IKBAAGBHEZCVIH-UHFFFAOYSA-N 2 1 319.449 1.823 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN3CC[N@H+]4CC[C@H]4C3)cc2)CC1 ZINC001140309353 860616474 /nfs/dbraw/zinc/61/64/74/860616474.db2.gz CCGWXFWERZCVAP-IBGZPJMESA-N 2 1 314.477 1.718 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCN4CC[C@H]4C3)cc2)CC1 ZINC001140309353 860616477 /nfs/dbraw/zinc/61/64/77/860616477.db2.gz CCGWXFWERZCVAP-IBGZPJMESA-N 2 1 314.477 1.718 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCN4CC[C@H]4C3)cc2)CC1 ZINC001140309353 860616482 /nfs/dbraw/zinc/61/64/82/860616482.db2.gz CCGWXFWERZCVAP-IBGZPJMESA-N 2 1 314.477 1.718 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)cc2F)CC1 ZINC001319972376 866410307 /nfs/dbraw/zinc/41/03/07/866410307.db2.gz HABZGBLSOGJWIZ-HZPDHXFCSA-N 2 1 318.440 1.229 20 10 DDCDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c(O)c1OC ZINC001308984389 871544059 /nfs/dbraw/zinc/54/40/59/871544059.db2.gz IGOGPNQRTOUGBN-HZSPNIEDSA-N 2 1 306.406 1.839 20 10 DDCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)ccc2O1 ZINC001206540939 872429193 /nfs/dbraw/zinc/42/91/93/872429193.db2.gz DRWYSHSNYXKGRP-JSGCOSHPSA-N 2 1 304.390 1.328 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3C[NH2+]CC[C@H]31)C[NH2+]CCO2 ZINC001222620457 880606107 /nfs/dbraw/zinc/60/61/07/880606107.db2.gz SZCJFDLCJJQQMG-SWLSCSKDSA-N 3 1 303.406 1.058 20 10 DDCDMP Oc1cc2c(cc1CN1CC[C@H]3C[NH2+]CC[C@H]31)C[NH2+]CCO2 ZINC001222620457 880606114 /nfs/dbraw/zinc/60/61/14/880606114.db2.gz SZCJFDLCJJQQMG-SWLSCSKDSA-N 2 1 303.406 1.058 20 10 DDCDMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001235960681 889029933 /nfs/dbraw/zinc/02/99/33/889029933.db2.gz WNSDRFGCLQWBLR-DPIQGUFMSA-N 3 1 303.406 1.043 20 10 DDCDMP [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001235960681 889029939 /nfs/dbraw/zinc/02/99/39/889029939.db2.gz WNSDRFGCLQWBLR-DPIQGUFMSA-N 2 1 303.406 1.043 20 10 DDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000273464240 408211431 /nfs/dbraw/zinc/21/14/31/408211431.db2.gz DJCVSJGHGIZQGU-LBPRGKRZSA-N 2 1 322.405 1.286 20 10 DDCDMP Oc1ccc(F)cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000179887835 526349580 /nfs/dbraw/zinc/34/95/80/526349580.db2.gz PZPAMZHXPPKONJ-UHFFFAOYSA-N 2 1 307.413 1.745 20 10 DDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOCC[NH+](C)C)c1 ZINC000774377722 697873333 /nfs/dbraw/zinc/87/33/33/697873333.db2.gz VBQYVROSRCYTEY-LBPRGKRZSA-N 2 1 310.394 1.408 20 10 DDCDMP Cn1cc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000775644348 698018548 /nfs/dbraw/zinc/01/85/48/698018548.db2.gz IMWIYSJPUQEERB-UHFFFAOYSA-N 2 1 313.449 1.804 20 10 DDCDMP CCCC[N@@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775655589 698020032 /nfs/dbraw/zinc/02/00/32/698020032.db2.gz HDPZCAFVJQNBIA-UHFFFAOYSA-N 2 1 318.465 1.526 20 10 DDCDMP CN(C)c1ccc(/C=C/C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000843044032 702807408 /nfs/dbraw/zinc/80/74/08/702807408.db2.gz AGELIXUOVJNTOM-SNAWJCMRSA-N 2 1 316.449 1.129 20 10 DDCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000843044032 702807409 /nfs/dbraw/zinc/80/74/09/702807409.db2.gz AGELIXUOVJNTOM-SNAWJCMRSA-N 2 1 316.449 1.129 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843051480 702808791 /nfs/dbraw/zinc/80/87/91/702808791.db2.gz JHHBIXLPHYYYQY-AEFFLSMTSA-N 3 1 316.493 1.998 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843051480 702808792 /nfs/dbraw/zinc/80/87/92/702808792.db2.gz JHHBIXLPHYYYQY-AEFFLSMTSA-N 2 1 316.493 1.998 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843051480 702808793 /nfs/dbraw/zinc/80/87/93/702808793.db2.gz JHHBIXLPHYYYQY-AEFFLSMTSA-N 2 1 316.493 1.998 20 10 DDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843052945 702809100 /nfs/dbraw/zinc/80/91/00/702809100.db2.gz PTWKUXCQZQRQLO-KRWDZBQOSA-N 3 1 302.466 1.480 20 10 DDCDMP C[NH2+]C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843052945 702809101 /nfs/dbraw/zinc/80/91/01/702809101.db2.gz PTWKUXCQZQRQLO-KRWDZBQOSA-N 2 1 302.466 1.480 20 10 DDCDMP CCc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000848894011 703599337 /nfs/dbraw/zinc/59/93/37/703599337.db2.gz BKTAYNCRHMGGJL-INIZCTEOSA-N 2 1 319.449 1.632 20 10 DDCDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000876507127 705738606 /nfs/dbraw/zinc/73/86/06/705738606.db2.gz WBYKFQAQLHHNSF-YESZJQIVSA-N 2 1 318.465 1.599 20 10 DDCDMP C[N@@H+](CCOCC[NH3+])Cc1cccc(Br)c1[O-] ZINC000863650316 705976746 /nfs/dbraw/zinc/97/67/46/705976746.db2.gz QEFYJCXWBODKKY-UHFFFAOYSA-N 2 1 303.200 1.562 20 10 DDCDMP C[N@H+](CCOCC[NH3+])Cc1cccc(Br)c1O ZINC000863650316 705976747 /nfs/dbraw/zinc/97/67/47/705976747.db2.gz QEFYJCXWBODKKY-UHFFFAOYSA-N 2 1 303.200 1.562 20 10 DDCDMP C[N@@H+](CCOCC[NH3+])Cc1cccc(Br)c1O ZINC000863650316 705976748 /nfs/dbraw/zinc/97/67/48/705976748.db2.gz QEFYJCXWBODKKY-UHFFFAOYSA-N 2 1 303.200 1.562 20 10 DDCDMP CN1CCN(c2ccc(CNc3cc(CO)ccn3)cc2)CC1 ZINC000882879535 707834186 /nfs/dbraw/zinc/83/41/86/707834186.db2.gz AYZRFRVOUNYWII-UHFFFAOYSA-N 2 1 312.417 1.938 20 10 DDCDMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2ccccc2O)cnn1C ZINC000903884483 711316330 /nfs/dbraw/zinc/31/63/30/711316330.db2.gz AXLWWHSLALBAPB-CQSZACIVSA-N 2 1 302.422 1.684 20 10 DDCDMP C[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118179224 781055004 /nfs/dbraw/zinc/05/50/04/781055004.db2.gz NTVRGIIANNEBMY-CQSZACIVSA-N 2 1 306.429 1.371 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCO3)cc2F)CC1 ZINC001118485239 781136148 /nfs/dbraw/zinc/13/61/48/781136148.db2.gz WMPJFJDAGNBONN-HNNXBMFYSA-N 2 1 307.413 1.846 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC[NH+]3CCC3)cc2)CC1 ZINC001326795727 861614187 /nfs/dbraw/zinc/61/41/87/861614187.db2.gz IKKKZONELWPKAU-UHFFFAOYSA-N 3 1 302.466 1.624 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c1 ZINC001275313849 852973919 /nfs/dbraw/zinc/97/39/19/852973919.db2.gz FVJXBVKFOKVKPV-CALCHBBNSA-N 2 1 319.449 1.147 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1 ZINC001275834089 853842258 /nfs/dbraw/zinc/84/22/58/853842258.db2.gz VDKLFLONFXCWCE-PKOBYXMFSA-N 2 1 316.493 1.820 20 10 DDCDMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(O)c1O ZINC001275962392 854021913 /nfs/dbraw/zinc/02/19/13/854021913.db2.gz FRMNAESYCGRKPE-OKILXGFUSA-N 2 1 306.406 1.880 20 10 DDCDMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(O)c1O ZINC001275962392 854021916 /nfs/dbraw/zinc/02/19/16/854021916.db2.gz FRMNAESYCGRKPE-OKILXGFUSA-N 2 1 306.406 1.880 20 10 DDCDMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc(O)c1O ZINC001275962392 854021920 /nfs/dbraw/zinc/02/19/20/854021920.db2.gz FRMNAESYCGRKPE-OKILXGFUSA-N 2 1 306.406 1.880 20 10 DDCDMP CC[C@@]1(O)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325903510 860943569 /nfs/dbraw/zinc/94/35/69/860943569.db2.gz ONPYNHZHAFEJHR-GOSISDBHSA-N 2 1 321.440 1.924 20 10 DDCDMP CC[C@@]1(O)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325903510 860943574 /nfs/dbraw/zinc/94/35/74/860943574.db2.gz ONPYNHZHAFEJHR-GOSISDBHSA-N 2 1 321.440 1.924 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@H](O)C3)cc2F)CC1 ZINC001339481058 870517041 /nfs/dbraw/zinc/51/70/41/870517041.db2.gz BGSHSXWUZCHZMQ-HNNXBMFYSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](O)C3)cc2F)CC1 ZINC001339481058 870517078 /nfs/dbraw/zinc/51/70/78/870517078.db2.gz BGSHSXWUZCHZMQ-HNNXBMFYSA-N 2 1 307.413 1.534 20 10 DDCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205240674 871453505 /nfs/dbraw/zinc/45/35/05/871453505.db2.gz MSHHFTVBFUWWQK-OAHLLOKOSA-N 2 1 314.813 1.730 20 10 DDCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205673367 871687917 /nfs/dbraw/zinc/68/79/17/871687917.db2.gz PWBPYFFNLYJUSW-SFHVURJKSA-N 2 1 319.449 1.199 20 10 DDCDMP COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205689408 871700649 /nfs/dbraw/zinc/70/06/49/871700649.db2.gz ODOCTIGOOXIIOH-QGZVFWFLSA-N 2 1 307.438 1.437 20 10 DDCDMP CCN(CC)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234980137 888291080 /nfs/dbraw/zinc/29/10/80/888291080.db2.gz FWMYSUKUMCAYCI-GOSISDBHSA-N 2 1 302.466 1.670 20 10 DDCDMP CC1(C)C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177153 892463864 /nfs/dbraw/zinc/46/38/64/892463864.db2.gz ZJMKYLZNTLQFOI-MRXNPFEDSA-N 2 1 302.466 1.716 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C3(C)C)cc2)CC1 ZINC000812778982 702235790 /nfs/dbraw/zinc/23/57/90/702235790.db2.gz SDCLQUDXKQDXEW-QGZVFWFLSA-N 2 1 303.450 1.784 20 10 DDCDMP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000817414647 702373663 /nfs/dbraw/zinc/37/36/63/702373663.db2.gz NDGNYYJJTAZXMV-QAPCUYQASA-N 2 1 303.450 1.784 20 10 DDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000817976912 702541660 /nfs/dbraw/zinc/54/16/60/702541660.db2.gz WTOQTWNEJXZGRE-IAQYHMDHSA-N 2 1 304.390 1.972 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000843122049 702824032 /nfs/dbraw/zinc/82/40/32/702824032.db2.gz OFGICBCRIGNOQC-OAHLLOKOSA-N 2 1 305.422 1.520 20 10 DDCDMP Cc1cccc(O)c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876715006 705834707 /nfs/dbraw/zinc/83/47/07/705834707.db2.gz ISKDRILAUYKVFR-INIZCTEOSA-N 2 1 303.450 1.912 20 10 DDCDMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851554 707392463 /nfs/dbraw/zinc/39/24/63/707392463.db2.gz MOWQKBFENWIQOX-UHFFFAOYSA-N 2 1 318.465 1.395 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC000898187410 708568733 /nfs/dbraw/zinc/56/87/33/708568733.db2.gz JIFUGFFVVOMJCT-DLBZAZTESA-N 2 1 307.413 1.343 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC000898187410 708568737 /nfs/dbraw/zinc/56/87/37/708568737.db2.gz JIFUGFFVVOMJCT-DLBZAZTESA-N 2 1 307.413 1.343 20 10 DDCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000891247092 710140679 /nfs/dbraw/zinc/14/06/79/710140679.db2.gz HGLHPZBYVPFDJR-NVXWUHKLSA-N 2 1 318.465 1.423 20 10 DDCDMP COc1ccc(N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c(OC)c1 ZINC000903476261 711138245 /nfs/dbraw/zinc/13/82/45/711138245.db2.gz SMKLQZUIODNCAS-CABCVRRESA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903496985 711152361 /nfs/dbraw/zinc/15/23/61/711152361.db2.gz MGRUWVYSJWNVSY-GDBMZVCRSA-N 2 1 318.465 1.286 20 10 DDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001203877716 747169507 /nfs/dbraw/zinc/16/95/07/747169507.db2.gz WQOJHAZTRPHQAD-LSDHHAIUSA-N 2 1 305.422 1.308 20 10 DDCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099464 776621279 /nfs/dbraw/zinc/62/12/79/776621279.db2.gz IBJATGLRUJVSEO-ZJOBFFGXSA-N 2 1 306.406 1.736 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001275913142 853935371 /nfs/dbraw/zinc/93/53/71/853935371.db2.gz JCHFPLXYMFBRKP-CJNGLKHVSA-N 2 1 307.413 1.599 20 10 DDCDMP COc1cc(CN2CC[N@H+]3CC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259699 860340216 /nfs/dbraw/zinc/34/02/16/860340216.db2.gz AQNWYXRXPAMRQQ-OAHLLOKOSA-N 2 1 305.422 1.352 20 10 DDCDMP C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828556 871840586 /nfs/dbraw/zinc/84/05/86/871840586.db2.gz LWEZHWUYKYERGR-QAPCUYQASA-N 2 1 302.466 1.655 20 10 DDCDMP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828556 871840606 /nfs/dbraw/zinc/84/06/06/871840606.db2.gz LWEZHWUYKYERGR-QAPCUYQASA-N 2 1 302.466 1.655 20 10 DDCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828556 871840625 /nfs/dbraw/zinc/84/06/25/871840625.db2.gz LWEZHWUYKYERGR-QAPCUYQASA-N 3 1 302.466 1.655 20 10 DDCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828556 871840646 /nfs/dbraw/zinc/84/06/46/871840646.db2.gz LWEZHWUYKYERGR-QAPCUYQASA-N 3 1 302.466 1.655 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2F)CC1 ZINC001348514749 874606115 /nfs/dbraw/zinc/60/61/15/874606115.db2.gz GSDMAWYNGSBGFM-INIZCTEOSA-N 3 1 320.456 1.809 20 10 DDCDMP c1cc(N2CCCCC2)ccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234983873 888296679 /nfs/dbraw/zinc/29/66/79/888296679.db2.gz ZDERSMVSFLCJQN-LJQANCHMSA-N 2 1 314.477 1.814 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235271820 888520131 /nfs/dbraw/zinc/52/01/31/888520131.db2.gz PCMAWHOUPRZXBV-SJLPKXTDSA-N 3 1 300.450 1.280 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235271820 888520148 /nfs/dbraw/zinc/52/01/48/888520148.db2.gz PCMAWHOUPRZXBV-SJLPKXTDSA-N 2 1 300.450 1.280 20 10 DDCDMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](Cc1ccc(N)cc1)C2 ZINC001235335056 888565019 /nfs/dbraw/zinc/56/50/19/888565019.db2.gz SNRBBTWJCLEYMN-VUNQQRPYSA-N 2 1 315.417 1.099 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939581 889025557 /nfs/dbraw/zinc/02/55/57/889025557.db2.gz PXBIUMRZGZOQMO-IRXDYDNUSA-N 3 1 300.450 1.138 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235993503 889050477 /nfs/dbraw/zinc/05/04/77/889050477.db2.gz QFGWOOBFSBBSEL-BYICEURKSA-N 2 1 303.450 1.938 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1O ZINC001236931704 889427055 /nfs/dbraw/zinc/42/70/55/889427055.db2.gz KZTNREIJMRPUHT-KDOFPFPSSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CO)c(F)c2)CC1 ZINC001236935990 889430549 /nfs/dbraw/zinc/43/05/49/889430549.db2.gz NFPWYFGAGDXCDP-INIZCTEOSA-N 2 1 307.413 1.534 20 10 DDCDMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001237082124 889498668 /nfs/dbraw/zinc/49/86/68/889498668.db2.gz POIAQNGKDCZXHN-SFESLNEESA-N 3 1 317.433 1.576 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C3CCC3)cc2F)CC1 ZINC001261258915 899439756 /nfs/dbraw/zinc/43/97/56/899439756.db2.gz QOSTXZAKOCXJAS-SFHVURJKSA-N 2 1 321.440 1.828 20 10 DDCDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179571085 407806127 /nfs/dbraw/zinc/80/61/27/407806127.db2.gz AXRMZGXSRMYSSC-QGZVFWFLSA-N 2 1 303.450 1.994 20 10 DDCDMP Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000293898751 409203248 /nfs/dbraw/zinc/20/32/48/409203248.db2.gz WIRFTXGNOXCTGV-HNNXBMFYSA-N 2 1 319.449 1.824 20 10 DDCDMP CC[C@]1(O)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779217891 698403013 /nfs/dbraw/zinc/40/30/13/698403013.db2.gz CWOZPPPMKXNNJS-SFHVURJKSA-N 2 1 303.450 1.785 20 10 DDCDMP CCn1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000840955844 702292741 /nfs/dbraw/zinc/29/27/41/702292741.db2.gz YJLABHXURBBYQE-UHFFFAOYSA-N 2 1 313.449 1.945 20 10 DDCDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162646 702980419 /nfs/dbraw/zinc/98/04/19/702980419.db2.gz KLIISUKZRFLBOJ-SJORKVTESA-N 2 1 318.465 1.743 20 10 DDCDMP COc1c(O)c(C[NH+]2CCC(CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000844913076 703084297 /nfs/dbraw/zinc/08/42/97/703084297.db2.gz YIQMJYQJMNHEQV-UHFFFAOYSA-N 2 1 309.366 1.870 20 10 DDCDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846699622 703320155 /nfs/dbraw/zinc/32/01/55/703320155.db2.gz VIFVRKYSIDLONJ-HIFRSBDPSA-N 2 1 307.413 1.974 20 10 DDCDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846699622 703320158 /nfs/dbraw/zinc/32/01/58/703320158.db2.gz VIFVRKYSIDLONJ-HIFRSBDPSA-N 2 1 307.413 1.974 20 10 DDCDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924750974 714655734 /nfs/dbraw/zinc/65/57/34/714655734.db2.gz HVFFIKRWYYSLSW-JJTKIYQPSA-N 2 1 315.461 1.953 20 10 DDCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CO1 ZINC001326492390 861405409 /nfs/dbraw/zinc/40/54/09/861405409.db2.gz ZDCISTLVFLUUTN-ZFWWWQNUSA-N 2 1 307.413 1.845 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001275278315 852949021 /nfs/dbraw/zinc/94/90/21/852949021.db2.gz HMHJNRXAIJWPAD-IRXDYDNUSA-N 2 1 319.449 1.611 20 10 DDCDMP CO[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1F ZINC001139404450 860388896 /nfs/dbraw/zinc/38/88/96/860388896.db2.gz HSUMMICZASLRRV-IRXDYDNUSA-N 2 1 307.413 1.607 20 10 DDCDMP CO[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1F ZINC001139404450 860388900 /nfs/dbraw/zinc/38/89/00/860388900.db2.gz HSUMMICZASLRRV-IRXDYDNUSA-N 2 1 307.413 1.607 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C3(C)C)cc2F)CC1 ZINC001323997574 867000778 /nfs/dbraw/zinc/00/07/78/867000778.db2.gz QJOREHGQPFJISS-KRWDZBQOSA-N 2 1 321.440 1.923 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)C3(C)C)cc2F)CC1 ZINC001323997574 867000796 /nfs/dbraw/zinc/00/07/96/867000796.db2.gz QJOREHGQPFJISS-KRWDZBQOSA-N 2 1 321.440 1.923 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC34CC(O)C4)cc2F)CC1 ZINC001334336494 867496543 /nfs/dbraw/zinc/49/65/43/867496543.db2.gz NUNNSRYFEMSIEE-ZCDVPAHGSA-N 2 1 319.424 1.581 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)ccc21 ZINC001205673882 871688125 /nfs/dbraw/zinc/68/81/25/871688125.db2.gz VGHYRJJIKWMPEH-GOSISDBHSA-N 2 1 303.450 1.745 20 10 DDCDMP Oc1ccc(C(F)(F)F)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234989956 888313029 /nfs/dbraw/zinc/31/30/29/888313029.db2.gz NQOJOHMXEMEPQY-CQSZACIVSA-N 2 1 315.339 1.548 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031756 888353077 /nfs/dbraw/zinc/35/30/77/888353077.db2.gz GTKNXDXBENOHHZ-GOSISDBHSA-N 3 1 300.450 1.282 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031756 888353090 /nfs/dbraw/zinc/35/30/90/888353090.db2.gz GTKNXDXBENOHHZ-GOSISDBHSA-N 2 1 300.450 1.282 20 10 DDCDMP CC(C)[C@@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235457347 888658027 /nfs/dbraw/zinc/65/80/27/888658027.db2.gz CTIAYTFPUDLKKF-KRWDZBQOSA-N 2 1 318.465 1.232 20 10 DDCDMP CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235457347 888658035 /nfs/dbraw/zinc/65/80/35/888658035.db2.gz CTIAYTFPUDLKKF-KRWDZBQOSA-N 2 1 318.465 1.232 20 10 DDCDMP CCC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236323662 889185641 /nfs/dbraw/zinc/18/56/41/889185641.db2.gz IVEJJSIUKBBUGO-QGZVFWFLSA-N 3 1 318.465 1.376 20 10 DDCDMP CCC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236323662 889185649 /nfs/dbraw/zinc/18/56/49/889185649.db2.gz IVEJJSIUKBBUGO-QGZVFWFLSA-N 3 1 318.465 1.376 20 10 DDCDMP CCC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835886 889378371 /nfs/dbraw/zinc/37/83/71/889378371.db2.gz QLNVXKASNZHYEQ-GOSISDBHSA-N 3 1 316.493 1.918 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246171160 892459381 /nfs/dbraw/zinc/45/93/81/892459381.db2.gz CJCZLWXOCQBZII-QGZVFWFLSA-N 2 1 314.477 1.861 20 10 DDCDMP CC1(C)C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177152 892464392 /nfs/dbraw/zinc/46/43/92/892464392.db2.gz ZJMKYLZNTLQFOI-INIZCTEOSA-N 2 1 302.466 1.716 20 10 DDCDMP CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000775701263 698024449 /nfs/dbraw/zinc/02/44/49/698024449.db2.gz PYCQBNDULCSDCH-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+](C)CC3(C)C)cc2)CC1 ZINC000775701263 698024452 /nfs/dbraw/zinc/02/44/52/698024452.db2.gz PYCQBNDULCSDCH-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)CC3(C)C)cc2)CC1 ZINC000775701263 698024455 /nfs/dbraw/zinc/02/44/55/698024455.db2.gz PYCQBNDULCSDCH-UHFFFAOYSA-N 2 1 316.493 1.964 20 10 DDCDMP COc1c(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841035047 702317513 /nfs/dbraw/zinc/31/75/13/702317513.db2.gz YQEVAIWNUFMOTO-WDEREUQCSA-N 2 1 309.366 1.787 20 10 DDCDMP Fc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1N1CCOCC1 ZINC000841086899 702340572 /nfs/dbraw/zinc/34/05/72/702340572.db2.gz QDRIGBXMXYNSNU-HNNXBMFYSA-N 2 1 323.412 1.130 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843057508 702809431 /nfs/dbraw/zinc/80/94/31/702809431.db2.gz IWTRFJXISFJLHQ-UKRRQHHQSA-N 2 1 307.413 1.831 20 10 DDCDMP Cc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122900 702824231 /nfs/dbraw/zinc/82/42/31/702824231.db2.gz WPYIEBNOAZQFRM-HNNXBMFYSA-N 2 1 305.422 1.520 20 10 DDCDMP COc1ccc(N2CCC[N@@H+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000844222180 702995992 /nfs/dbraw/zinc/99/59/92/702995992.db2.gz ZERGSWHXAHTTPX-UHFFFAOYSA-N 2 1 318.465 1.113 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844222607 702996187 /nfs/dbraw/zinc/99/61/87/702996187.db2.gz IXWBHBXSKGWNTR-UKRRQHHQSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844222607 702996188 /nfs/dbraw/zinc/99/61/88/702996188.db2.gz IXWBHBXSKGWNTR-UKRRQHHQSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844227494 702997373 /nfs/dbraw/zinc/99/73/73/702997373.db2.gz WZRYQTNUZPKEIJ-GDBMZVCRSA-N 2 1 318.465 1.286 20 10 DDCDMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844227494 702997375 /nfs/dbraw/zinc/99/73/75/702997375.db2.gz WZRYQTNUZPKEIJ-GDBMZVCRSA-N 2 1 318.465 1.286 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1CO ZINC000857061298 704549359 /nfs/dbraw/zinc/54/93/59/704549359.db2.gz OBGCFGZVZNRVCV-AEFFLSMTSA-N 2 1 317.477 1.889 20 10 DDCDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273004 706882677 /nfs/dbraw/zinc/88/26/77/706882677.db2.gz LDPCDPZPDOIRKF-IAGOWNOFSA-N 2 1 318.465 1.743 20 10 DDCDMP COc1ccc(O)c(C[NH2+][C@H]2CNCC3(CCOCC3)C2)c1 ZINC000903972107 711352523 /nfs/dbraw/zinc/35/25/23/711352523.db2.gz GRSNZWSOMGVRAS-CQSZACIVSA-N 2 1 306.406 1.649 20 10 DDCDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000922388377 714036732 /nfs/dbraw/zinc/03/67/32/714036732.db2.gz PIVPDPDAKUQGMA-DDBAPUKQSA-N 2 1 304.434 1.962 20 10 DDCDMP C[C@@H]1[NH2+]CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001326991139 861778660 /nfs/dbraw/zinc/77/86/60/861778660.db2.gz OQBYLOGBQDIRTQ-GJZGRUSLSA-N 2 1 320.456 1.760 20 10 DDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001275313136 852973857 /nfs/dbraw/zinc/97/38/57/852973857.db2.gz BFMVITFWDFFJSA-CALCHBBNSA-N 2 1 303.450 1.911 20 10 DDCDMP COc1cc(C[N@@H+](C)CCC2OCCO2)cc(C[NH+](C)C)c1O ZINC001139257836 860337981 /nfs/dbraw/zinc/33/79/81/860337981.db2.gz IGUAOYIZPSORKU-UHFFFAOYSA-N 2 1 324.421 1.657 20 10 DDCDMP COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139258769 860339005 /nfs/dbraw/zinc/33/90/05/860339005.db2.gz VSHIBIXUPXSSFB-UHFFFAOYSA-N 2 1 321.465 1.988 20 10 DDCDMP COc1cc(CN2CC[N@H+]3CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139257094 860339213 /nfs/dbraw/zinc/33/92/13/860339213.db2.gz RCLNSNFAPZONIF-MRXNPFEDSA-N 2 1 319.449 1.742 20 10 DDCDMP Cc1c(O)ccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1O ZINC001140747692 860691491 /nfs/dbraw/zinc/69/14/91/860691491.db2.gz FQOBMJVAJQTDKG-UHFFFAOYSA-N 2 1 321.421 1.002 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(F)c1O)C2 ZINC001276537168 873337539 /nfs/dbraw/zinc/33/75/39/873337539.db2.gz FCNSPJJTKKLCQK-HIFRSBDPSA-N 2 1 307.413 1.599 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(F)c1O)C2 ZINC001276537168 873337553 /nfs/dbraw/zinc/33/75/53/873337553.db2.gz FCNSPJJTKKLCQK-HIFRSBDPSA-N 2 1 307.413 1.599 20 10 DDCDMP Cc1cc(F)cc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c1O ZINC001277519807 885668814 /nfs/dbraw/zinc/66/88/14/885668814.db2.gz MCUNVGKMDHNFLN-UHFFFAOYSA-N 2 1 307.413 1.661 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCC3(C1)CC[NH2+]CC3)C[NH2+]CCO2 ZINC001235091556 888407450 /nfs/dbraw/zinc/40/74/50/888407450.db2.gz FLARYJTXGPULAP-UHFFFAOYSA-N 3 1 317.433 1.450 20 10 DDCDMP [NH3+]CCN(CC[NH3+])Cc1cc(F)cc(Br)c1O ZINC001235880857 888998690 /nfs/dbraw/zinc/99/86/90/888998690.db2.gz QHEMXQGJWUDJNU-UHFFFAOYSA-N 2 1 306.179 1.013 20 10 DDCDMP CC[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@@H]1CC[NH2+]C1 ZINC001236409462 889226112 /nfs/dbraw/zinc/22/61/12/889226112.db2.gz ARWAQKJYZBNNFQ-CYBMUJFWSA-N 3 1 305.422 1.306 20 10 DDCDMP CC[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C[C@@H]1CC[NH2+]C1 ZINC001236409462 889226129 /nfs/dbraw/zinc/22/61/29/889226129.db2.gz ARWAQKJYZBNNFQ-CYBMUJFWSA-N 2 1 305.422 1.306 20 10 DDCDMP CC[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C[C@@H]1CC[NH2+]C1 ZINC001236409462 889226144 /nfs/dbraw/zinc/22/61/44/889226144.db2.gz ARWAQKJYZBNNFQ-CYBMUJFWSA-N 2 1 305.422 1.306 20 10 DDCDMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236420556 889229463 /nfs/dbraw/zinc/22/94/63/889229463.db2.gz PJWPXYZJEOQGGA-XJKSGUPXSA-N 3 1 304.438 1.113 20 10 DDCDMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236420556 889229483 /nfs/dbraw/zinc/22/94/83/889229483.db2.gz PJWPXYZJEOQGGA-XJKSGUPXSA-N 3 1 304.438 1.113 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)C3)c(F)c2)CC1 ZINC001236936568 889432194 /nfs/dbraw/zinc/43/21/94/889432194.db2.gz SWROMFCXEPDYFR-KRWDZBQOSA-N 2 1 307.413 1.534 20 10 DDCDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)CC1 ZINC000093132619 193205170 /nfs/dbraw/zinc/20/51/70/193205170.db2.gz UXBQDUPAHYWKAZ-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](F)(CO)C3)cc2)CC1 ZINC000802660615 700416471 /nfs/dbraw/zinc/41/64/71/700416471.db2.gz RHHPGKVPNMHFDU-KRWDZBQOSA-N 2 1 307.413 1.345 20 10 DDCDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466234 701180540 /nfs/dbraw/zinc/18/05/40/701180540.db2.gz PWLRGICMPXIVIQ-LRDDRELGSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466234 701180542 /nfs/dbraw/zinc/18/05/42/701180542.db2.gz PWLRGICMPXIVIQ-LRDDRELGSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466234 701180544 /nfs/dbraw/zinc/18/05/44/701180544.db2.gz PWLRGICMPXIVIQ-LRDDRELGSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466234 701180545 /nfs/dbraw/zinc/18/05/45/701180545.db2.gz PWLRGICMPXIVIQ-LRDDRELGSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466234 701180547 /nfs/dbraw/zinc/18/05/47/701180547.db2.gz PWLRGICMPXIVIQ-LRDDRELGSA-N 2 1 306.406 1.592 20 10 DDCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000840087487 701960936 /nfs/dbraw/zinc/96/09/36/701960936.db2.gz SVUQGRCWBFTYSO-SJLPKXTDSA-N 2 1 318.417 1.736 20 10 DDCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000840087487 701960943 /nfs/dbraw/zinc/96/09/43/701960943.db2.gz SVUQGRCWBFTYSO-SJLPKXTDSA-N 2 1 318.417 1.736 20 10 DDCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000840087487 701960950 /nfs/dbraw/zinc/96/09/50/701960950.db2.gz SVUQGRCWBFTYSO-SJLPKXTDSA-N 2 1 318.417 1.736 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000844226530 702997028 /nfs/dbraw/zinc/99/70/28/702997028.db2.gz NDIMCEPZWGNQIO-MRXNPFEDSA-N 2 1 318.465 1.347 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000848563934 703563551 /nfs/dbraw/zinc/56/35/51/703563551.db2.gz ZJXYRNXGAIJYBW-IZAXUBKRSA-N 2 1 316.493 1.868 20 10 DDCDMP Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000876995985 705952370 /nfs/dbraw/zinc/95/23/70/705952370.db2.gz LNZPAUNIBWVJRF-INIZCTEOSA-N 2 1 319.449 1.733 20 10 DDCDMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000876995985 705952373 /nfs/dbraw/zinc/95/23/73/705952373.db2.gz LNZPAUNIBWVJRF-INIZCTEOSA-N 2 1 319.449 1.733 20 10 DDCDMP CCN(CC)c1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000863649494 705976496 /nfs/dbraw/zinc/97/64/96/705976496.db2.gz ZVENJDIHJHHIHN-UHFFFAOYSA-N 2 1 315.421 1.777 20 10 DDCDMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000873229043 707777960 /nfs/dbraw/zinc/77/79/60/707777960.db2.gz YZZTZUHKSQBQSD-MNOVXSKESA-N 2 1 304.312 1.970 20 10 DDCDMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000873229043 707777962 /nfs/dbraw/zinc/77/79/62/707777962.db2.gz YZZTZUHKSQBQSD-MNOVXSKESA-N 2 1 304.312 1.970 20 10 DDCDMP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1O ZINC000925857984 714952484 /nfs/dbraw/zinc/95/24/84/714952484.db2.gz RFFLFOWYLVTLPX-AAEUAGOBSA-N 2 1 322.380 1.867 20 10 DDCDMP COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206209723 777316083 /nfs/dbraw/zinc/31/60/83/777316083.db2.gz ISFHGGJYEGCYFS-KGLIPLIRSA-N 2 1 310.369 1.369 20 10 DDCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nncn1C ZINC001177718773 778712010 /nfs/dbraw/zinc/71/20/10/778712010.db2.gz KRQXJVYZWKWZSO-AWEZNQCLSA-N 2 1 314.437 1.418 20 10 DDCDMP CC[N@H+]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C[C@H]1C ZINC001139259913 860340502 /nfs/dbraw/zinc/34/05/02/860340502.db2.gz KDQPTYVFFYYGDJ-CQSZACIVSA-N 2 1 321.465 1.988 20 10 DDCDMP CN1CC2(C1)CC[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139411023 860390111 /nfs/dbraw/zinc/39/01/11/860390111.db2.gz QPKNYPTWBJMHEC-UHFFFAOYSA-N 2 1 314.477 1.576 20 10 DDCDMP CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001330872340 864669909 /nfs/dbraw/zinc/66/99/09/864669909.db2.gz JOMVKRCRYFHWFM-DOTOQJQBSA-N 2 1 323.412 1.081 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H](N)CC3)cc2)CC1 ZINC001206173997 872110617 /nfs/dbraw/zinc/11/06/17/872110617.db2.gz LCORGOOVXFOCLB-MSOLQXFVSA-N 2 1 320.456 1.700 20 10 DDCDMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235808358 888963858 /nfs/dbraw/zinc/96/38/58/888963858.db2.gz BGZCDFIAOGFIIF-ACHSLPGTSA-N 3 1 316.449 1.256 20 10 DDCDMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235809748 888967265 /nfs/dbraw/zinc/96/72/65/888967265.db2.gz IJSCAOHEFOLTLE-VBUUOAMHSA-N 3 1 300.450 1.550 20 10 DDCDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C[C@@H]12 ZINC001236818499 889370888 /nfs/dbraw/zinc/37/08/88/889370888.db2.gz IXXBOXIONMSPEY-KBAYOESNSA-N 3 1 300.450 1.265 20 10 DDCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000185341399 408798076 /nfs/dbraw/zinc/79/80/76/408798076.db2.gz AZGAAYIYLNOKHJ-CYBMUJFWSA-N 2 1 321.421 1.216 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292194344 408998756 /nfs/dbraw/zinc/99/87/56/408998756.db2.gz ZFKNMJQUQXJEOF-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292194344 408998760 /nfs/dbraw/zinc/99/87/60/408998760.db2.gz ZFKNMJQUQXJEOF-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292194344 408998763 /nfs/dbraw/zinc/99/87/63/408998763.db2.gz ZFKNMJQUQXJEOF-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292194344 408998766 /nfs/dbraw/zinc/99/87/66/408998766.db2.gz ZFKNMJQUQXJEOF-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000180084645 521695439 /nfs/dbraw/zinc/69/54/39/521695439.db2.gz MGYRPDWZXINZAA-INIZCTEOSA-N 2 1 307.413 1.743 20 10 DDCDMP CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1O ZINC000319088143 698709694 /nfs/dbraw/zinc/70/96/94/698709694.db2.gz BWSAFGDAQLLTPN-HNNXBMFYSA-N 2 1 305.422 1.270 20 10 DDCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000840087489 701960909 /nfs/dbraw/zinc/96/09/09/701960909.db2.gz SVUQGRCWBFTYSO-WMZOPIPTSA-N 2 1 318.417 1.736 20 10 DDCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000840087489 701960918 /nfs/dbraw/zinc/96/09/18/701960918.db2.gz SVUQGRCWBFTYSO-WMZOPIPTSA-N 2 1 318.417 1.736 20 10 DDCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000840087489 701960925 /nfs/dbraw/zinc/96/09/25/701960925.db2.gz SVUQGRCWBFTYSO-WMZOPIPTSA-N 2 1 318.417 1.736 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843053105 702809145 /nfs/dbraw/zinc/80/91/45/702809145.db2.gz YOJASJVHJKKLNC-CJNGLKHVSA-N 2 1 307.413 1.831 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843053105 702809147 /nfs/dbraw/zinc/80/91/47/702809147.db2.gz YOJASJVHJKKLNC-CJNGLKHVSA-N 2 1 307.413 1.831 20 10 DDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220771 702995408 /nfs/dbraw/zinc/99/54/08/702995408.db2.gz AVLDCLDBJRWVMS-GDBMZVCRSA-N 2 1 318.465 1.380 20 10 DDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220771 702995410 /nfs/dbraw/zinc/99/54/10/702995410.db2.gz AVLDCLDBJRWVMS-GDBMZVCRSA-N 2 1 318.465 1.380 20 10 DDCDMP COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000848911093 703602212 /nfs/dbraw/zinc/60/22/12/703602212.db2.gz PNZBVWJBTYTVCW-HNNXBMFYSA-N 2 1 306.406 1.744 20 10 DDCDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834571166 707088322 /nfs/dbraw/zinc/08/83/22/707088322.db2.gz PHMXFLVZIXHWIE-INIZCTEOSA-N 2 1 303.450 1.997 20 10 DDCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099463 776621765 /nfs/dbraw/zinc/62/17/65/776621765.db2.gz IBJATGLRUJVSEO-VWPFQQQWSA-N 2 1 306.406 1.736 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C(C)(C)C3)cc2F)CC1 ZINC001116852393 780567790 /nfs/dbraw/zinc/56/77/90/780567790.db2.gz VSTFPVGPQFEBHC-KRWDZBQOSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C(C)(C)C3)cc2F)CC1 ZINC001116852393 780567796 /nfs/dbraw/zinc/56/77/96/780567796.db2.gz VSTFPVGPQFEBHC-KRWDZBQOSA-N 2 1 321.440 1.780 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253160 860336729 /nfs/dbraw/zinc/33/67/29/860336729.db2.gz ODJFTMULHBQGNN-OCCSQVGLSA-N 2 1 308.422 1.665 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4COC[C@@H]4C3)cc2)CC1 ZINC001139412357 860392382 /nfs/dbraw/zinc/39/23/82/860392382.db2.gz ILAAEHWSHJGSPH-ROUUACIJSA-N 2 1 315.461 1.907 20 10 DDCDMP C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331839951 865376576 /nfs/dbraw/zinc/37/65/76/865376576.db2.gz OSLPVEISJUSCDT-XJKSGUPXSA-N 2 1 306.429 1.418 20 10 DDCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332358710 865787809 /nfs/dbraw/zinc/78/78/09/865787809.db2.gz KOJLMUXVTUDLNS-LJQANCHMSA-N 2 1 314.477 1.766 20 10 DDCDMP C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320060138 866450857 /nfs/dbraw/zinc/45/08/57/866450857.db2.gz LSQMKSNRGFFLKG-GOEBONIOSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320060138 866450864 /nfs/dbraw/zinc/45/08/64/866450864.db2.gz LSQMKSNRGFFLKG-GOEBONIOSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](O)C3(C)C)cc2F)CC1 ZINC001320472793 866763670 /nfs/dbraw/zinc/76/36/70/866763670.db2.gz PCGZIUKPJWEPNI-IRXDYDNUSA-N 2 1 321.440 1.827 20 10 DDCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205579239 871640035 /nfs/dbraw/zinc/64/00/35/871640035.db2.gz LOCPNVGPRVVJAN-KRWDZBQOSA-N 3 1 323.412 1.527 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002829 871984648 /nfs/dbraw/zinc/98/46/48/871984648.db2.gz BPLIZNMKNKRTNG-AEFFLSMTSA-N 3 1 316.493 1.903 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1O ZINC001236931696 889428312 /nfs/dbraw/zinc/42/83/12/889428312.db2.gz KZTNREIJMRPUHT-KBXCAEBGSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CO)C3)c(F)c2)CC1 ZINC001236933440 889430435 /nfs/dbraw/zinc/43/04/35/889430435.db2.gz XHZMMOQEBIRECA-OAHLLOKOSA-N 2 1 321.440 1.782 20 10 DDCDMP C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943176 889435993 /nfs/dbraw/zinc/43/59/93/889435993.db2.gz QKFYURWJXQTNDS-IRXDYDNUSA-N 2 1 318.440 1.466 20 10 DDCDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(F)ccc3O)CC2)C1 ZINC000360674452 418488732 /nfs/dbraw/zinc/48/87/32/418488732.db2.gz TYHYSMBZVHTHPI-MRXNPFEDSA-N 2 1 307.413 1.743 20 10 DDCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(F)ccc3O)CC2)C1 ZINC000360674452 418488734 /nfs/dbraw/zinc/48/87/34/418488734.db2.gz TYHYSMBZVHTHPI-MRXNPFEDSA-N 2 1 307.413 1.743 20 10 DDCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179633703 697440065 /nfs/dbraw/zinc/44/00/65/697440065.db2.gz GNEUNIFOZJKWLO-KRWDZBQOSA-N 2 1 303.450 1.907 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)[C@H](O)CO2 ZINC000768445640 701177548 /nfs/dbraw/zinc/17/75/48/701177548.db2.gz HWNPARMXXCDYSW-SUMWQHHRSA-N 2 1 318.417 1.736 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)[C@H](O)CO2 ZINC000768445640 701177549 /nfs/dbraw/zinc/17/75/49/701177549.db2.gz HWNPARMXXCDYSW-SUMWQHHRSA-N 2 1 318.417 1.736 20 10 DDCDMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466235 701180576 /nfs/dbraw/zinc/18/05/76/701180576.db2.gz PWLRGICMPXIVIQ-MLGOLLRUSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466235 701180577 /nfs/dbraw/zinc/18/05/77/701180577.db2.gz PWLRGICMPXIVIQ-MLGOLLRUSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466235 701180579 /nfs/dbraw/zinc/18/05/79/701180579.db2.gz PWLRGICMPXIVIQ-MLGOLLRUSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466235 701180581 /nfs/dbraw/zinc/18/05/81/701180581.db2.gz PWLRGICMPXIVIQ-MLGOLLRUSA-N 2 1 306.406 1.592 20 10 DDCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466235 701180582 /nfs/dbraw/zinc/18/05/82/701180582.db2.gz PWLRGICMPXIVIQ-MLGOLLRUSA-N 2 1 306.406 1.592 20 10 DDCDMP COc1c(O)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841035044 702317916 /nfs/dbraw/zinc/31/79/16/702317916.db2.gz YQEVAIWNUFMOTO-QWRGUYRKSA-N 2 1 309.366 1.787 20 10 DDCDMP CCOCc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1OC ZINC000841085591 702340685 /nfs/dbraw/zinc/34/06/85/702340685.db2.gz HZUYLCMDGKQYII-INIZCTEOSA-N 2 1 308.422 1.700 20 10 DDCDMP c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc2c1OCC2 ZINC000841087370 702341297 /nfs/dbraw/zinc/34/12/97/702341297.db2.gz LVXSWERMYHBBDG-UHFFFAOYSA-N 2 1 315.461 1.928 20 10 DDCDMP Cc1cccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841100135 702345391 /nfs/dbraw/zinc/34/53/91/702345391.db2.gz VODUPEMHVFZLJP-OAHLLOKOSA-N 2 1 301.394 1.588 20 10 DDCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934386 702528800 /nfs/dbraw/zinc/52/88/00/702528800.db2.gz FXWCTOPTWFOEHQ-CABCVRRESA-N 2 1 311.376 1.771 20 10 DDCDMP CC1([NH3+])CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843108826 702820461 /nfs/dbraw/zinc/82/04/61/702820461.db2.gz UODJVBUKBBWXDP-UHFFFAOYSA-N 2 1 307.413 1.976 20 10 DDCDMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843118027 702822640 /nfs/dbraw/zinc/82/26/40/702822640.db2.gz ZDSCDVKKZPRDLV-QGZVFWFLSA-N 2 1 307.413 1.833 20 10 DDCDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843118027 702822642 /nfs/dbraw/zinc/82/26/42/702822642.db2.gz ZDSCDVKKZPRDLV-QGZVFWFLSA-N 2 1 307.413 1.833 20 10 DDCDMP Fc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843120407 702823340 /nfs/dbraw/zinc/82/33/40/702823340.db2.gz JQEPAKQFKKLICD-SFHVURJKSA-N 2 1 319.424 1.848 20 10 DDCDMP Fc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843120407 702823342 /nfs/dbraw/zinc/82/33/42/702823342.db2.gz JQEPAKQFKKLICD-SFHVURJKSA-N 2 1 319.424 1.848 20 10 DDCDMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506760 705738515 /nfs/dbraw/zinc/73/85/15/705738515.db2.gz OFDLXYGXBGZBOR-OAHLLOKOSA-N 2 1 301.394 1.074 20 10 DDCDMP OCC[NH2+]C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000873215880 707772490 /nfs/dbraw/zinc/77/24/90/707772490.db2.gz GEYNGSLARUHODG-UHFFFAOYSA-N 2 1 319.449 1.070 20 10 DDCDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(O)c1OC ZINC000895845344 711623723 /nfs/dbraw/zinc/62/37/23/711623723.db2.gz VIBODLHLKZKGPA-JSGCOSHPSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(O)c1OC ZINC000895845344 711623725 /nfs/dbraw/zinc/62/37/25/711623725.db2.gz VIBODLHLKZKGPA-JSGCOSHPSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(O)c1OC ZINC000895845344 711623727 /nfs/dbraw/zinc/62/37/27/711623727.db2.gz VIBODLHLKZKGPA-JSGCOSHPSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(O)c1OC ZINC000895845344 711623729 /nfs/dbraw/zinc/62/37/29/711623729.db2.gz VIBODLHLKZKGPA-JSGCOSHPSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001203634360 744364100 /nfs/dbraw/zinc/36/41/00/744364100.db2.gz BBJIVNGMVXURMI-CQSZACIVSA-N 2 1 321.421 1.043 20 10 DDCDMP COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001203634360 744364104 /nfs/dbraw/zinc/36/41/04/744364104.db2.gz BBJIVNGMVXURMI-CQSZACIVSA-N 2 1 321.421 1.043 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)cc1 ZINC001275833511 853839114 /nfs/dbraw/zinc/83/91/14/853839114.db2.gz LAFJGACMDDOHNG-UHFFFAOYSA-N 2 1 302.466 1.574 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139254615 860339350 /nfs/dbraw/zinc/33/93/50/860339350.db2.gz JNOLXELXZHCAIQ-IUODEOHRSA-N 2 1 308.422 1.665 20 10 DDCDMP COc1cc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)cc(C[NH+](C)C)c1O ZINC001139259227 860340323 /nfs/dbraw/zinc/34/03/23/860340323.db2.gz NNKQYZWZRRUFIA-GJZGRUSLSA-N 2 1 305.422 1.351 20 10 DDCDMP CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001319729475 866257877 /nfs/dbraw/zinc/25/78/77/866257877.db2.gz QXUNFLMEACABSZ-MAUKXSAKSA-N 2 1 321.440 1.780 20 10 DDCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001319729475 866257893 /nfs/dbraw/zinc/25/78/93/866257893.db2.gz QXUNFLMEACABSZ-MAUKXSAKSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C3CC3)cc2F)CC1 ZINC001323971098 866987276 /nfs/dbraw/zinc/98/72/76/866987276.db2.gz CJNJRIYKYXBFNI-QGZVFWFLSA-N 2 1 307.413 1.438 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC[N@H+](C)CC3)cc2F)CC1 ZINC001322761618 868370467 /nfs/dbraw/zinc/37/04/67/868370467.db2.gz FNVMNCFWLRDUOL-UHFFFAOYSA-N 2 1 320.456 1.715 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC[N@@H+](C)CC3)cc2F)CC1 ZINC001322761618 868370477 /nfs/dbraw/zinc/37/04/77/868370477.db2.gz FNVMNCFWLRDUOL-UHFFFAOYSA-N 2 1 320.456 1.715 20 10 DDCDMP COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001203628789 870681500 /nfs/dbraw/zinc/68/15/00/870681500.db2.gz FQKXMPLNHDHOQT-DLBZAZTESA-N 2 1 319.449 1.611 20 10 DDCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235061687 888385770 /nfs/dbraw/zinc/38/57/70/888385770.db2.gz NAQUQCYSTXVNHS-GOSISDBHSA-N 2 1 303.450 1.827 20 10 DDCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235061687 888385783 /nfs/dbraw/zinc/38/57/83/888385783.db2.gz NAQUQCYSTXVNHS-GOSISDBHSA-N 2 1 303.450 1.827 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000368539823 418721211 /nfs/dbraw/zinc/72/12/11/418721211.db2.gz VOGAVWFZJDIIHZ-KCQAQPDRSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000368539823 418721214 /nfs/dbraw/zinc/72/12/14/418721214.db2.gz VOGAVWFZJDIIHZ-KCQAQPDRSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1ccc(N2CCC([NH2+]C[C@@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000762786868 700906614 /nfs/dbraw/zinc/90/66/14/700906614.db2.gz LKNIMQLYFZSNDS-SFHVURJKSA-N 2 1 319.449 1.320 20 10 DDCDMP COc1ccc(N2CCC([NH2+]C[C@@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000762786868 700906615 /nfs/dbraw/zinc/90/66/15/700906615.db2.gz LKNIMQLYFZSNDS-SFHVURJKSA-N 2 1 319.449 1.320 20 10 DDCDMP COc1c(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841089858 702342566 /nfs/dbraw/zinc/34/25/66/702342566.db2.gz AZYTVPNUOPUQOL-MEBBXXQBSA-N 2 1 309.366 1.726 20 10 DDCDMP COc1c(O)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841089858 702342573 /nfs/dbraw/zinc/34/25/73/702342573.db2.gz AZYTVPNUOPUQOL-MEBBXXQBSA-N 2 1 309.366 1.726 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000843128888 702825444 /nfs/dbraw/zinc/82/54/44/702825444.db2.gz YNBRFEGXYMGXEV-IEBWSBKVSA-N 3 1 314.477 1.622 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000843128888 702825446 /nfs/dbraw/zinc/82/54/46/702825446.db2.gz YNBRFEGXYMGXEV-IEBWSBKVSA-N 2 1 314.477 1.622 20 10 DDCDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849025326 703612256 /nfs/dbraw/zinc/61/22/56/703612256.db2.gz ZBDQFGGSZJKQEL-ZDUSSCGKSA-N 2 1 306.410 1.499 20 10 DDCDMP Cc1cccc(O)c1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000877022475 705961686 /nfs/dbraw/zinc/96/16/86/705961686.db2.gz VVJIVIPFHTYYBA-CQSZACIVSA-N 2 1 305.422 1.378 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1OC ZINC000872724414 707572512 /nfs/dbraw/zinc/57/25/12/707572512.db2.gz UEGNGGPUKAXRFD-GXTWGEPZSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1OC ZINC000872724414 707572518 /nfs/dbraw/zinc/57/25/18/707572518.db2.gz UEGNGGPUKAXRFD-GXTWGEPZSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1OC ZINC000872724414 707572522 /nfs/dbraw/zinc/57/25/22/707572522.db2.gz UEGNGGPUKAXRFD-GXTWGEPZSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1OC ZINC000872724414 707572528 /nfs/dbraw/zinc/57/25/28/707572528.db2.gz UEGNGGPUKAXRFD-GXTWGEPZSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1OC ZINC000872724415 707572805 /nfs/dbraw/zinc/57/28/05/707572805.db2.gz UEGNGGPUKAXRFD-JSGCOSHPSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1OC ZINC000872724415 707572806 /nfs/dbraw/zinc/57/28/06/707572806.db2.gz UEGNGGPUKAXRFD-JSGCOSHPSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1OC ZINC000872724415 707572807 /nfs/dbraw/zinc/57/28/07/707572807.db2.gz UEGNGGPUKAXRFD-JSGCOSHPSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1OC ZINC000872724415 707572808 /nfs/dbraw/zinc/57/28/08/707572808.db2.gz UEGNGGPUKAXRFD-JSGCOSHPSA-N 2 1 306.406 1.935 20 10 DDCDMP COCC[NH+]1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894207513 711016973 /nfs/dbraw/zinc/01/69/73/711016973.db2.gz YIXSRQSBLGSCNY-UHFFFAOYSA-N 2 1 308.422 1.910 20 10 DDCDMP COc1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)cc(C[NH+](C)C)c1O ZINC001139252892 860336558 /nfs/dbraw/zinc/33/65/58/860336558.db2.gz DLZMNTHNLCAHQF-IYBDPMFKSA-N 2 1 324.421 1.308 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]34CCOC4)cc2)CC1 ZINC001139410795 860391285 /nfs/dbraw/zinc/39/12/85/860391285.db2.gz FLHNGNHXCRECFI-SFHVURJKSA-N 2 1 301.434 1.803 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CO)C3)cc2F)CC1 ZINC001324167225 867117665 /nfs/dbraw/zinc/11/76/65/867117665.db2.gz MDRUFDXRLDCVLB-MRXNPFEDSA-N 2 1 321.440 1.782 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CO)C3)cc2F)CC1 ZINC001324167225 867117668 /nfs/dbraw/zinc/11/76/68/867117668.db2.gz MDRUFDXRLDCVLB-MRXNPFEDSA-N 2 1 321.440 1.782 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCO3)cc2F)CC1 ZINC001324694466 867457150 /nfs/dbraw/zinc/45/71/50/867457150.db2.gz WMPJFJDAGNBONN-OAHLLOKOSA-N 2 1 307.413 1.846 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)cc2F)CC1 ZINC001324821056 867552222 /nfs/dbraw/zinc/55/22/22/867552222.db2.gz CDJHNQYSDNAULH-ZSHCYNCHSA-N 2 1 319.424 1.248 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)cc2F)CC1 ZINC001324821056 867552236 /nfs/dbraw/zinc/55/22/36/867552236.db2.gz CDJHNQYSDNAULH-ZSHCYNCHSA-N 2 1 319.424 1.248 20 10 DDCDMP CCOc1cccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222492113 880506213 /nfs/dbraw/zinc/50/62/13/880506213.db2.gz OMDSQDYOQXTHRW-GJZGRUSLSA-N 2 1 305.422 1.317 20 10 DDCDMP CCOc1cccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222492113 880506220 /nfs/dbraw/zinc/50/62/20/880506220.db2.gz OMDSQDYOQXTHRW-GJZGRUSLSA-N 2 1 305.422 1.317 20 10 DDCDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCC[NH2+]C4)C[C@H]12 ZINC001236830342 889375148 /nfs/dbraw/zinc/37/51/48/889375148.db2.gz NGOTZPSOMDHCFW-BYCMXARLSA-N 3 1 303.406 1.043 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CCOC1 ZINC001236934079 889430156 /nfs/dbraw/zinc/43/01/56/889430156.db2.gz CHVGKZLVVVRZGO-INIZCTEOSA-N 2 1 307.413 1.798 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C[NH2+]CCO2 ZINC001237414459 889622932 /nfs/dbraw/zinc/62/29/32/889622932.db2.gz LBFSMECGAKQTIJ-CZUORRHYSA-N 3 1 317.433 1.448 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C[NH2+]CCO2 ZINC001237414459 889622934 /nfs/dbraw/zinc/62/29/34/889622934.db2.gz LBFSMECGAKQTIJ-CZUORRHYSA-N 3 1 317.433 1.448 20 10 DDCDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2c(cc1O)OCO2 ZINC000289484317 131390144 /nfs/dbraw/zinc/39/01/44/131390144.db2.gz QXYNROLKJIZWEI-UHFFFAOYSA-N 2 1 321.421 1.190 20 10 DDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000273464239 408209843 /nfs/dbraw/zinc/20/98/43/408209843.db2.gz DJCVSJGHGIZQGU-GFCCVEGCSA-N 2 1 322.405 1.286 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817864811 702503992 /nfs/dbraw/zinc/50/39/92/702503992.db2.gz CQXFHNNIECVYKG-UHFFFAOYSA-N 2 1 301.434 1.851 20 10 DDCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000843048117 702807823 /nfs/dbraw/zinc/80/78/23/702807823.db2.gz NUKMHMDKPBPFAZ-CYBMUJFWSA-N 2 1 321.421 1.078 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843057506 702809401 /nfs/dbraw/zinc/80/94/01/702809401.db2.gz IWTRFJXISFJLHQ-DZGCQCFKSA-N 2 1 307.413 1.831 20 10 DDCDMP Fc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843120406 702823395 /nfs/dbraw/zinc/82/33/95/702823395.db2.gz JQEPAKQFKKLICD-GOSISDBHSA-N 2 1 319.424 1.848 20 10 DDCDMP Fc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843120406 702823396 /nfs/dbraw/zinc/82/33/96/702823396.db2.gz JQEPAKQFKKLICD-GOSISDBHSA-N 2 1 319.424 1.848 20 10 DDCDMP OC1CCN(c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000876818874 749327746 /nfs/dbraw/zinc/32/77/46/749327746.db2.gz ZNFJBFKNVSEMRL-IYBDPMFKSA-N 2 1 301.434 1.299 20 10 DDCDMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146409 860795307 /nfs/dbraw/zinc/79/53/07/860795307.db2.gz UOQMZCCDGWWYCF-HOTGVXAUSA-N 2 1 301.434 1.899 20 10 DDCDMP C[NH2+]C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001332340728 865774443 /nfs/dbraw/zinc/77/44/43/865774443.db2.gz ZHCAQIJMMLJKBF-INIZCTEOSA-N 3 1 320.456 1.619 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)ccc21 ZINC001205220629 871436990 /nfs/dbraw/zinc/43/69/90/871436990.db2.gz LTTPGRZYHSUEDW-GOSISDBHSA-N 2 1 303.450 1.745 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[NH2+]C3(C)C)cc2F)CC1 ZINC001348515339 874605965 /nfs/dbraw/zinc/60/59/65/874605965.db2.gz LIUPFAICMZABQR-QGZVFWFLSA-N 2 1 320.456 1.808 20 10 DDCDMP CN1CCCc2cc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)ccc21 ZINC001222497488 880511256 /nfs/dbraw/zinc/51/12/56/880511256.db2.gz MRAMHQHMCOIHTQ-HKUYNNGSSA-N 2 1 314.477 1.595 20 10 DDCDMP CN1CCCc2cc(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)ccc21 ZINC001222497488 880511266 /nfs/dbraw/zinc/51/12/66/880511266.db2.gz MRAMHQHMCOIHTQ-HKUYNNGSSA-N 2 1 314.477 1.595 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)ccc21 ZINC001222497488 880511284 /nfs/dbraw/zinc/51/12/84/880511284.db2.gz MRAMHQHMCOIHTQ-HKUYNNGSSA-N 2 1 314.477 1.595 20 10 DDCDMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235905491 889001320 /nfs/dbraw/zinc/00/13/20/889001320.db2.gz MHMUXSDSJPRLAY-DZGCQCFKSA-N 3 1 304.438 1.113 20 10 DDCDMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235905491 889001335 /nfs/dbraw/zinc/00/13/35/889001335.db2.gz MHMUXSDSJPRLAY-DZGCQCFKSA-N 3 1 304.438 1.113 20 10 DDCDMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001253202306 895715564 /nfs/dbraw/zinc/71/55/64/895715564.db2.gz GUWDDJPIOWKYFU-SFHVURJKSA-N 2 1 321.465 1.316 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000180031877 407847950 /nfs/dbraw/zinc/84/79/50/407847950.db2.gz HQRPOHOODWCOGW-HNNXBMFYSA-N 2 1 320.433 1.945 20 10 DDCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(OC)ccc3O)C2)CC1 ZINC000180069191 521692360 /nfs/dbraw/zinc/69/23/60/521692360.db2.gz QHNZNFJLDCWQMP-MRXNPFEDSA-N 2 1 319.449 1.613 20 10 DDCDMP C[C@H]1[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775987101 698058217 /nfs/dbraw/zinc/05/82/17/698058217.db2.gz UQWQKPDDFMHWLB-IRXDYDNUSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775987101 698058218 /nfs/dbraw/zinc/05/82/18/698058218.db2.gz UQWQKPDDFMHWLB-IRXDYDNUSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775987101 698058221 /nfs/dbraw/zinc/05/82/21/698058221.db2.gz UQWQKPDDFMHWLB-IRXDYDNUSA-N 2 1 316.493 1.963 20 10 DDCDMP COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1O ZINC000841077542 702337874 /nfs/dbraw/zinc/33/78/74/702337874.db2.gz CIODYZCIIRKXFL-SFYZADRCSA-N 2 1 303.200 1.989 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCO2 ZINC000843124601 702824726 /nfs/dbraw/zinc/82/47/26/702824726.db2.gz CXVUIQNFLRKLLZ-OLZOCXBDSA-N 2 1 304.390 1.942 20 10 DDCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220774 702995474 /nfs/dbraw/zinc/99/54/74/702995474.db2.gz AVLDCLDBJRWVMS-ZBFHGGJFSA-N 2 1 318.465 1.380 20 10 DDCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220774 702995476 /nfs/dbraw/zinc/99/54/76/702995476.db2.gz AVLDCLDBJRWVMS-ZBFHGGJFSA-N 2 1 318.465 1.380 20 10 DDCDMP CCN(C)C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391877 704402845 /nfs/dbraw/zinc/40/28/45/704402845.db2.gz RTGBHFBPIZCVIX-DLBZAZTESA-N 2 1 322.449 1.686 20 10 DDCDMP CCN(C)C[C@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391877 704402846 /nfs/dbraw/zinc/40/28/46/704402846.db2.gz RTGBHFBPIZCVIX-DLBZAZTESA-N 2 1 322.449 1.686 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@]1(C)CO ZINC000827700869 706052863 /nfs/dbraw/zinc/05/28/63/706052863.db2.gz YMTDUYHKRPTKGB-VQIMIIECSA-N 2 1 317.477 1.889 20 10 DDCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C(F)(F)F ZINC000873228639 707778256 /nfs/dbraw/zinc/77/82/56/707778256.db2.gz VDEFPFIZXUXFDD-VHSXEESVSA-N 2 1 318.295 1.690 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C(F)(F)F ZINC000873228639 707778258 /nfs/dbraw/zinc/77/82/58/707778258.db2.gz VDEFPFIZXUXFDD-VHSXEESVSA-N 2 1 318.295 1.690 20 10 DDCDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(O)c1OC ZINC000895845350 711623923 /nfs/dbraw/zinc/62/39/23/711623923.db2.gz VIBODLHLKZKGPA-OCCSQVGLSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(O)c1OC ZINC000895845350 711623924 /nfs/dbraw/zinc/62/39/24/711623924.db2.gz VIBODLHLKZKGPA-OCCSQVGLSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1OC ZINC000895845350 711623926 /nfs/dbraw/zinc/62/39/26/711623926.db2.gz VIBODLHLKZKGPA-OCCSQVGLSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(O)c1OC ZINC000895845350 711623929 /nfs/dbraw/zinc/62/39/29/711623929.db2.gz VIBODLHLKZKGPA-OCCSQVGLSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001130300130 767420753 /nfs/dbraw/zinc/42/07/53/767420753.db2.gz JAZSGBWYLBNSCD-INIZCTEOSA-N 2 1 319.449 1.694 20 10 DDCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001275953652 854008835 /nfs/dbraw/zinc/00/88/35/854008835.db2.gz ZQQUEJRSJWMRSX-XJKSGUPXSA-N 2 1 305.422 1.166 20 10 DDCDMP COC[C@H]1CC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139256206 860338332 /nfs/dbraw/zinc/33/83/32/860338332.db2.gz WYMNMBHKVUSYFA-ZDUSSCGKSA-N 2 1 308.422 1.931 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)cc2F)CC1 ZINC001319972379 866411024 /nfs/dbraw/zinc/41/10/24/866411024.db2.gz HABZGBLSOGJWIZ-IYBDPMFKSA-N 2 1 318.440 1.229 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205682742 871692845 /nfs/dbraw/zinc/69/28/45/871692845.db2.gz UEHVKNLSUNGEQB-GOSISDBHSA-N 2 1 321.465 1.914 20 10 DDCDMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235787749 888950775 /nfs/dbraw/zinc/95/07/75/888950775.db2.gz GTROMPKMVUMORQ-GOOCMWNKSA-N 3 1 303.406 1.328 20 10 DDCDMP CN1CCCc2cc(C[N@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)ccc21 ZINC001236072323 889093737 /nfs/dbraw/zinc/09/37/37/889093737.db2.gz GELQTCKKDAICJG-GOSISDBHSA-N 2 1 314.477 1.676 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236208210 889147357 /nfs/dbraw/zinc/14/73/57/889147357.db2.gz TVPDGXULMUVYNA-SFHVURJKSA-N 3 1 318.465 1.376 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236208210 889147363 /nfs/dbraw/zinc/14/73/63/889147363.db2.gz TVPDGXULMUVYNA-SFHVURJKSA-N 3 1 318.465 1.376 20 10 DDCDMP CN1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001262492798 900195338 /nfs/dbraw/zinc/19/53/38/900195338.db2.gz PGBBHDNPPFSVFR-OAHLLOKOSA-N 2 1 306.429 1.371 20 10 DDCDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000377618265 418712097 /nfs/dbraw/zinc/71/20/97/418712097.db2.gz CAFKNEICUDLTSX-INIZCTEOSA-N 2 1 303.450 1.852 20 10 DDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOCC[NH+](C)C)c1 ZINC000774377720 697873657 /nfs/dbraw/zinc/87/36/57/697873657.db2.gz VBQYVROSRCYTEY-GFCCVEGCSA-N 2 1 310.394 1.408 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3C(N)=O)cc2)CC1 ZINC000775641733 698018372 /nfs/dbraw/zinc/01/83/72/698018372.db2.gz BOIITXDVTXLLHA-QGZVFWFLSA-N 2 1 316.449 1.278 20 10 DDCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000840087486 701960993 /nfs/dbraw/zinc/96/09/93/701960993.db2.gz SVUQGRCWBFTYSO-FUHWJXTLSA-N 2 1 318.417 1.736 20 10 DDCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000840087486 701961002 /nfs/dbraw/zinc/96/10/02/701961002.db2.gz SVUQGRCWBFTYSO-FUHWJXTLSA-N 2 1 318.417 1.736 20 10 DDCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)C1 ZINC000840087486 701961007 /nfs/dbraw/zinc/96/10/07/701961007.db2.gz SVUQGRCWBFTYSO-FUHWJXTLSA-N 2 1 318.417 1.736 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)CC3)cc2)CC1 ZINC000816667116 702138330 /nfs/dbraw/zinc/13/83/30/702138330.db2.gz CVRBJGPTEZIEBB-GOSISDBHSA-N 2 1 303.450 1.785 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841057269 702329044 /nfs/dbraw/zinc/32/90/44/702329044.db2.gz IPGCVCUGEJMPDS-IAGOWNOFSA-N 2 1 302.466 1.798 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000841057270 702329174 /nfs/dbraw/zinc/32/91/74/702329174.db2.gz IPGCVCUGEJMPDS-IRXDYDNUSA-N 2 1 302.466 1.798 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099587 702345786 /nfs/dbraw/zinc/34/57/86/702345786.db2.gz MMRUFLGADZIJKL-HNNXBMFYSA-N 2 1 301.394 1.588 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000841101155 702346966 /nfs/dbraw/zinc/34/69/66/702346966.db2.gz PPQRAWSXZKLOKT-WBVHZDCISA-N 2 1 303.450 1.940 20 10 DDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843044949 702807235 /nfs/dbraw/zinc/80/72/35/702807235.db2.gz NJSDBLNEBOSZJR-KRWDZBQOSA-N 2 1 303.450 1.955 20 10 DDCDMP COc1cccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000827700041 706052035 /nfs/dbraw/zinc/05/20/35/706052035.db2.gz OOUROWPEZYVFHU-OAHLLOKOSA-N 2 1 306.406 1.432 20 10 DDCDMP COc1ccc(O)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827857247 706077419 /nfs/dbraw/zinc/07/74/19/706077419.db2.gz ZOLSGNNMNNALCF-INIZCTEOSA-N 2 1 308.422 1.943 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827857247 706077423 /nfs/dbraw/zinc/07/74/23/706077423.db2.gz ZOLSGNNMNNALCF-INIZCTEOSA-N 2 1 308.422 1.943 20 10 DDCDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273003 706882488 /nfs/dbraw/zinc/88/24/88/706882488.db2.gz LDPCDPZPDOIRKF-DLBZAZTESA-N 2 1 318.465 1.743 20 10 DDCDMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864793 711308510 /nfs/dbraw/zinc/30/85/10/711308510.db2.gz XAVMOFMCBPNHOJ-SJLPKXTDSA-N 2 1 301.434 1.836 20 10 DDCDMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864793 711308513 /nfs/dbraw/zinc/30/85/13/711308513.db2.gz XAVMOFMCBPNHOJ-SJLPKXTDSA-N 2 1 301.434 1.836 20 10 DDCDMP Cc1cc(C[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1N(C)C ZINC000923411061 714347220 /nfs/dbraw/zinc/34/72/20/714347220.db2.gz MNYMFXFWBTVTGG-MRXNPFEDSA-N 2 1 314.437 1.558 20 10 DDCDMP C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326991142 861778814 /nfs/dbraw/zinc/77/88/14/861778814.db2.gz OQBYLOGBQDIRTQ-LSDHHAIUSA-N 2 1 320.456 1.760 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](F)CC3)cc2)CC1 ZINC001139408345 860390582 /nfs/dbraw/zinc/39/05/82/860390582.db2.gz KHUGJIJXPHXWPY-ZWKOTPCHSA-N 2 1 321.440 1.733 20 10 DDCDMP COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)cc1O ZINC001205781717 871808515 /nfs/dbraw/zinc/80/85/15/871808515.db2.gz YAIHURMDGHCXKH-JTQLQIEISA-N 2 1 302.321 1.522 20 10 DDCDMP COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)cc1O ZINC001205781717 871808531 /nfs/dbraw/zinc/80/85/31/871808531.db2.gz YAIHURMDGHCXKH-JTQLQIEISA-N 2 1 302.321 1.522 20 10 DDCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CSC[NH2+]2)[NH+](C)C)cc1 ZINC001343046720 872480652 /nfs/dbraw/zinc/48/06/52/872480652.db2.gz FUXKZRATKIEWHC-HUUCEWRRSA-N 2 1 322.478 1.134 20 10 DDCDMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001206767751 872562292 /nfs/dbraw/zinc/56/22/92/872562292.db2.gz DYGWJAQSKKAIRL-NVXWUHKLSA-N 3 1 302.466 1.655 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNC[C@@H]3CCCC[NH2+]3)cc2F)CC1 ZINC001345100658 873255925 /nfs/dbraw/zinc/25/59/25/873255925.db2.gz TZRYGWMRRAMLLC-INIZCTEOSA-N 2 1 320.456 1.809 20 10 DDCDMP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236932546 889431038 /nfs/dbraw/zinc/43/10/38/889431038.db2.gz RNYNIPJVNROMBT-CZUORRHYSA-N 2 1 307.413 1.533 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC001236938769 889433175 /nfs/dbraw/zinc/43/31/75/889433175.db2.gz MKXVNGAUHBDVEV-QGZVFWFLSA-N 2 1 320.456 1.713 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237406327 889620546 /nfs/dbraw/zinc/62/05/46/889620546.db2.gz UAPOLBSCCDOCDS-HKUYNNGSSA-N 3 1 314.477 1.670 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237406327 889620555 /nfs/dbraw/zinc/62/05/55/889620555.db2.gz UAPOLBSCCDOCDS-HKUYNNGSSA-N 2 1 314.477 1.670 20 10 DDCDMP C[N@@H+](Cc1ccccc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377632555 418711651 /nfs/dbraw/zinc/71/16/51/418711651.db2.gz SXFNSZQOYDSFOT-KRWDZBQOSA-N 2 1 303.450 1.993 20 10 DDCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ncnn1C ZINC000788972380 699352058 /nfs/dbraw/zinc/35/20/58/699352058.db2.gz ZXVZCZVCBXXJQY-AWEZNQCLSA-N 2 1 314.437 1.418 20 10 DDCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]21 ZINC000768463652 701179570 /nfs/dbraw/zinc/17/95/70/701179570.db2.gz VLDKFMNDIAHZRZ-SRCQZFHVSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]21 ZINC000768463652 701179571 /nfs/dbraw/zinc/17/95/71/701179571.db2.gz VLDKFMNDIAHZRZ-SRCQZFHVSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]21 ZINC000768463652 701179572 /nfs/dbraw/zinc/17/95/72/701179572.db2.gz VLDKFMNDIAHZRZ-SRCQZFHVSA-N 2 1 318.417 1.734 20 10 DDCDMP COc1c(O)c(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841056409 702328059 /nfs/dbraw/zinc/32/80/59/702328059.db2.gz GPTCUHQYAFXVRM-UHFFFAOYSA-N 2 1 309.366 1.788 20 10 DDCDMP CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000814174119 702490115 /nfs/dbraw/zinc/49/01/15/702490115.db2.gz YYBXNYLVJPYONG-HKUYNNGSSA-N 2 1 314.477 1.574 20 10 DDCDMP C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000814174119 702490119 /nfs/dbraw/zinc/49/01/19/702490119.db2.gz YYBXNYLVJPYONG-HKUYNNGSSA-N 2 1 314.477 1.574 20 10 DDCDMP C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000814174119 702490121 /nfs/dbraw/zinc/49/01/21/702490121.db2.gz YYBXNYLVJPYONG-HKUYNNGSSA-N 2 1 314.477 1.574 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843057169 702809622 /nfs/dbraw/zinc/80/96/22/702809622.db2.gz GGJWSROTKLISLC-WBVHZDCISA-N 3 1 302.466 1.608 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843057169 702809625 /nfs/dbraw/zinc/80/96/25/702809625.db2.gz GGJWSROTKLISLC-WBVHZDCISA-N 2 1 302.466 1.608 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843057169 702809627 /nfs/dbraw/zinc/80/96/27/702809627.db2.gz GGJWSROTKLISLC-WBVHZDCISA-N 2 1 302.466 1.608 20 10 DDCDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000873227265 707776886 /nfs/dbraw/zinc/77/68/86/707776886.db2.gz DYDJIEWQEDFVPV-FUHWJXTLSA-N 2 1 301.434 1.565 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000903978807 711355295 /nfs/dbraw/zinc/35/52/95/711355295.db2.gz MWNJOTJXOIIEFP-GHJWDPDVSA-N 2 1 324.808 1.758 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H](O)C3CC3)cc2F)CC1 ZINC001119987247 781710211 /nfs/dbraw/zinc/71/02/11/781710211.db2.gz NNSOACYJSUFOIK-GOSISDBHSA-N 2 1 321.440 1.828 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001275418377 853096097 /nfs/dbraw/zinc/09/60/97/853096097.db2.gz CDJMVYZSQQCKRS-GASCZTMLSA-N 2 1 305.422 1.308 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](CO)C[C@H](F)C3)cc2)CC1 ZINC001139408648 860390888 /nfs/dbraw/zinc/39/08/88/860390888.db2.gz OGUQRCQIDOINLR-SJORKVTESA-N 2 1 321.440 1.591 20 10 DDCDMP C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332354163 865783657 /nfs/dbraw/zinc/78/36/57/865783657.db2.gz XVZFELVLZOEJDO-CJNGLKHVSA-N 2 1 307.413 1.702 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CO)CC3)cc2F)CC1 ZINC001323282964 866496292 /nfs/dbraw/zinc/49/62/92/866496292.db2.gz SPGRWISIOCCZQM-UHFFFAOYSA-N 2 1 321.440 1.782 20 10 DDCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205912960 871922794 /nfs/dbraw/zinc/92/27/94/871922794.db2.gz FKIREZCQJZRGLV-GJZGRUSLSA-N 3 1 318.465 1.361 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002832 871985006 /nfs/dbraw/zinc/98/50/06/871985006.db2.gz BPLIZNMKNKRTNG-WMZOPIPTSA-N 3 1 316.493 1.903 20 10 DDCDMP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775742631 698028077 /nfs/dbraw/zinc/02/80/77/698028077.db2.gz VTYQHIXOAIOFSL-QAPCUYQASA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775742631 698028080 /nfs/dbraw/zinc/02/80/80/698028080.db2.gz VTYQHIXOAIOFSL-QAPCUYQASA-N 2 1 319.449 1.020 20 10 DDCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000702627329 699231471 /nfs/dbraw/zinc/23/14/71/699231471.db2.gz YFBNRVBCXPYDHB-ZDUSSCGKSA-N 2 1 315.211 1.311 20 10 DDCDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000809697707 701681538 /nfs/dbraw/zinc/68/15/38/701681538.db2.gz MWZFUBNPAGSVAC-KRWDZBQOSA-N 2 1 316.493 1.964 20 10 DDCDMP CCN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000809697707 701681540 /nfs/dbraw/zinc/68/15/40/701681540.db2.gz MWZFUBNPAGSVAC-KRWDZBQOSA-N 2 1 316.493 1.964 20 10 DDCDMP CCN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000809697707 701681543 /nfs/dbraw/zinc/68/15/43/701681543.db2.gz MWZFUBNPAGSVAC-KRWDZBQOSA-N 2 1 316.493 1.964 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000843125217 702825145 /nfs/dbraw/zinc/82/51/45/702825145.db2.gz OGKTZGFLKMVGOH-CQSZACIVSA-N 2 1 306.406 1.588 20 10 DDCDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162644 702980488 /nfs/dbraw/zinc/98/04/88/702980488.db2.gz KLIISUKZRFLBOJ-IAGOWNOFSA-N 2 1 318.465 1.743 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000844224372 702996890 /nfs/dbraw/zinc/99/68/90/702996890.db2.gz QFYVIVYSRHOPSD-GOSISDBHSA-N 2 1 318.465 1.382 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000844224372 702996891 /nfs/dbraw/zinc/99/68/91/702996891.db2.gz QFYVIVYSRHOPSD-GOSISDBHSA-N 2 1 318.465 1.382 20 10 DDCDMP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000854232065 704369432 /nfs/dbraw/zinc/36/94/32/704369432.db2.gz KPHHAMPAFNDLRM-GFCCVEGCSA-N 2 1 315.421 1.948 20 10 DDCDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877137933 705993752 /nfs/dbraw/zinc/99/37/52/705993752.db2.gz FWQRSMOVZGOAES-UHFFFAOYSA-N 2 1 315.461 1.999 20 10 DDCDMP COc1ccc(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228572 707778017 /nfs/dbraw/zinc/77/80/17/707778017.db2.gz UFKXMPFDBPILMC-CMPLNLGQSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228572 707778021 /nfs/dbraw/zinc/77/80/21/707778021.db2.gz UFKXMPFDBPILMC-CMPLNLGQSA-N 2 1 304.312 1.970 20 10 DDCDMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C[NH3+] ZINC000923496110 714378108 /nfs/dbraw/zinc/37/81/08/714378108.db2.gz GRMPCIZRDCZEMW-ZBFHGGJFSA-N 2 1 318.465 1.286 20 10 DDCDMP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000925763269 714930270 /nfs/dbraw/zinc/93/02/70/714930270.db2.gz RLTUJRLVOKIRJX-QGZVFWFLSA-N 2 1 320.481 1.282 20 10 DDCDMP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000925776728 714933401 /nfs/dbraw/zinc/93/34/01/714933401.db2.gz IGLGICAPCRUUAA-DLBZAZTESA-N 2 1 316.449 1.358 20 10 DDCDMP Cn1cncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118924389 781273777 /nfs/dbraw/zinc/27/37/77/781273777.db2.gz POYJVMZFAVIYSG-UHFFFAOYSA-N 2 1 317.412 1.601 20 10 DDCDMP COc1ccc(O)c(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c1 ZINC001275278179 852949183 /nfs/dbraw/zinc/94/91/83/852949183.db2.gz ALXUDVQPKNWWOP-UHFFFAOYSA-N 2 1 305.422 1.223 20 10 DDCDMP Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c(O)c1 ZINC001276168507 854870047 /nfs/dbraw/zinc/87/00/47/854870047.db2.gz FBPBYICOXMEMLG-AEFFLSMTSA-N 2 1 319.449 1.147 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@@H](O)C3)cc2)CC1 ZINC001140302208 860615025 /nfs/dbraw/zinc/61/50/25/860615025.db2.gz NCKQAYQTTHXOJX-MSOLQXFVSA-N 2 1 321.440 1.733 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C)[NH2+]1 ZINC001326199422 861184179 /nfs/dbraw/zinc/18/41/79/861184179.db2.gz JHKVWTXJICGINX-HUUCEWRRSA-N 2 1 320.456 1.760 20 10 DDCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001157434590 863819431 /nfs/dbraw/zinc/81/94/31/863819431.db2.gz OSYVKDXWFKSLDA-SWLSCSKDSA-N 2 1 305.422 1.425 20 10 DDCDMP C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320060131 866450963 /nfs/dbraw/zinc/45/09/63/866450963.db2.gz LSQMKSNRGFFLKG-GDBMZVCRSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320060131 866450966 /nfs/dbraw/zinc/45/09/66/866450966.db2.gz LSQMKSNRGFFLKG-GDBMZVCRSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C4(CC4)C3)cc2F)CC1 ZINC001320486870 866773728 /nfs/dbraw/zinc/77/37/28/866773728.db2.gz OTGBAUZTRMNHQR-KRWDZBQOSA-N 2 1 319.424 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C4(CC4)C3)cc2F)CC1 ZINC001320486870 866773735 /nfs/dbraw/zinc/77/37/35/866773735.db2.gz OTGBAUZTRMNHQR-KRWDZBQOSA-N 2 1 319.424 1.534 20 10 DDCDMP CC[C@H](CO)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324377833 867243768 /nfs/dbraw/zinc/24/37/68/867243768.db2.gz IJWCNCWTDBRASM-OAHLLOKOSA-N 2 1 309.429 1.780 20 10 DDCDMP CC[C@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324377833 867243786 /nfs/dbraw/zinc/24/37/86/867243786.db2.gz IJWCNCWTDBRASM-OAHLLOKOSA-N 2 1 309.429 1.780 20 10 DDCDMP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001203937437 870843700 /nfs/dbraw/zinc/84/37/00/870843700.db2.gz QRSGSSRYSKZWIA-MRXNPFEDSA-N 2 1 318.465 1.395 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001203937437 870843725 /nfs/dbraw/zinc/84/37/25/870843725.db2.gz QRSGSSRYSKZWIA-MRXNPFEDSA-N 2 1 318.465 1.395 20 10 DDCDMP Oc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(O)c1 ZINC001204280672 871036725 /nfs/dbraw/zinc/03/67/25/871036725.db2.gz LWRPBWVVALDEJC-UHFFFAOYSA-N 2 1 305.422 1.311 20 10 DDCDMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204947133 871296188 /nfs/dbraw/zinc/29/61/88/871296188.db2.gz VVLPUVMJKXUKGN-QGZVFWFLSA-N 3 1 304.438 1.115 20 10 DDCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204947133 871296203 /nfs/dbraw/zinc/29/62/03/871296203.db2.gz VVLPUVMJKXUKGN-QGZVFWFLSA-N 3 1 304.438 1.115 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(OC)c1 ZINC001205229209 871446827 /nfs/dbraw/zinc/44/68/27/871446827.db2.gz MCRFPYUPRBFJJP-INIZCTEOSA-N 2 1 310.394 1.085 20 10 DDCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205240673 871454201 /nfs/dbraw/zinc/45/42/01/871454201.db2.gz MSHHFTVBFUWWQK-HNNXBMFYSA-N 2 1 314.813 1.730 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC[C@@H]1C[NH3+] ZINC001206021710 872001121 /nfs/dbraw/zinc/00/11/21/872001121.db2.gz ATLGBFIHKSWXIZ-UONOGXRCSA-N 3 1 319.449 1.681 20 10 DDCDMP C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CCC[C@@H]1C[NH3+] ZINC001206021710 872001140 /nfs/dbraw/zinc/00/11/40/872001140.db2.gz ATLGBFIHKSWXIZ-UONOGXRCSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CCC[C@@H]1C[NH3+] ZINC001206021710 872001156 /nfs/dbraw/zinc/00/11/56/872001156.db2.gz ATLGBFIHKSWXIZ-UONOGXRCSA-N 2 1 319.449 1.681 20 10 DDCDMP N[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001206166751 872104180 /nfs/dbraw/zinc/10/41/80/872104180.db2.gz UOSPTHCQMMMRLX-IAGOWNOFSA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001206166751 872104189 /nfs/dbraw/zinc/10/41/89/872104189.db2.gz UOSPTHCQMMMRLX-IAGOWNOFSA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001206166751 872104197 /nfs/dbraw/zinc/10/41/97/872104197.db2.gz UOSPTHCQMMMRLX-IAGOWNOFSA-N 2 1 307.413 1.784 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1F ZINC001206166751 872104205 /nfs/dbraw/zinc/10/42/05/872104205.db2.gz UOSPTHCQMMMRLX-IAGOWNOFSA-N 2 1 307.413 1.784 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N)[C@H](F)CC3)cc2)CC1 ZINC001206173998 872111211 /nfs/dbraw/zinc/11/12/11/872111211.db2.gz LCORGOOVXFOCLB-QZTJIDSGSA-N 2 1 320.456 1.700 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206623880 872483110 /nfs/dbraw/zinc/48/31/10/872483110.db2.gz QDDHYAVCXICMEE-SFHVURJKSA-N 2 1 316.493 1.999 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206623880 872483113 /nfs/dbraw/zinc/48/31/13/872483113.db2.gz QDDHYAVCXICMEE-SFHVURJKSA-N 2 1 316.493 1.999 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206623880 872483117 /nfs/dbraw/zinc/48/31/17/872483117.db2.gz QDDHYAVCXICMEE-SFHVURJKSA-N 2 1 316.493 1.999 20 10 DDCDMP C[N@H+]1CCC2(CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)C1 ZINC001276876262 880891013 /nfs/dbraw/zinc/89/10/13/880891013.db2.gz UYUIVNZRMVFIOE-UHFFFAOYSA-N 2 1 314.477 1.576 20 10 DDCDMP Cc1c(C[N@@H+](C)CCN2CC[NH2+]CC2)c2ccccc2n1C ZINC001236083892 889102214 /nfs/dbraw/zinc/10/22/14/889102214.db2.gz XBYZDFTXSAKQHQ-UHFFFAOYSA-N 2 1 300.450 1.824 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(OC)c1 ZINC001236319961 889183071 /nfs/dbraw/zinc/18/30/71/889183071.db2.gz ITPITWSKHZKATJ-BETUJISGSA-N 2 1 306.406 1.841 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001249214336 893872793 /nfs/dbraw/zinc/87/27/93/893872793.db2.gz KCZATNPYWJHMCV-GOSISDBHSA-N 2 1 318.417 1.635 20 10 DDCDMP COC(=O)Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001249214336 893872807 /nfs/dbraw/zinc/87/28/07/893872807.db2.gz KCZATNPYWJHMCV-GOSISDBHSA-N 2 1 318.417 1.635 20 10 DDCDMP COC(=O)Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001249214336 893872823 /nfs/dbraw/zinc/87/28/23/893872823.db2.gz KCZATNPYWJHMCV-GOSISDBHSA-N 2 1 318.417 1.635 20 10 DDCDMP C[C@H](O)[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000840975905 702299368 /nfs/dbraw/zinc/29/93/68/702299368.db2.gz AKAISRHVNGSGDL-MAUKXSAKSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000840975905 702299373 /nfs/dbraw/zinc/29/93/73/702299373.db2.gz AKAISRHVNGSGDL-MAUKXSAKSA-N 2 1 319.449 1.020 20 10 DDCDMP Cc1cccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841100134 702346314 /nfs/dbraw/zinc/34/63/14/702346314.db2.gz VODUPEMHVFZLJP-HNNXBMFYSA-N 2 1 301.394 1.588 20 10 DDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843044620 702807172 /nfs/dbraw/zinc/80/71/72/702807172.db2.gz LZZLXYAEZLUXTD-SFHVURJKSA-N 3 1 316.493 1.870 20 10 DDCDMP C[NH2+]C[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843044620 702807175 /nfs/dbraw/zinc/80/71/75/702807175.db2.gz LZZLXYAEZLUXTD-SFHVURJKSA-N 2 1 316.493 1.870 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000843117306 702822534 /nfs/dbraw/zinc/82/25/34/702822534.db2.gz OILJDVIAPUTQEB-GOSISDBHSA-N 3 1 302.466 1.609 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000843128890 702825388 /nfs/dbraw/zinc/82/53/88/702825388.db2.gz YNBRFEGXYMGXEV-PKOBYXMFSA-N 3 1 314.477 1.622 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000843128890 702825389 /nfs/dbraw/zinc/82/53/89/702825389.db2.gz YNBRFEGXYMGXEV-PKOBYXMFSA-N 2 1 314.477 1.622 20 10 DDCDMP C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825315578 705643954 /nfs/dbraw/zinc/64/39/54/705643954.db2.gz DJHQPRFTZPWURC-QAPCUYQASA-N 2 1 303.450 1.641 20 10 DDCDMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000832284687 706884389 /nfs/dbraw/zinc/88/43/89/706884389.db2.gz MDFSLXRGBDZIRF-DAXOMENPSA-N 2 1 304.438 1.209 20 10 DDCDMP COc1cc(C)cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1O ZINC000894470903 711139151 /nfs/dbraw/zinc/13/91/51/711139151.db2.gz XKKRAFKDORHGCG-UHFFFAOYSA-N 2 1 308.422 1.646 20 10 DDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925810744 714941499 /nfs/dbraw/zinc/94/14/99/714941499.db2.gz FVIPTOUENUMIRF-GFCCVEGCSA-N 2 1 321.421 1.253 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCN(C)CC3)cc2)CC1 ZINC001140300855 860614830 /nfs/dbraw/zinc/61/48/30/860614830.db2.gz VLMXSIUBZABDJU-UHFFFAOYSA-N 2 1 316.493 1.966 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN3CCC[N@H+](C)CC3)cc2)CC1 ZINC001140300855 860614834 /nfs/dbraw/zinc/61/48/34/860614834.db2.gz VLMXSIUBZABDJU-UHFFFAOYSA-N 2 1 316.493 1.966 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN3CCC[N@@H+](C)CC3)cc2)CC1 ZINC001140300855 860614837 /nfs/dbraw/zinc/61/48/37/860614837.db2.gz VLMXSIUBZABDJU-UHFFFAOYSA-N 2 1 316.493 1.966 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)CC1 ZINC001205140276 871391779 /nfs/dbraw/zinc/39/17/79/871391779.db2.gz FLTIMAZXHMQUEN-FUHWJXTLSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1C[NH3+] ZINC001205304256 871489311 /nfs/dbraw/zinc/48/93/11/871489311.db2.gz NJLCYXNHKGZLJN-DOTOQJQBSA-N 3 1 302.466 1.513 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)C[NH2+]CCO2 ZINC001235265209 888518077 /nfs/dbraw/zinc/51/80/77/888518077.db2.gz BUYVJYHSGOHPCX-SWLSCSKDSA-N 3 1 303.406 1.058 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)C[NH2+]CCO2 ZINC001235265209 888518087 /nfs/dbraw/zinc/51/80/87/888518087.db2.gz BUYVJYHSGOHPCX-SWLSCSKDSA-N 3 1 303.406 1.058 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C[NH2+]CCO2 ZINC001236321975 889186667 /nfs/dbraw/zinc/18/66/67/889186667.db2.gz YUPOAQCUXYNRHI-OKILXGFUSA-N 2 1 317.433 1.306 20 10 DDCDMP COc1cc(C)c(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC001236811604 889368507 /nfs/dbraw/zinc/36/85/07/889368507.db2.gz SMPZAVMHZXWKDG-UHFFFAOYSA-N 2 1 307.438 1.388 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001249173792 893855798 /nfs/dbraw/zinc/85/57/98/893855798.db2.gz WPPGLCYACUOWIB-UHFFFAOYSA-N 2 1 306.406 1.634 20 10 DDCDMP COC(=O)Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001249173792 893855818 /nfs/dbraw/zinc/85/58/18/893855818.db2.gz WPPGLCYACUOWIB-UHFFFAOYSA-N 2 1 306.406 1.634 20 10 DDCDMP Oc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC001250993372 894552035 /nfs/dbraw/zinc/55/20/35/894552035.db2.gz UOWUYMVESMCJMH-AWEZNQCLSA-N 2 1 318.339 1.869 20 10 DDCDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000277710995 408997133 /nfs/dbraw/zinc/99/71/33/408997133.db2.gz IQICOYLSESOQKF-ZDUSSCGKSA-N 2 1 322.405 1.711 20 10 DDCDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000277710995 408997135 /nfs/dbraw/zinc/99/71/35/408997135.db2.gz IQICOYLSESOQKF-ZDUSSCGKSA-N 2 1 322.405 1.711 20 10 DDCDMP COc1c(O)c(C[NH2+]CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000775013830 697954570 /nfs/dbraw/zinc/95/45/70/697954570.db2.gz QFIYHBQNQFVTSB-UHFFFAOYSA-N 2 1 309.366 1.740 20 10 DDCDMP C[C@@H]1COCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775707583 698024339 /nfs/dbraw/zinc/02/43/39/698024339.db2.gz WVUUZZLCRDKWKT-INIZCTEOSA-N 2 1 303.450 1.907 20 10 DDCDMP C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776521149 698112264 /nfs/dbraw/zinc/11/22/64/698112264.db2.gz LAYJWQOSNMQSAI-NYHFZMIOSA-N 2 1 323.506 1.637 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1CO ZINC000785984609 699115252 /nfs/dbraw/zinc/11/52/52/699115252.db2.gz OPWTUBLIMGMCFV-MAUKXSAKSA-N 2 1 303.450 1.641 20 10 DDCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762790194 700906997 /nfs/dbraw/zinc/90/69/97/700906997.db2.gz YDELKKINBKRVCX-UGSOOPFHSA-N 2 1 304.434 1.988 20 10 DDCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762790194 700906999 /nfs/dbraw/zinc/90/69/99/700906999.db2.gz YDELKKINBKRVCX-UGSOOPFHSA-N 2 1 304.434 1.988 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841031739 702316245 /nfs/dbraw/zinc/31/62/45/702316245.db2.gz WJSHGWIJBLBSLD-AEFFLSMTSA-N 2 1 302.466 1.655 20 10 DDCDMP CC[C@H]([NH3+])C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000841069892 702334979 /nfs/dbraw/zinc/33/49/79/702334979.db2.gz GXOWDDHQJGBUJJ-JTQLQIEISA-N 2 1 303.200 1.990 20 10 DDCDMP CN1C[C@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000814174121 702491288 /nfs/dbraw/zinc/49/12/88/702491288.db2.gz YYBXNYLVJPYONG-MJGOQNOKSA-N 2 1 314.477 1.574 20 10 DDCDMP C[N@@H+]1C[C@H]2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000814174121 702491294 /nfs/dbraw/zinc/49/12/94/702491294.db2.gz YYBXNYLVJPYONG-MJGOQNOKSA-N 2 1 314.477 1.574 20 10 DDCDMP C[N@H+]1C[C@H]2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000814174121 702491296 /nfs/dbraw/zinc/49/12/96/702491296.db2.gz YYBXNYLVJPYONG-MJGOQNOKSA-N 2 1 314.477 1.574 20 10 DDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843052946 702809153 /nfs/dbraw/zinc/80/91/53/702809153.db2.gz PTWKUXCQZQRQLO-QGZVFWFLSA-N 3 1 302.466 1.480 20 10 DDCDMP C[NH2+]C[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843052946 702809156 /nfs/dbraw/zinc/80/91/56/702809156.db2.gz PTWKUXCQZQRQLO-QGZVFWFLSA-N 2 1 302.466 1.480 20 10 DDCDMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843118026 702822478 /nfs/dbraw/zinc/82/24/78/702822478.db2.gz ZDSCDVKKZPRDLV-KRWDZBQOSA-N 2 1 307.413 1.833 20 10 DDCDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843118026 702822480 /nfs/dbraw/zinc/82/24/80/702822480.db2.gz ZDSCDVKKZPRDLV-KRWDZBQOSA-N 2 1 307.413 1.833 20 10 DDCDMP C[NH+](C)C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1C[NH+](C)C ZINC000870017826 703895245 /nfs/dbraw/zinc/89/52/45/703895245.db2.gz IADGSFKDIKEOPX-VXGBXAGGSA-N 2 1 311.451 1.265 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852708334 704103846 /nfs/dbraw/zinc/10/38/46/704103846.db2.gz XOICVOXPOJVZSU-SFHVURJKSA-N 2 1 303.450 1.784 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852708334 704103850 /nfs/dbraw/zinc/10/38/50/704103850.db2.gz XOICVOXPOJVZSU-SFHVURJKSA-N 2 1 303.450 1.784 20 10 DDCDMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000857229955 704566769 /nfs/dbraw/zinc/56/67/69/704566769.db2.gz LWKWCBKZXUTXKS-FUHWJXTLSA-N 2 1 301.434 1.836 20 10 DDCDMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000857229955 704566770 /nfs/dbraw/zinc/56/67/70/704566770.db2.gz LWKWCBKZXUTXKS-FUHWJXTLSA-N 2 1 301.434 1.836 20 10 DDCDMP COc1cccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1O ZINC000827892349 706083073 /nfs/dbraw/zinc/08/30/73/706083073.db2.gz WMUHKFFJHAEAFG-UHFFFAOYSA-N 2 1 302.378 1.457 20 10 DDCDMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882991428 707888384 /nfs/dbraw/zinc/88/83/84/707888384.db2.gz ZTWRSKPNPBYFTA-CQSZACIVSA-N 2 1 314.376 1.997 20 10 DDCDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882991428 707888387 /nfs/dbraw/zinc/88/83/87/707888387.db2.gz ZTWRSKPNPBYFTA-CQSZACIVSA-N 2 1 314.376 1.997 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000883443049 708003352 /nfs/dbraw/zinc/00/33/52/708003352.db2.gz YTPIBTSMUOLEGH-CABCVRRESA-N 2 1 304.438 1.084 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1OC ZINC000897621706 708398489 /nfs/dbraw/zinc/39/84/89/708398489.db2.gz OZIQYSONGWZRIY-SUMWQHHRSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1OC ZINC000897621706 708398494 /nfs/dbraw/zinc/39/84/94/708398494.db2.gz OZIQYSONGWZRIY-SUMWQHHRSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1cc(O)c(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1OC ZINC000897621706 708398495 /nfs/dbraw/zinc/39/84/95/708398495.db2.gz OZIQYSONGWZRIY-SUMWQHHRSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1cc(O)c(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1OC ZINC000897621706 708398498 /nfs/dbraw/zinc/39/84/98/708398498.db2.gz OZIQYSONGWZRIY-SUMWQHHRSA-N 2 1 306.406 1.793 20 10 DDCDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)c(O)c1 ZINC001275821453 853817281 /nfs/dbraw/zinc/81/72/81/853817281.db2.gz QSPFUHGSAWPBGY-MQVJKMGUSA-N 2 1 319.449 1.744 20 10 DDCDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001275821453 853817289 /nfs/dbraw/zinc/81/72/89/853817289.db2.gz QSPFUHGSAWPBGY-MQVJKMGUSA-N 2 1 319.449 1.744 20 10 DDCDMP COc1cc(CN2CC[N@H+]3CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139257093 860338744 /nfs/dbraw/zinc/33/87/44/860338744.db2.gz RCLNSNFAPZONIF-INIZCTEOSA-N 2 1 319.449 1.742 20 10 DDCDMP CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139411470 860390799 /nfs/dbraw/zinc/39/07/99/860390799.db2.gz NRAQWEGLTKKVDP-SFHVURJKSA-N 2 1 301.434 1.992 20 10 DDCDMP COC(C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)OC ZINC001139412835 860392307 /nfs/dbraw/zinc/39/23/07/860392307.db2.gz POPJDUNSNUDOIA-UHFFFAOYSA-N 2 1 307.438 1.489 20 10 DDCDMP C[N@H+]1CC[C@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]21 ZINC001139412351 860392602 /nfs/dbraw/zinc/39/26/02/860392602.db2.gz HXTGMZRFZDINJX-PKOBYXMFSA-N 2 1 314.477 1.574 20 10 DDCDMP CN1CC[C@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]21 ZINC001139412351 860392606 /nfs/dbraw/zinc/39/26/06/860392606.db2.gz HXTGMZRFZDINJX-PKOBYXMFSA-N 2 1 314.477 1.574 20 10 DDCDMP CN1CC[C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]21 ZINC001139412351 860392613 /nfs/dbraw/zinc/39/26/13/860392613.db2.gz HXTGMZRFZDINJX-PKOBYXMFSA-N 2 1 314.477 1.574 20 10 DDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(O)ccc1O ZINC001141160260 860799699 /nfs/dbraw/zinc/79/96/99/860799699.db2.gz SWWSYXSLBNYJBK-JKSUJKDBSA-N 2 1 305.422 1.308 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001335288926 868205723 /nfs/dbraw/zinc/20/57/23/868205723.db2.gz KHKZTHNZOABGAB-GDBMZVCRSA-N 2 1 320.456 1.604 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001335288926 868205738 /nfs/dbraw/zinc/20/57/38/868205738.db2.gz KHKZTHNZOABGAB-GDBMZVCRSA-N 3 1 320.456 1.604 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001335288926 868205756 /nfs/dbraw/zinc/20/57/56/868205756.db2.gz KHKZTHNZOABGAB-GDBMZVCRSA-N 3 1 320.456 1.604 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(O)c1 ZINC001205651663 871675841 /nfs/dbraw/zinc/67/58/41/871675841.db2.gz IBCYKWFBHZGANH-UKRRQHHQSA-N 2 1 320.433 1.915 20 10 DDCDMP CN(C)c1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(Cl)c1 ZINC001222502974 880519284 /nfs/dbraw/zinc/51/92/84/880519284.db2.gz YISOBNQMJQMUQU-IRXDYDNUSA-N 2 1 322.884 1.932 20 10 DDCDMP c1cc(N2CCCC2)ccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234981988 888295348 /nfs/dbraw/zinc/29/53/48/888295348.db2.gz NAMWUPAGIXZEFB-SFHVURJKSA-N 2 1 300.450 1.424 20 10 DDCDMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235245497 888498259 /nfs/dbraw/zinc/49/82/59/888498259.db2.gz PIWTWWWCRPLETN-SJLPKXTDSA-N 3 1 300.450 1.409 20 10 DDCDMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235245497 888498265 /nfs/dbraw/zinc/49/82/65/888498265.db2.gz PIWTWWWCRPLETN-SJLPKXTDSA-N 3 1 300.450 1.409 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235996277 889053390 /nfs/dbraw/zinc/05/33/90/889053390.db2.gz YLYOWNGYVHHMAZ-MVVMVCHASA-N 2 1 319.449 1.644 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(CO)C3)c(F)c2)CC1 ZINC001236931233 889428465 /nfs/dbraw/zinc/42/84/65/889428465.db2.gz HSIYYHTZBQKBGD-GOSISDBHSA-N 2 1 321.440 1.782 20 10 DDCDMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(O)c(OC)c1 ZINC001237673949 889797376 /nfs/dbraw/zinc/79/73/76/889797376.db2.gz XLFPOSSLFAFSGX-OCCSQVGLSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(O)c(OC)c1 ZINC001237673949 889797381 /nfs/dbraw/zinc/79/73/81/889797381.db2.gz XLFPOSSLFAFSGX-OCCSQVGLSA-N 2 1 306.406 1.793 20 10 DDCDMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(O)c(OC)c1 ZINC001237673949 889797388 /nfs/dbraw/zinc/79/73/88/889797388.db2.gz XLFPOSSLFAFSGX-OCCSQVGLSA-N 2 1 306.406 1.793 20 10 DDCDMP COC(=O)Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC001249208325 893868555 /nfs/dbraw/zinc/86/85/55/893868555.db2.gz RXRWNAXFCDWNJA-GASCZTMLSA-N 2 1 304.390 1.101 20 10 DDCDMP COC(=O)Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1 ZINC001249208325 893868570 /nfs/dbraw/zinc/86/85/70/893868570.db2.gz RXRWNAXFCDWNJA-GASCZTMLSA-N 2 1 304.390 1.101 20 10 DDCDMP COc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000289373232 409255709 /nfs/dbraw/zinc/25/57/09/409255709.db2.gz AZOJJTIHWFMQDS-UHFFFAOYSA-N 2 1 321.465 1.859 20 10 DDCDMP COc1ccc(N2CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC2)cc1 ZINC000305131515 698635730 /nfs/dbraw/zinc/63/57/30/698635730.db2.gz NDYRFQHKEJDQMN-MRXNPFEDSA-N 2 1 307.438 1.176 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](O)C1CC1 ZINC000809751825 701685851 /nfs/dbraw/zinc/68/58/51/701685851.db2.gz LPYVKMLTDIMAMR-GOSISDBHSA-N 2 1 303.450 1.641 20 10 DDCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768462588 701179872 /nfs/dbraw/zinc/17/98/72/701179872.db2.gz NMBJCBDMLKYXNB-XGWLTEMNSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768462588 701179875 /nfs/dbraw/zinc/17/98/75/701179875.db2.gz NMBJCBDMLKYXNB-XGWLTEMNSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768462588 701179878 /nfs/dbraw/zinc/17/98/78/701179878.db2.gz NMBJCBDMLKYXNB-XGWLTEMNSA-N 2 1 318.417 1.734 20 10 DDCDMP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876684946 705818568 /nfs/dbraw/zinc/81/85/68/705818568.db2.gz LHOUDEUFSAGMRP-UHFFFAOYSA-N 2 1 319.449 1.687 20 10 DDCDMP Oc1cc2c(cc1CN1CCC([N@H+]3CC[C@H](O)C3)CC1)OCO2 ZINC000827699093 706052194 /nfs/dbraw/zinc/05/21/94/706052194.db2.gz DYTUWNAXTPZJLM-AWEZNQCLSA-N 2 1 320.389 1.152 20 10 DDCDMP COc1ccc(O)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827857248 706077353 /nfs/dbraw/zinc/07/73/53/706077353.db2.gz ZOLSGNNMNNALCF-MRXNPFEDSA-N 2 1 308.422 1.943 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827857248 706077357 /nfs/dbraw/zinc/07/73/57/706077357.db2.gz ZOLSGNNMNNALCF-MRXNPFEDSA-N 2 1 308.422 1.943 20 10 DDCDMP Oc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903979983 711356684 /nfs/dbraw/zinc/35/66/84/711356684.db2.gz AWSPCQDWVLGSRZ-CALCHBBNSA-N 2 1 301.434 1.793 20 10 DDCDMP Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903979983 711356687 /nfs/dbraw/zinc/35/66/87/711356687.db2.gz AWSPCQDWVLGSRZ-CALCHBBNSA-N 2 1 301.434 1.793 20 10 DDCDMP Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903979983 711356691 /nfs/dbraw/zinc/35/66/91/711356691.db2.gz AWSPCQDWVLGSRZ-CALCHBBNSA-N 2 1 301.434 1.793 20 10 DDCDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(O)c1OC ZINC000895845356 711624023 /nfs/dbraw/zinc/62/40/23/711624023.db2.gz VIBODLHLKZKGPA-TZMCWYRMSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(O)c1OC ZINC000895845356 711624025 /nfs/dbraw/zinc/62/40/25/711624025.db2.gz VIBODLHLKZKGPA-TZMCWYRMSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1OC ZINC000895845356 711624027 /nfs/dbraw/zinc/62/40/27/711624027.db2.gz VIBODLHLKZKGPA-TZMCWYRMSA-N 2 1 306.406 1.935 20 10 DDCDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(O)c1OC ZINC000895845356 711624028 /nfs/dbraw/zinc/62/40/28/711624028.db2.gz VIBODLHLKZKGPA-TZMCWYRMSA-N 2 1 306.406 1.935 20 10 DDCDMP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000925763268 714930367 /nfs/dbraw/zinc/93/03/67/714930367.db2.gz RLTUJRLVOKIRJX-KRWDZBQOSA-N 2 1 320.481 1.282 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1C ZINC001133863995 770378585 /nfs/dbraw/zinc/37/85/85/770378585.db2.gz SRYBJTNCSRZFSA-GOEBONIOSA-N 2 1 319.449 1.407 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1(CO)CC1 ZINC001116706679 780546360 /nfs/dbraw/zinc/54/63/60/780546360.db2.gz MNDQUMNMWOEROQ-UHFFFAOYSA-N 2 1 321.440 1.782 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1(CO)CC1 ZINC001116706679 780546363 /nfs/dbraw/zinc/54/63/63/780546363.db2.gz MNDQUMNMWOEROQ-UHFFFAOYSA-N 2 1 321.440 1.782 20 10 DDCDMP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001275266960 852940614 /nfs/dbraw/zinc/94/06/14/852940614.db2.gz HHQBRGVZLFPJOA-UHFFFAOYSA-N 2 1 317.433 1.378 20 10 DDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001275313274 852973658 /nfs/dbraw/zinc/97/36/58/852973658.db2.gz FVANMNXFLYPNGL-DOTOQJQBSA-N 2 1 303.450 1.768 20 10 DDCDMP COc1cc(C[N@@H+](C)CCC(=O)N(C)C)cc(C[NH+](C)C)c1O ZINC001139258565 860338941 /nfs/dbraw/zinc/33/89/41/860338941.db2.gz SROZSIWXMAHALX-UHFFFAOYSA-N 2 1 323.437 1.373 20 10 DDCDMP [NH3+]C1CCN(c2cc[nH+]c(NCc3ccc(O)c(O)c3)n2)CC1 ZINC001158997894 865027358 /nfs/dbraw/zinc/02/73/58/865027358.db2.gz SUWNCTMCDCCNGJ-UHFFFAOYSA-N 2 1 315.377 1.427 20 10 DDCDMP COc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001203593440 870655056 /nfs/dbraw/zinc/65/50/56/870655056.db2.gz MSQNTTSERYLONB-JKSUJKDBSA-N 2 1 319.449 1.611 20 10 DDCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205912538 871923441 /nfs/dbraw/zinc/92/34/41/871923441.db2.gz AZSPGNBISRBUKP-CHWSQXEVSA-N 3 1 305.422 1.433 20 10 DDCDMP N[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1F ZINC001206175118 872109472 /nfs/dbraw/zinc/10/94/72/872109472.db2.gz RPYUCLDBJDESGZ-DLBZAZTESA-N 2 1 306.429 1.357 20 10 DDCDMP [NH3+][C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1F ZINC001206175118 872109487 /nfs/dbraw/zinc/10/94/87/872109487.db2.gz RPYUCLDBJDESGZ-DLBZAZTESA-N 2 1 306.429 1.357 20 10 DDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1F ZINC001206175118 872109500 /nfs/dbraw/zinc/10/95/00/872109500.db2.gz RPYUCLDBJDESGZ-DLBZAZTESA-N 3 1 306.429 1.357 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1F ZINC001206175118 872109520 /nfs/dbraw/zinc/10/95/20/872109520.db2.gz RPYUCLDBJDESGZ-DLBZAZTESA-N 3 1 306.429 1.357 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C[NH2+]1 ZINC001345957199 873570460 /nfs/dbraw/zinc/57/04/60/873570460.db2.gz UMYKDPXUHKRTHB-CABCVRRESA-N 2 1 320.456 1.760 20 10 DDCDMP C[C@H]1CC[C@H](NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[NH2+]1 ZINC001348437322 874556665 /nfs/dbraw/zinc/55/66/65/874556665.db2.gz VVJVAPOINPTZEV-HOCLYGCPSA-N 2 1 320.456 1.808 20 10 DDCDMP Cc1[nH+]c(N)ccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001220071673 878687162 /nfs/dbraw/zinc/68/71/62/878687162.db2.gz MWMWRXDSJNTCBD-CYBMUJFWSA-N 2 1 300.362 1.384 20 10 DDCDMP Oc1cc(Cl)c(F)cc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222510828 880526173 /nfs/dbraw/zinc/52/61/73/880526173.db2.gz GCJWXXXFSTVTHH-KBPBESRZSA-N 2 1 313.804 1.711 20 10 DDCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235108993 888412096 /nfs/dbraw/zinc/41/20/96/888412096.db2.gz CTUAXOHKLUJIKZ-SFHVURJKSA-N 3 1 316.449 1.130 20 10 DDCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235108993 888412113 /nfs/dbraw/zinc/41/21/13/888412113.db2.gz CTUAXOHKLUJIKZ-SFHVURJKSA-N 3 1 316.449 1.130 20 10 DDCDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc(N)cc3)C[C@H]1C2 ZINC001236028630 889064622 /nfs/dbraw/zinc/06/46/22/889064622.db2.gz WFVFSQPALPRWSG-VUNQQRPYSA-N 2 1 315.417 1.099 20 10 DDCDMP CCC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835896 889378142 /nfs/dbraw/zinc/37/81/42/889378142.db2.gz QLNVXKASNZHYEQ-SFHVURJKSA-N 3 1 316.493 1.918 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246173901 892461098 /nfs/dbraw/zinc/46/10/98/892461098.db2.gz NTMFJKBBJYZVQY-BCDXTJNWSA-N 2 1 314.477 1.859 20 10 DDCDMP C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817413518 702374247 /nfs/dbraw/zinc/37/42/47/702374247.db2.gz YRYSLKUDHKGTRK-AEFFLSMTSA-N 2 1 317.477 1.889 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)CC1 ZINC000817865904 702504835 /nfs/dbraw/zinc/50/48/35/702504835.db2.gz OMMCIVCEEFHGKC-UHFFFAOYSA-N 3 1 314.477 1.766 20 10 DDCDMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2O)C1)N1CC[NH2+]CC1 ZINC000843046766 702807625 /nfs/dbraw/zinc/80/76/25/702807625.db2.gz BHWBXUNWKMCDSN-OAHLLOKOSA-N 2 1 303.406 1.036 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000843123084 702824261 /nfs/dbraw/zinc/82/42/61/702824261.db2.gz ZDRIWZNNRHTLLN-INIZCTEOSA-N 2 1 319.449 1.829 20 10 DDCDMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843431321 702880417 /nfs/dbraw/zinc/88/04/17/702880417.db2.gz BJCULQSXJABKAA-UHFFFAOYSA-N 2 1 306.406 1.697 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC(=O)[C@@H]4C3)cc2)CC1 ZINC000862546284 705730307 /nfs/dbraw/zinc/73/03/07/705730307.db2.gz KRXYZKXZGFDQQX-NVXWUHKLSA-N 2 1 315.417 1.043 20 10 DDCDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000876507126 705738728 /nfs/dbraw/zinc/73/87/28/705738728.db2.gz WBYKFQAQLHHNSF-GVDBMIGSSA-N 2 1 318.465 1.599 20 10 DDCDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666713 710916305 /nfs/dbraw/zinc/91/63/05/710916305.db2.gz LACVIEJWWLUIHR-DLBZAZTESA-N 2 1 318.465 1.741 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](C(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139259271 757205034 /nfs/dbraw/zinc/20/50/34/757205034.db2.gz OYXZPEBOMBVSJR-CQSZACIVSA-N 2 1 306.406 1.873 20 10 DDCDMP Oc1ccc(CNc2[nH+]cccc2N2CC[NH2+]CC2)cc1O ZINC001169990493 763518525 /nfs/dbraw/zinc/51/85/25/763518525.db2.gz HJQIQIDPQOZRBE-UHFFFAOYSA-N 2 1 300.362 1.515 20 10 DDCDMP CCOC(=O)CC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258572 860338649 /nfs/dbraw/zinc/33/86/49/860338649.db2.gz SUKZAZLEXIUWAO-UHFFFAOYSA-N 2 1 324.421 1.847 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@@H](F)CC3)cc2)CC1 ZINC001139408343 860391261 /nfs/dbraw/zinc/39/12/61/860391261.db2.gz KHUGJIJXPHXWPY-ROUUACIJSA-N 2 1 321.440 1.733 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC001329428586 863659554 /nfs/dbraw/zinc/65/95/54/863659554.db2.gz SVWZBFCOQBUZJA-OAHLLOKOSA-N 2 1 306.429 1.371 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222095086 880245804 /nfs/dbraw/zinc/24/58/04/880245804.db2.gz OHIMDOMSHKDPCW-UHFFFAOYSA-N 2 1 322.884 1.933 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)CC1CC[NH2+]CC1 ZINC001235433032 888637867 /nfs/dbraw/zinc/63/78/67/888637867.db2.gz DZBWEDCUYPLAEL-UHFFFAOYSA-N 3 1 318.465 1.233 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237414989 889624162 /nfs/dbraw/zinc/62/41/62/889624162.db2.gz OAEGWFNEXDDVGO-IUODEOHRSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237414989 889624174 /nfs/dbraw/zinc/62/41/74/889624174.db2.gz OAEGWFNEXDDVGO-IUODEOHRSA-N 2 1 306.406 1.983 20 10 DDCDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1O ZINC000783509335 698845548 /nfs/dbraw/zinc/84/55/48/698845548.db2.gz SOVHTLGPEPHEAJ-KGLIPLIRSA-N 2 1 305.422 1.630 20 10 DDCDMP CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1F ZINC000762568809 700898566 /nfs/dbraw/zinc/89/85/66/700898566.db2.gz NTFFSPPEUBBSPE-QGZVFWFLSA-N 2 1 309.429 1.828 20 10 DDCDMP CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1F ZINC000762568809 700898567 /nfs/dbraw/zinc/89/85/67/700898567.db2.gz NTFFSPPEUBBSPE-QGZVFWFLSA-N 2 1 309.429 1.828 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC[NH2+]CC1 ZINC000843046355 702807414 /nfs/dbraw/zinc/80/74/14/702807414.db2.gz SBILYAMOQOVAEA-UHFFFAOYSA-N 2 1 307.413 1.846 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000843059236 702809853 /nfs/dbraw/zinc/80/98/53/702809853.db2.gz HKLOWQSFAKCMHN-UBHSHLNASA-N 2 1 306.406 1.969 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843113486 702821456 /nfs/dbraw/zinc/82/14/56/702821456.db2.gz VCTHMNZJBWVJBS-NSHDSACASA-N 2 1 309.366 1.870 20 10 DDCDMP COc1c(O)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843113486 702821458 /nfs/dbraw/zinc/82/14/58/702821458.db2.gz VCTHMNZJBWVJBS-NSHDSACASA-N 2 1 309.366 1.870 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844222608 702996134 /nfs/dbraw/zinc/99/61/34/702996134.db2.gz IXWBHBXSKGWNTR-ZFWWWQNUSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844222608 702996136 /nfs/dbraw/zinc/99/61/36/702996136.db2.gz IXWBHBXSKGWNTR-ZFWWWQNUSA-N 2 1 304.438 1.038 20 10 DDCDMP CCN(C)C[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391878 704402751 /nfs/dbraw/zinc/40/27/51/704402751.db2.gz RTGBHFBPIZCVIX-IAGOWNOFSA-N 2 1 322.449 1.686 20 10 DDCDMP CCN(C)C[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391878 704402752 /nfs/dbraw/zinc/40/27/52/704402752.db2.gz RTGBHFBPIZCVIX-IAGOWNOFSA-N 2 1 322.449 1.686 20 10 DDCDMP Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(O)c1 ZINC000876715349 705835315 /nfs/dbraw/zinc/83/53/15/705835315.db2.gz MLLJMHRFVINELQ-QGZVFWFLSA-N 2 1 303.450 1.912 20 10 DDCDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876991761 705951141 /nfs/dbraw/zinc/95/11/41/705951141.db2.gz UKIAPANVQHEKPY-UHFFFAOYSA-N 2 1 314.433 1.942 20 10 DDCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C(F)(F)F ZINC000873228637 707778168 /nfs/dbraw/zinc/77/81/68/707778168.db2.gz VDEFPFIZXUXFDD-NXEZZACHSA-N 2 1 318.295 1.690 20 10 DDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C(F)(F)F ZINC000873228637 707778172 /nfs/dbraw/zinc/77/81/72/707778172.db2.gz VDEFPFIZXUXFDD-NXEZZACHSA-N 2 1 318.295 1.690 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000903979049 711356960 /nfs/dbraw/zinc/35/69/60/711356960.db2.gz TYUPRXHWIMTZJU-DAYGRLMNSA-N 2 1 317.433 1.465 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001124877148 748588705 /nfs/dbraw/zinc/58/87/05/748588705.db2.gz COMNVYZUNUQZFS-OAHLLOKOSA-N 2 1 305.422 1.304 20 10 DDCDMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001169513459 762472869 /nfs/dbraw/zinc/47/28/69/762472869.db2.gz MWMQTTKIVHJRBT-QGZVFWFLSA-N 2 1 317.433 1.567 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)(C)[NH3+] ZINC001118380184 781109864 /nfs/dbraw/zinc/10/98/64/781109864.db2.gz RSAOBTWVILHAKX-UHFFFAOYSA-N 2 1 308.445 1.747 20 10 DDCDMP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001155813533 862472746 /nfs/dbraw/zinc/47/27/46/862472746.db2.gz RHMMQKOGLASWRC-MRXNPFEDSA-N 2 1 319.449 1.694 20 10 DDCDMP COc1cc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139257557 860338759 /nfs/dbraw/zinc/33/87/59/860338759.db2.gz FDXQCRKRPFLGKK-OKILXGFUSA-N 2 1 321.465 1.987 20 10 DDCDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141032716 860768486 /nfs/dbraw/zinc/76/84/86/860768486.db2.gz NIWPWOAQEBCITJ-BETUJISGSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141032716 860768492 /nfs/dbraw/zinc/76/84/92/860768492.db2.gz NIWPWOAQEBCITJ-BETUJISGSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141032716 860768498 /nfs/dbraw/zinc/76/84/98/860768498.db2.gz NIWPWOAQEBCITJ-BETUJISGSA-N 2 1 306.406 1.793 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141032716 860768501 /nfs/dbraw/zinc/76/85/01/860768501.db2.gz NIWPWOAQEBCITJ-BETUJISGSA-N 2 1 306.406 1.793 20 10 DDCDMP C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320060149 866451215 /nfs/dbraw/zinc/45/12/15/866451215.db2.gz LSQMKSNRGFFLKG-ZBFHGGJFSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320060149 866451218 /nfs/dbraw/zinc/45/12/18/866451218.db2.gz LSQMKSNRGFFLKG-ZBFHGGJFSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](O)C3(C)C)cc2F)CC1 ZINC001320472790 866764029 /nfs/dbraw/zinc/76/40/29/866764029.db2.gz PCGZIUKPJWEPNI-IAGOWNOFSA-N 2 1 321.440 1.827 20 10 DDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001205117497 871373440 /nfs/dbraw/zinc/37/34/40/871373440.db2.gz PKKLESYVIVGHAM-HNNXBMFYSA-N 3 1 304.438 1.115 20 10 DDCDMP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222259662 880362986 /nfs/dbraw/zinc/36/29/86/880362986.db2.gz WKJWBBAGLWJDPR-GOSISDBHSA-N 2 1 318.417 1.826 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222259662 880362994 /nfs/dbraw/zinc/36/29/94/880362994.db2.gz WKJWBBAGLWJDPR-GOSISDBHSA-N 2 1 318.417 1.826 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235271813 888519262 /nfs/dbraw/zinc/51/92/62/888519262.db2.gz PCMAWHOUPRZXBV-AEFFLSMTSA-N 3 1 300.450 1.280 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235271813 888519274 /nfs/dbraw/zinc/51/92/74/888519274.db2.gz PCMAWHOUPRZXBV-AEFFLSMTSA-N 2 1 300.450 1.280 20 10 DDCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)CC1 ZINC000180068944 521692967 /nfs/dbraw/zinc/69/29/67/521692967.db2.gz ICODWVLAJXKUDB-QGZVFWFLSA-N 2 1 303.450 1.912 20 10 DDCDMP COC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000775656392 698019737 /nfs/dbraw/zinc/01/97/37/698019737.db2.gz GMQOOCQZGAGCHC-UHFFFAOYSA-N 2 1 319.449 1.822 20 10 DDCDMP COC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000775656392 698019738 /nfs/dbraw/zinc/01/97/38/698019738.db2.gz GMQOOCQZGAGCHC-UHFFFAOYSA-N 2 1 319.449 1.822 20 10 DDCDMP COc1ccc(N2CCC([NH2+]C[C@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000762786864 700906640 /nfs/dbraw/zinc/90/66/40/700906640.db2.gz LKNIMQLYFZSNDS-GOSISDBHSA-N 2 1 319.449 1.320 20 10 DDCDMP COc1ccc(N2CCC([NH2+]C[C@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000762786864 700906641 /nfs/dbraw/zinc/90/66/41/700906641.db2.gz LKNIMQLYFZSNDS-GOSISDBHSA-N 2 1 319.449 1.320 20 10 DDCDMP COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1O ZINC000841077539 702337659 /nfs/dbraw/zinc/33/76/59/702337659.db2.gz CIODYZCIIRKXFL-HTQZYQBOSA-N 2 1 303.200 1.989 20 10 DDCDMP C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817413524 702373970 /nfs/dbraw/zinc/37/39/70/702373970.db2.gz YRYSLKUDHKGTRK-WMZOPIPTSA-N 2 1 317.477 1.889 20 10 DDCDMP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000817889571 702509875 /nfs/dbraw/zinc/50/98/75/702509875.db2.gz PMOJIIXFBMDIOD-OIISXLGYSA-N 2 1 316.449 1.358 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000843119760 702823498 /nfs/dbraw/zinc/82/34/98/702823498.db2.gz IQAZNMFFNBXVQF-UHFFFAOYSA-N 2 1 321.377 1.885 20 10 DDCDMP COc1c(O)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000843119760 702823501 /nfs/dbraw/zinc/82/35/01/702823501.db2.gz IQAZNMFFNBXVQF-UHFFFAOYSA-N 2 1 321.377 1.885 20 10 DDCDMP CCc1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000848894015 703599352 /nfs/dbraw/zinc/59/93/52/703599352.db2.gz BKTAYNCRHMGGJL-MRXNPFEDSA-N 2 1 319.449 1.632 20 10 DDCDMP C[N@H+](C[C@@H](O)C[NH2+]CCCSc1nccs1)C1CC1 ZINC000819063397 704064047 /nfs/dbraw/zinc/06/40/47/704064047.db2.gz MMSWFKWAFNKKDN-LBPRGKRZSA-N 2 1 301.481 1.670 20 10 DDCDMP C[N@@H+](C[C@@H](O)C[NH2+]CCCSc1nccs1)C1CC1 ZINC000819063397 704064048 /nfs/dbraw/zinc/06/40/48/704064048.db2.gz MMSWFKWAFNKKDN-LBPRGKRZSA-N 2 1 301.481 1.670 20 10 DDCDMP Cc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c(O)c1 ZINC000876684736 705818480 /nfs/dbraw/zinc/81/84/80/705818480.db2.gz ILGYRGPOAMEIAX-UHFFFAOYSA-N 2 1 317.433 1.441 20 10 DDCDMP CCOc1ccc(O)c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000827891286 706082878 /nfs/dbraw/zinc/08/28/78/706082878.db2.gz GLNMKVWGTRGTEQ-UHFFFAOYSA-N 2 1 316.405 1.847 20 10 DDCDMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851631 707392284 /nfs/dbraw/zinc/39/22/84/707392284.db2.gz NXJWASNGUDMPLS-MRXNPFEDSA-N 2 1 316.449 1.006 20 10 DDCDMP C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116543832 780521178 /nfs/dbraw/zinc/52/11/78/780521178.db2.gz DGLJXPPIYLBCDS-ZIAGYGMSSA-N 2 1 309.429 1.827 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302340 860614737 /nfs/dbraw/zinc/61/47/37/860614737.db2.gz OJQSLTBDDMBCLL-YJBOKZPZSA-N 2 1 303.450 1.641 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@H]1O ZINC001321504961 867634638 /nfs/dbraw/zinc/63/46/38/867634638.db2.gz OLJJORFPAMNIEK-RDTXWAMCSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@H]1O ZINC001321504961 867634644 /nfs/dbraw/zinc/63/46/44/867634644.db2.gz OLJJORFPAMNIEK-RDTXWAMCSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H]1C[NH3+] ZINC001205150536 871396730 /nfs/dbraw/zinc/39/67/30/871396730.db2.gz DWWIUQXOTXDREY-GOEBONIOSA-N 3 1 320.456 1.604 20 10 DDCDMP C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H]1C[NH3+] ZINC001205150536 871396751 /nfs/dbraw/zinc/39/67/51/871396751.db2.gz DWWIUQXOTXDREY-GOEBONIOSA-N 2 1 320.456 1.604 20 10 DDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001205242151 871454078 /nfs/dbraw/zinc/45/40/78/871454078.db2.gz WZCUBFUAYCIQDE-CQSZACIVSA-N 2 1 300.786 1.427 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@H]1O ZINC001206491035 872375399 /nfs/dbraw/zinc/37/53/99/872375399.db2.gz FNFLNKYQVVDZNB-GXFFZTMASA-N 2 1 320.311 1.085 20 10 DDCDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349326102 875113462 /nfs/dbraw/zinc/11/34/62/875113462.db2.gz SZUSDBCJNGYVMH-KGLIPLIRSA-N 3 1 308.445 1.793 20 10 DDCDMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OC)cc3O)C[C@H]2C1 ZINC001236754805 889333640 /nfs/dbraw/zinc/33/36/40/889333640.db2.gz VBYVHHFBCZLOSY-ZIAGYGMSSA-N 2 1 306.406 1.793 20 10 DDCDMP CCOc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC001237041942 889478513 /nfs/dbraw/zinc/47/85/13/889478513.db2.gz ALFFUHTZHSXURC-UHFFFAOYSA-N 2 1 307.438 1.470 20 10 DDCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237059798 889486599 /nfs/dbraw/zinc/48/65/99/889486599.db2.gz VKDZYPMQBSBETR-GOSISDBHSA-N 3 1 302.466 1.657 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)cc2F)CC1 ZINC001255473939 896947939 /nfs/dbraw/zinc/94/79/39/896947939.db2.gz NDUOUCSWLQNBPR-QAPCUYQASA-N 2 1 319.424 1.392 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4C[C@@]4(CO)C3)cc2F)CC1 ZINC001255473939 896947946 /nfs/dbraw/zinc/94/79/46/896947946.db2.gz NDUOUCSWLQNBPR-QAPCUYQASA-N 2 1 319.424 1.392 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CC(O)C1 ZINC000785983766 699115402 /nfs/dbraw/zinc/11/54/02/699115402.db2.gz DNWYYNLERMZKBH-UHFFFAOYSA-N 2 1 303.450 1.641 20 10 DDCDMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000706677299 699244218 /nfs/dbraw/zinc/24/42/18/699244218.db2.gz ANWSLSHLNAPQAN-UHFFFAOYSA-N 2 1 302.802 1.722 20 10 DDCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000756549460 700627121 /nfs/dbraw/zinc/62/71/21/700627121.db2.gz NRPIENMNNWFPPB-CABCVRRESA-N 2 1 319.449 1.939 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000841030156 702316386 /nfs/dbraw/zinc/31/63/86/702316386.db2.gz LAZVDNZYSMACAL-JWTNVVGKSA-N 2 1 314.477 1.811 20 10 DDCDMP C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000817942793 702531217 /nfs/dbraw/zinc/53/12/17/702531217.db2.gz QZOIAZGKXCBWFD-XUWXXGDYSA-N 2 1 302.466 1.967 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843047068 702807715 /nfs/dbraw/zinc/80/77/15/702807715.db2.gz MXIVUDOQAPJPQK-OAHLLOKOSA-N 2 1 317.433 1.344 20 10 DDCDMP O=C([C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1)N1CC[NH2+]CC1 ZINC000843047002 702807793 /nfs/dbraw/zinc/80/77/93/702807793.db2.gz KNGPTUNKHWQAJP-CYBMUJFWSA-N 2 1 321.396 1.175 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843051482 702808834 /nfs/dbraw/zinc/80/88/34/702808834.db2.gz JHHBIXLPHYYYQY-SJLPKXTDSA-N 3 1 316.493 1.998 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843051482 702808837 /nfs/dbraw/zinc/80/88/37/702808837.db2.gz JHHBIXLPHYYYQY-SJLPKXTDSA-N 2 1 316.493 1.998 20 10 DDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843051482 702808839 /nfs/dbraw/zinc/80/88/39/702808839.db2.gz JHHBIXLPHYYYQY-SJLPKXTDSA-N 2 1 316.493 1.998 20 10 DDCDMP CN(C)c1ccc(/C=C/C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843124533 702824693 /nfs/dbraw/zinc/82/46/93/702824693.db2.gz GOTPMAZTHLCXFB-GNAXCBTBSA-N 2 1 314.477 1.745 20 10 DDCDMP Cc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872254667 707351131 /nfs/dbraw/zinc/35/11/31/707351131.db2.gz BEJIKURPQSPFIX-KFWWJZLASA-N 2 1 317.389 1.068 20 10 DDCDMP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1C ZINC000883283448 707965108 /nfs/dbraw/zinc/96/51/08/707965108.db2.gz GAIPJQCIXCYROL-UHFFFAOYSA-N 2 1 313.449 1.770 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C[NH3+] ZINC000923494534 714377842 /nfs/dbraw/zinc/37/78/42/714377842.db2.gz YPMGPDVCMIGEQI-RDJZCZTQSA-N 2 1 303.450 1.940 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CC[C@@H]4C3)cc2)CC1 ZINC001139411450 860389550 /nfs/dbraw/zinc/38/95/50/860389550.db2.gz MTJXDFBGABDXFK-GOSISDBHSA-N 2 1 300.450 1.328 20 10 DDCDMP C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139407782 860391093 /nfs/dbraw/zinc/39/10/93/860391093.db2.gz DJHSIHBBDTYCHR-YJBOKZPZSA-N 2 1 303.450 1.641 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC001140302706 860614762 /nfs/dbraw/zinc/61/47/62/860614762.db2.gz YKNIAHYBEGAXSA-GOSISDBHSA-N 2 1 303.450 1.785 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001141030807 860767033 /nfs/dbraw/zinc/76/70/33/860767033.db2.gz LZVWCJURIBNQEE-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001141030807 860767039 /nfs/dbraw/zinc/76/70/39/860767039.db2.gz LZVWCJURIBNQEE-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC001141030807 860767047 /nfs/dbraw/zinc/76/70/47/860767047.db2.gz LZVWCJURIBNQEE-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC001141030807 860767048 /nfs/dbraw/zinc/76/70/48/860767048.db2.gz LZVWCJURIBNQEE-KRWDZBQOSA-N 2 1 306.406 1.937 20 10 DDCDMP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001203558619 870641464 /nfs/dbraw/zinc/64/14/64/870641464.db2.gz PXKQBZNDTJZCQZ-UHFFFAOYSA-N 2 1 317.433 1.554 20 10 DDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001205242149 871453836 /nfs/dbraw/zinc/45/38/36/871453836.db2.gz WZCUBFUAYCIQDE-AWEZNQCLSA-N 2 1 300.786 1.427 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001355364493 878522088 /nfs/dbraw/zinc/52/20/88/878522088.db2.gz XCZRAZDOPVIJKQ-CXAGYDPISA-N 2 1 307.413 1.390 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001355364493 878522101 /nfs/dbraw/zinc/52/21/01/878522101.db2.gz XCZRAZDOPVIJKQ-CXAGYDPISA-N 2 1 307.413 1.390 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991352 888311840 /nfs/dbraw/zinc/31/18/40/888311840.db2.gz FGTMAKNCCFJIJQ-LJQANCHMSA-N 3 1 314.477 1.672 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991352 888311855 /nfs/dbraw/zinc/31/18/55/888311855.db2.gz FGTMAKNCCFJIJQ-LJQANCHMSA-N 2 1 314.477 1.672 20 10 DDCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054785 888377372 /nfs/dbraw/zinc/37/73/72/888377372.db2.gz XNCAWKVYPNQPNY-GOSISDBHSA-N 2 1 300.450 1.424 20 10 DDCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054785 888377385 /nfs/dbraw/zinc/37/73/85/888377385.db2.gz XNCAWKVYPNQPNY-GOSISDBHSA-N 2 1 300.450 1.424 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)C[NH2+]CCO2 ZINC001235265206 888514243 /nfs/dbraw/zinc/51/42/43/888514243.db2.gz BUYVJYHSGOHPCX-DOMZBBRYSA-N 3 1 303.406 1.058 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)C[NH2+]CCO2 ZINC001235265206 888514253 /nfs/dbraw/zinc/51/42/53/888514253.db2.gz BUYVJYHSGOHPCX-DOMZBBRYSA-N 3 1 303.406 1.058 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C1CC[NH2+]CC1 ZINC001235762254 888935254 /nfs/dbraw/zinc/93/52/54/888935254.db2.gz QVPTWADHEACBFP-UHFFFAOYSA-N 3 1 318.465 1.376 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](CO)O1 ZINC000787416889 699211029 /nfs/dbraw/zinc/21/10/29/699211029.db2.gz KLJYFOIDSDYKJP-QAPCUYQASA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](CO)O1 ZINC000787416889 699211030 /nfs/dbraw/zinc/21/10/30/699211030.db2.gz KLJYFOIDSDYKJP-QAPCUYQASA-N 2 1 319.449 1.020 20 10 DDCDMP CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817415336 702374414 /nfs/dbraw/zinc/37/44/14/702374414.db2.gz RFRVOJIODVLONJ-QGZVFWFLSA-N 2 1 316.449 1.149 20 10 DDCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895844 702511643 /nfs/dbraw/zinc/51/16/43/702511643.db2.gz WXEQIIYPFMDFTE-ZWKOTPCHSA-N 2 1 303.450 1.865 20 10 DDCDMP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844227495 702997362 /nfs/dbraw/zinc/99/73/62/702997362.db2.gz WZRYQTNUZPKEIJ-GOEBONIOSA-N 2 1 318.465 1.286 20 10 DDCDMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844227495 702997364 /nfs/dbraw/zinc/99/73/64/702997364.db2.gz WZRYQTNUZPKEIJ-GOEBONIOSA-N 2 1 318.465 1.286 20 10 DDCDMP Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(O)c1 ZINC000876789396 705877592 /nfs/dbraw/zinc/87/75/92/705877592.db2.gz ACAUGGUXQRXYDY-MRXNPFEDSA-N 2 1 317.433 1.439 20 10 DDCDMP Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(O)c1 ZINC000876789396 705877596 /nfs/dbraw/zinc/87/75/96/705877596.db2.gz ACAUGGUXQRXYDY-MRXNPFEDSA-N 2 1 317.433 1.439 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2csc(C[NH3+])n2)cc1 ZINC000832267620 706882136 /nfs/dbraw/zinc/88/21/36/706882136.db2.gz XWDDDNYOAFJHSU-GFCCVEGCSA-N 2 1 319.434 1.098 20 10 DDCDMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1Cn1cccn1 ZINC000873007306 707691960 /nfs/dbraw/zinc/69/19/60/707691960.db2.gz KRZNUMKSCZFSNU-UHFFFAOYSA-N 2 1 302.422 1.981 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@H](O)CC2)cc(C[NH+](C)C)c1O ZINC001139253023 860336356 /nfs/dbraw/zinc/33/63/56/860336356.db2.gz IZFQYMCDKSLOIH-HNNXBMFYSA-N 2 1 308.422 1.809 20 10 DDCDMP COc1cc(C[N@H+]2C[C@H](O)CC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139256145 860339135 /nfs/dbraw/zinc/33/91/35/860339135.db2.gz VBHKNQZLYCPQGY-IUODEOHRSA-N 2 1 308.422 1.808 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN3CC[N@H+]4CC[C@@H]4C3)cc2)CC1 ZINC001140309354 860616238 /nfs/dbraw/zinc/61/62/38/860616238.db2.gz CCGWXFWERZCVAP-LJQANCHMSA-N 2 1 314.477 1.718 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCN4CC[C@@H]4C3)cc2)CC1 ZINC001140309354 860616241 /nfs/dbraw/zinc/61/62/41/860616241.db2.gz CCGWXFWERZCVAP-LJQANCHMSA-N 2 1 314.477 1.718 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCN4CC[C@@H]4C3)cc2)CC1 ZINC001140309354 860616245 /nfs/dbraw/zinc/61/62/45/860616245.db2.gz CCGWXFWERZCVAP-LJQANCHMSA-N 2 1 314.477 1.718 20 10 DDCDMP CC(C)[N@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319684386 866215239 /nfs/dbraw/zinc/21/52/39/866215239.db2.gz TZCFIUJXDVVYFZ-UHFFFAOYSA-N 2 1 309.429 1.780 20 10 DDCDMP CC(C)[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319684386 866215259 /nfs/dbraw/zinc/21/52/59/866215259.db2.gz TZCFIUJXDVVYFZ-UHFFFAOYSA-N 2 1 309.429 1.780 20 10 DDCDMP C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321293499 867465676 /nfs/dbraw/zinc/46/56/76/867465676.db2.gz KTWWNHCLDRSCML-QGZUEGPWSA-N 2 1 321.440 1.994 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)C3CC3)cc2F)CC1 ZINC001318524010 872130946 /nfs/dbraw/zinc/13/09/46/872130946.db2.gz INGGCROKHFNPJS-INIZCTEOSA-N 2 1 307.413 1.438 20 10 DDCDMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(N)cc1)CC[NH2+]CC2 ZINC001222226924 880343693 /nfs/dbraw/zinc/34/36/93/880343693.db2.gz ZAWAMRLNRWMQLM-MRXNPFEDSA-N 2 1 317.433 1.776 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064635 888387351 /nfs/dbraw/zinc/38/73/51/888387351.db2.gz SHHVJNMNAUWLSX-GOSISDBHSA-N 2 1 318.465 1.376 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064635 888387362 /nfs/dbraw/zinc/38/73/62/888387362.db2.gz SHHVJNMNAUWLSX-GOSISDBHSA-N 2 1 318.465 1.376 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237414991 889623975 /nfs/dbraw/zinc/62/39/75/889623975.db2.gz OAEGWFNEXDDVGO-WFASDCNBSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237414991 889623995 /nfs/dbraw/zinc/62/39/95/889623995.db2.gz OAEGWFNEXDDVGO-WFASDCNBSA-N 2 1 306.406 1.983 20 10 DDCDMP C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377632556 418712384 /nfs/dbraw/zinc/71/23/84/418712384.db2.gz SXFNSZQOYDSFOT-QGZVFWFLSA-N 2 1 303.450 1.993 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(C3)OCCO4)cc2)CC1 ZINC000775678172 698021762 /nfs/dbraw/zinc/02/17/62/698021762.db2.gz BBVAEEYJSVWWTA-UHFFFAOYSA-N 2 1 317.433 1.387 20 10 DDCDMP C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817413522 702373553 /nfs/dbraw/zinc/37/35/53/702373553.db2.gz YRYSLKUDHKGTRK-SJLPKXTDSA-N 2 1 317.477 1.889 20 10 DDCDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1O ZINC000842474923 702724969 /nfs/dbraw/zinc/72/49/69/702724969.db2.gz GCHUMEGGANDKOJ-HNNXBMFYSA-N 2 1 321.396 1.213 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000843121937 702823621 /nfs/dbraw/zinc/82/36/21/702823621.db2.gz LVINCMFTMYAHOM-AWEZNQCLSA-N 2 1 321.421 1.220 20 10 DDCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844221159 702995769 /nfs/dbraw/zinc/99/57/69/702995769.db2.gz IVUHNNTWCQXFQF-HIFRSBDPSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844221159 702995770 /nfs/dbraw/zinc/99/57/70/702995770.db2.gz IVUHNNTWCQXFQF-HIFRSBDPSA-N 2 1 304.438 1.038 20 10 DDCDMP Cc1cccc(O)c1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000877022474 705961961 /nfs/dbraw/zinc/96/19/61/705961961.db2.gz VVJIVIPFHTYYBA-AWEZNQCLSA-N 2 1 305.422 1.378 20 10 DDCDMP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000891247093 710140426 /nfs/dbraw/zinc/14/04/26/710140426.db2.gz HGLHPZBYVPFDJR-RDJZCZTQSA-N 2 1 318.465 1.423 20 10 DDCDMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000903974148 711354182 /nfs/dbraw/zinc/35/41/82/711354182.db2.gz KDOFXDWYGZVAKQ-SJLPKXTDSA-N 2 1 316.493 1.774 20 10 DDCDMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2O)C1=O ZINC001272619443 846417396 /nfs/dbraw/zinc/41/73/96/846417396.db2.gz VWXZKOLPOXLNCX-GOSISDBHSA-N 2 1 317.433 1.521 20 10 DDCDMP COc1cccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c1O ZINC001275271784 852942011 /nfs/dbraw/zinc/94/20/11/852942011.db2.gz YFCNPFXCTQWWNQ-UHFFFAOYSA-N 2 1 305.422 1.223 20 10 DDCDMP COc1cc(C[N@@H+]2CCC(=O)N(C)CC2)cc(C[NH+](C)C)c1O ZINC001139257658 860338190 /nfs/dbraw/zinc/33/81/90/860338190.db2.gz ZVKJURSIBHWWAD-UHFFFAOYSA-N 2 1 321.421 1.127 20 10 DDCDMP COc1cc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139255873 860338457 /nfs/dbraw/zinc/33/84/57/860338457.db2.gz SINOTVVIVFNRBV-UONOGXRCSA-N 2 1 321.465 1.987 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC001139404769 860388118 /nfs/dbraw/zinc/38/81/18/860388118.db2.gz ZRBBOQLQQBCHCC-HNNXBMFYSA-N 2 1 301.434 1.849 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC001139404769 860388128 /nfs/dbraw/zinc/38/81/28/860388128.db2.gz ZRBBOQLQQBCHCC-HNNXBMFYSA-N 2 1 301.434 1.849 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@](C)(O)C3)cc2)CC1 ZINC001139407945 860390170 /nfs/dbraw/zinc/39/01/70/860390170.db2.gz HNZSPUWMJLHGRY-GOSISDBHSA-N 2 1 319.449 1.022 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)C3)cc2)CC1 ZINC001140304770 860615975 /nfs/dbraw/zinc/61/59/75/860615975.db2.gz AYZBIAWEYSLLFM-QGZVFWFLSA-N 2 1 303.450 1.643 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CCO)CC3)cc2F)CC1 ZINC001320585761 866858147 /nfs/dbraw/zinc/85/81/47/866858147.db2.gz WKQWKLGSECGEAT-UHFFFAOYSA-N 2 1 321.440 1.830 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(Cl)c1 ZINC001205248048 871459114 /nfs/dbraw/zinc/45/91/14/871459114.db2.gz LWGNGKHVYMWCGO-HNNXBMFYSA-N 2 1 314.813 1.730 20 10 DDCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC1(F)F ZINC001205768788 871795063 /nfs/dbraw/zinc/79/50/63/871795063.db2.gz GWUDRADBVDAMTI-HNNXBMFYSA-N 3 1 324.419 1.512 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC1(F)F ZINC001205768788 871795069 /nfs/dbraw/zinc/79/50/69/871795069.db2.gz GWUDRADBVDAMTI-HNNXBMFYSA-N 3 1 324.419 1.512 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206209725 872133862 /nfs/dbraw/zinc/13/38/62/872133862.db2.gz ISFHGGJYEGCYFS-ZIAGYGMSSA-N 2 1 310.369 1.369 20 10 DDCDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000401778801 876684284 /nfs/dbraw/zinc/68/42/84/876684284.db2.gz OYTQGNUJEVSBFZ-UHFFFAOYSA-N 2 1 300.406 1.589 20 10 DDCDMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486970 887022016 /nfs/dbraw/zinc/02/20/16/887022016.db2.gz KCEZMROIKOFNMO-UHFFFAOYSA-N 2 1 315.373 1.829 20 10 DDCDMP CC[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@H]1CC[NH2+]C1 ZINC001236409465 889226804 /nfs/dbraw/zinc/22/68/04/889226804.db2.gz ARWAQKJYZBNNFQ-ZDUSSCGKSA-N 3 1 305.422 1.306 20 10 DDCDMP CC[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C[C@H]1CC[NH2+]C1 ZINC001236409465 889226816 /nfs/dbraw/zinc/22/68/16/889226816.db2.gz ARWAQKJYZBNNFQ-ZDUSSCGKSA-N 2 1 305.422 1.306 20 10 DDCDMP CC[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C[C@H]1CC[NH2+]C1 ZINC001236409465 889226829 /nfs/dbraw/zinc/22/68/29/889226829.db2.gz ARWAQKJYZBNNFQ-ZDUSSCGKSA-N 2 1 305.422 1.306 20 10 DDCDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000178669446 407539340 /nfs/dbraw/zinc/53/93/40/407539340.db2.gz LMVBASCMBBYMHH-OAHLLOKOSA-N 2 1 318.465 1.567 20 10 DDCDMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)[C@H]1CCC[NH2+]1 ZINC000321883471 698731004 /nfs/dbraw/zinc/73/10/04/698731004.db2.gz KBSOIPVTDRFAQE-GOEBONIOSA-N 2 1 317.433 1.472 20 10 DDCDMP COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1O ZINC000841085596 702340219 /nfs/dbraw/zinc/34/02/19/702340219.db2.gz IEDMSXBLXBSGAV-LBPRGKRZSA-N 2 1 300.786 1.522 20 10 DDCDMP Fc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1N1CCOCC1 ZINC000841086900 702340741 /nfs/dbraw/zinc/34/07/41/702340741.db2.gz QDRIGBXMXYNSNU-OAHLLOKOSA-N 2 1 323.412 1.130 20 10 DDCDMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000854232045 704369231 /nfs/dbraw/zinc/36/92/31/704369231.db2.gz KDMKHDTXVQBDOY-OAHLLOKOSA-N 2 1 315.421 1.948 20 10 DDCDMP Oc1cc2c(cc1CN1CCC([N@H+]3CC[C@@H](O)C3)CC1)OCO2 ZINC000827699094 706052107 /nfs/dbraw/zinc/05/21/07/706052107.db2.gz DYTUWNAXTPZJLM-CQSZACIVSA-N 2 1 320.389 1.152 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000904420486 711855907 /nfs/dbraw/zinc/85/59/07/711855907.db2.gz QFJHPSWCHGZRNK-ZWKOTPCHSA-N 3 1 314.477 1.480 20 10 DDCDMP COc1cc(C[N@@H+](C)C2CCN(C)CC2)cc(C[NH+](C)C)c1O ZINC001139253034 757191763 /nfs/dbraw/zinc/19/17/63/757191763.db2.gz JFXXRUNAWNCNDJ-UHFFFAOYSA-N 2 1 321.465 1.988 20 10 DDCDMP COc1cc(CN(C)C2CC[NH+](C)CC2)cc(C[NH+](C)C)c1O ZINC001139253034 757191767 /nfs/dbraw/zinc/19/17/67/757191767.db2.gz JFXXRUNAWNCNDJ-UHFFFAOYSA-N 2 1 321.465 1.988 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC001327003524 861788497 /nfs/dbraw/zinc/78/84/97/861788497.db2.gz FSMPBTKGNULXSG-OAHLLOKOSA-N 2 1 306.429 1.501 20 10 DDCDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001276168184 854872268 /nfs/dbraw/zinc/87/22/68/854872268.db2.gz CEAGFOPJIVKYBK-IRXDYDNUSA-N 2 1 303.450 1.911 20 10 DDCDMP C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410865 860391117 /nfs/dbraw/zinc/39/11/17/860391117.db2.gz IWPVMBAMPDQNMY-ROUUACIJSA-N 2 1 300.450 1.327 20 10 DDCDMP CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410865 860391123 /nfs/dbraw/zinc/39/11/23/860391123.db2.gz IWPVMBAMPDQNMY-ROUUACIJSA-N 2 1 300.450 1.327 20 10 DDCDMP CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410865 860391129 /nfs/dbraw/zinc/39/11/29/860391129.db2.gz IWPVMBAMPDQNMY-ROUUACIJSA-N 2 1 300.450 1.327 20 10 DDCDMP Cc1ccc(C)c(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1O ZINC001140184463 860588292 /nfs/dbraw/zinc/58/82/92/860588292.db2.gz VFXRXUKOUQCZFB-UHFFFAOYSA-N 2 1 319.449 1.605 20 10 DDCDMP CC1(C[NH3+])C[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206717883 870231756 /nfs/dbraw/zinc/23/17/56/870231756.db2.gz GJKMGCQMQCYFAA-UHFFFAOYSA-N 2 1 301.434 1.872 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(O)c1 ZINC001205297072 871488058 /nfs/dbraw/zinc/48/80/58/871488058.db2.gz YMBJVXZPSANXDM-KRWDZBQOSA-N 2 1 306.406 1.811 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2F)CC1 ZINC001348514750 874605890 /nfs/dbraw/zinc/60/58/90/874605890.db2.gz GSDMAWYNGSBGFM-MRXNPFEDSA-N 3 1 320.456 1.809 20 10 DDCDMP COc1cc(N(C)C)ccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507382 880524709 /nfs/dbraw/zinc/52/47/09/880524709.db2.gz VIUCOTSSWPAFHM-IRXDYDNUSA-N 2 1 318.465 1.287 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)C[NH2+]CCO2 ZINC001222629236 880610646 /nfs/dbraw/zinc/61/06/46/880610646.db2.gz FQBCAANHPCKKMQ-OKILXGFUSA-N 3 1 317.433 1.306 20 10 DDCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235102527 888408771 /nfs/dbraw/zinc/40/87/71/888408771.db2.gz OQBLLFCTHDXAGM-UHFFFAOYSA-N 3 1 316.449 1.130 20 10 DDCDMP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC12CC[NH2+]CC2 ZINC001235102527 888408781 /nfs/dbraw/zinc/40/87/81/888408781.db2.gz OQBLLFCTHDXAGM-UHFFFAOYSA-N 2 1 316.449 1.130 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215843 889145478 /nfs/dbraw/zinc/14/54/78/889145478.db2.gz IQDIJHGPYYFVAK-IAGOWNOFSA-N 3 1 318.465 1.504 20 10 DDCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215843 889145493 /nfs/dbraw/zinc/14/54/93/889145493.db2.gz IQDIJHGPYYFVAK-IAGOWNOFSA-N 2 1 318.465 1.504 20 10 DDCDMP CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001261835320 899783044 /nfs/dbraw/zinc/78/30/44/899783044.db2.gz QUAUFRGTVZCNHN-DLBZAZTESA-N 2 1 320.456 1.808 20 10 DDCDMP COc1cc(O)c(C[N@@H+](CCO)C2CCN(C)CC2)cc1OC ZINC000183377919 408393240 /nfs/dbraw/zinc/39/32/40/408393240.db2.gz VLJNJNNNEZOZLC-UHFFFAOYSA-N 2 1 324.421 1.298 20 10 DDCDMP COc1cc(O)c(CN(CCO)C2CC[NH+](C)CC2)cc1OC ZINC000183377919 408393243 /nfs/dbraw/zinc/39/32/43/408393243.db2.gz VLJNJNNNEZOZLC-UHFFFAOYSA-N 2 1 324.421 1.298 20 10 DDCDMP CN(C)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775675050 698021658 /nfs/dbraw/zinc/02/16/58/698021658.db2.gz QOLFNOXNHHTOEC-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP CN(C)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775675050 698021661 /nfs/dbraw/zinc/02/16/61/698021661.db2.gz QOLFNOXNHHTOEC-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP C[C@H]1C[C@@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000841062951 702331397 /nfs/dbraw/zinc/33/13/97/702331397.db2.gz ZTDFAXLSARHBJS-RDJZCZTQSA-N 2 1 302.466 1.669 20 10 DDCDMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000841098937 702346499 /nfs/dbraw/zinc/34/64/99/702346499.db2.gz AINKJKYTDMFLNJ-CQSZACIVSA-N 2 1 321.812 1.933 20 10 DDCDMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N2CCOCC2)c(F)c1 ZINC000817976978 702541648 /nfs/dbraw/zinc/54/16/48/702541648.db2.gz YAYLAPVEBVTQSX-HVOFVXBASA-N 2 1 305.397 1.531 20 10 DDCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1[NH3+] ZINC000843053044 702809079 /nfs/dbraw/zinc/80/90/79/702809079.db2.gz WDLHUYIHGIPTAF-IEBWSBKVSA-N 3 1 316.493 1.998 20 10 DDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000843060122 702810197 /nfs/dbraw/zinc/81/01/97/702810197.db2.gz DONKAOAYPXRZTO-QGZVFWFLSA-N 2 1 303.450 1.955 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000843060761 702810347 /nfs/dbraw/zinc/81/03/47/702810347.db2.gz PECXYUSFYKRUAH-GOSISDBHSA-N 2 1 303.450 1.955 20 10 DDCDMP CCOc1ccc(C[NH+]2CCC([NH2+]CCOC)CC2)c(O)c1 ZINC000844900128 703081951 /nfs/dbraw/zinc/08/19/51/703081951.db2.gz KIUHONBXOZAPMB-UHFFFAOYSA-N 2 1 308.422 1.991 20 10 DDCDMP CCOc1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(O)c1 ZINC000827699106 706052118 /nfs/dbraw/zinc/05/21/18/706052118.db2.gz FASDGJMRPIFDKA-MRXNPFEDSA-N 2 1 320.433 1.822 20 10 DDCDMP CCC[N@@H+](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251905 710142455 /nfs/dbraw/zinc/14/24/55/710142455.db2.gz HYQRANAWNJOGOC-QGZVFWFLSA-N 2 1 320.481 1.813 20 10 DDCDMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 ZINC000933732230 714657705 /nfs/dbraw/zinc/65/77/05/714657705.db2.gz GRYYMQNJRRWYNR-MJGOQNOKSA-N 2 1 315.461 1.907 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 ZINC000933732230 714657707 /nfs/dbraw/zinc/65/77/07/714657707.db2.gz GRYYMQNJRRWYNR-MJGOQNOKSA-N 2 1 315.461 1.907 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 ZINC000933732230 714657709 /nfs/dbraw/zinc/65/77/09/714657709.db2.gz GRYYMQNJRRWYNR-MJGOQNOKSA-N 2 1 315.461 1.907 20 10 DDCDMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccccc4O)CC3)[C@H]2C1 ZINC001275267595 852940852 /nfs/dbraw/zinc/94/08/52/852940852.db2.gz SKIMTKLPDNBRPS-GJZGRUSLSA-N 2 1 315.417 1.034 20 10 DDCDMP Cc1cccc(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c1O ZINC001276080658 854716443 /nfs/dbraw/zinc/71/64/43/854716443.db2.gz ROQQRBGSBXRGEJ-CALCHBBNSA-N 2 1 319.449 1.147 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H]3OCC[C@H]32)cc(C[NH+](C)C)c1O ZINC001139255221 860338365 /nfs/dbraw/zinc/33/83/65/860338365.db2.gz NZHJHACSOWSRNL-HUUCEWRRSA-N 2 1 306.406 1.826 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(CO)C3)cc2)CC1 ZINC001139407755 860390375 /nfs/dbraw/zinc/39/03/75/860390375.db2.gz COAYXEKWBOZCSC-GOSISDBHSA-N 2 1 303.450 1.643 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](F)C[C@H](CO)C3)cc2)CC1 ZINC001139408643 860390910 /nfs/dbraw/zinc/39/09/10/860390910.db2.gz OGUQRCQIDOINLR-DLBZAZTESA-N 2 1 321.440 1.591 20 10 DDCDMP C[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332354165 865783462 /nfs/dbraw/zinc/78/34/62/865783462.db2.gz XVZFELVLZOEJDO-XJKSGUPXSA-N 2 1 307.413 1.702 20 10 DDCDMP NC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001204932479 871292101 /nfs/dbraw/zinc/29/21/01/871292101.db2.gz KBPCBWBAQHTUEJ-MRXNPFEDSA-N 2 1 304.438 1.115 20 10 DDCDMP NC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001204932479 871292121 /nfs/dbraw/zinc/29/21/21/871292121.db2.gz KBPCBWBAQHTUEJ-MRXNPFEDSA-N 2 1 304.438 1.115 20 10 DDCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)N(C)C ZINC001343583969 872677722 /nfs/dbraw/zinc/67/77/22/872677722.db2.gz NHWDSHAJEJUWLS-ZDUSSCGKSA-N 2 1 322.428 1.144 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001276833165 880662765 /nfs/dbraw/zinc/66/27/65/880662765.db2.gz JSGXHIGFNNMQAU-KBPBESRZSA-N 2 1 321.421 1.014 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001276833165 880662771 /nfs/dbraw/zinc/66/27/71/880662771.db2.gz JSGXHIGFNNMQAU-KBPBESRZSA-N 2 1 321.421 1.014 20 10 DDCDMP COc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)cc(C[NH+](C)C)c1O ZINC001276861457 880812309 /nfs/dbraw/zinc/81/23/09/880812309.db2.gz PYEMQFUTWUTIAG-HOTGVXAUSA-N 2 1 319.449 1.741 20 10 DDCDMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001231593486 885755336 /nfs/dbraw/zinc/75/53/36/885755336.db2.gz QMDJYGFMKIVQTF-DLBZAZTESA-N 2 1 303.450 1.911 20 10 DDCDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc(F)ccc3O)CC2)C1 ZINC000360674451 418488980 /nfs/dbraw/zinc/48/89/80/418488980.db2.gz TYHYSMBZVHTHPI-INIZCTEOSA-N 2 1 307.413 1.743 20 10 DDCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc(F)ccc3O)CC2)C1 ZINC000360674451 418488981 /nfs/dbraw/zinc/48/89/81/418488981.db2.gz TYHYSMBZVHTHPI-INIZCTEOSA-N 2 1 307.413 1.743 20 10 DDCDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000105476313 696622413 /nfs/dbraw/zinc/62/24/13/696622413.db2.gz ARADKOGMWOCGMV-UHFFFAOYSA-N 2 1 303.450 1.739 20 10 DDCDMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000832284790 706884436 /nfs/dbraw/zinc/88/44/36/706884436.db2.gz MDFSLXRGBDZIRF-WQVCFCJDSA-N 2 1 304.438 1.209 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000883443051 708003312 /nfs/dbraw/zinc/00/33/12/708003312.db2.gz YTPIBTSMUOLEGH-HUUCEWRRSA-N 2 1 304.438 1.084 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[NH2+]CC3(C)C)cc2F)CC1 ZINC001326501993 861411783 /nfs/dbraw/zinc/41/17/83/861411783.db2.gz JJLJXONYOGSQEO-UHFFFAOYSA-N 2 1 320.456 1.761 20 10 DDCDMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccccc4O)CC3)[C@@H]2C1 ZINC001275267596 852940556 /nfs/dbraw/zinc/94/05/56/852940556.db2.gz SKIMTKLPDNBRPS-HUUCEWRRSA-N 2 1 315.417 1.034 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC001275267532 852941045 /nfs/dbraw/zinc/94/10/45/852941045.db2.gz QLOZHPPGNNKWJZ-UHFFFAOYSA-N 2 1 303.450 1.852 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000775685258 881396389 /nfs/dbraw/zinc/39/63/89/881396389.db2.gz DIQLAQWMXAZYIV-LJQANCHMSA-N 2 1 314.477 1.718 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H](C(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139259270 860340366 /nfs/dbraw/zinc/34/03/66/860340366.db2.gz OYXZPEBOMBVSJR-AWEZNQCLSA-N 2 1 306.406 1.873 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2)CC1 ZINC001335551746 868378438 /nfs/dbraw/zinc/37/84/38/868378438.db2.gz JLDCUPUFDAKXOR-UHFFFAOYSA-N 2 1 316.493 1.870 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205627426 871665234 /nfs/dbraw/zinc/66/52/34/871665234.db2.gz PNAILUYDZJFGGE-FUHWJXTLSA-N 3 1 316.493 1.903 20 10 DDCDMP COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(O)c1 ZINC001205651664 871677212 /nfs/dbraw/zinc/67/72/12/871677212.db2.gz IBCYKWFBHZGANH-ZFWWWQNUSA-N 2 1 320.433 1.915 20 10 DDCDMP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CSC[NH2+]2)[NH+](C)C)cc1 ZINC001343046718 872480989 /nfs/dbraw/zinc/48/09/89/872480989.db2.gz FUXKZRATKIEWHC-CABCVRRESA-N 2 1 322.478 1.134 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(O)c1 ZINC001206646304 872492293 /nfs/dbraw/zinc/49/22/93/872492293.db2.gz AJLYZZWUXBLKJC-CQSZACIVSA-N 2 1 306.406 1.669 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786278 882651162 /nfs/dbraw/zinc/65/11/62/882651162.db2.gz YVFQPFDGYIYXJD-UHFFFAOYSA-N 3 1 314.477 1.814 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)C[NH2+]1 ZINC001345957202 873571120 /nfs/dbraw/zinc/57/11/20/873571120.db2.gz UMYKDPXUHKRTHB-HUUCEWRRSA-N 2 1 320.456 1.760 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)C[NH2+]CCO2 ZINC001222154493 880286799 /nfs/dbraw/zinc/28/67/99/880286799.db2.gz NVPBSYWYSNHVJW-GOSISDBHSA-N 3 1 317.433 1.450 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCC[NH2+]C3)C[NH2+]CCO2 ZINC001222154493 880286809 /nfs/dbraw/zinc/28/68/09/880286809.db2.gz NVPBSYWYSNHVJW-GOSISDBHSA-N 3 1 317.433 1.450 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222244447 880355526 /nfs/dbraw/zinc/35/55/26/880355526.db2.gz YLVWZHDKWOICOB-LJQANCHMSA-N 3 1 314.477 1.814 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222244447 880355538 /nfs/dbraw/zinc/35/55/38/880355538.db2.gz YLVWZHDKWOICOB-LJQANCHMSA-N 3 1 314.477 1.814 20 10 DDCDMP Oc1ccc(F)c(Cl)c1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222510700 880526458 /nfs/dbraw/zinc/52/64/58/880526458.db2.gz DSKYHKGOCAMSML-STQMWFEESA-N 2 1 313.804 1.711 20 10 DDCDMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235244743 888498330 /nfs/dbraw/zinc/49/83/30/888498330.db2.gz INWJVYUHNOICCR-CRAIPNDOSA-N 3 1 316.449 1.115 20 10 DDCDMP [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235244743 888498339 /nfs/dbraw/zinc/49/83/39/888498339.db2.gz INWJVYUHNOICCR-CRAIPNDOSA-N 2 1 316.449 1.115 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)CC1CC[NH2+]CC1 ZINC001235432972 888637946 /nfs/dbraw/zinc/63/79/46/888637946.db2.gz BZGQECNMYPLVQC-UHFFFAOYSA-N 3 1 302.466 1.528 20 10 DDCDMP COc1cc(Br)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1O ZINC000841048312 702324039 /nfs/dbraw/zinc/32/40/39/702324039.db2.gz CQJBRNAZLULFGU-LLVKDONJSA-N 2 1 315.211 1.990 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000846145122 703242358 /nfs/dbraw/zinc/24/23/58/703242358.db2.gz LQYFFDIDNAAGCT-MELADBBJSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000846145122 703242360 /nfs/dbraw/zinc/24/23/60/703242360.db2.gz LQYFFDIDNAAGCT-MELADBBJSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC000848908569 703602094 /nfs/dbraw/zinc/60/20/94/703602094.db2.gz XMGOJUUTUVMLLU-HNNXBMFYSA-N 2 1 306.406 1.744 20 10 DDCDMP Cc1cccc(O)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000876996632 705952379 /nfs/dbraw/zinc/95/23/79/705952379.db2.gz XLJRTNTVXYBGMZ-INIZCTEOSA-N 2 1 319.449 1.733 20 10 DDCDMP Cc1cccc(O)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000876996632 705952382 /nfs/dbraw/zinc/95/23/82/705952382.db2.gz XLJRTNTVXYBGMZ-INIZCTEOSA-N 2 1 319.449 1.733 20 10 DDCDMP CCOc1ccc(O)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000827699498 706052054 /nfs/dbraw/zinc/05/20/54/706052054.db2.gz ICRUWDHIPAEVCR-MRXNPFEDSA-N 2 1 320.433 1.822 20 10 DDCDMP COc1cc(C)cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000895341368 711489621 /nfs/dbraw/zinc/48/96/21/711489621.db2.gz DTOBWUXUFPKXDG-MRXNPFEDSA-N 2 1 320.433 1.740 20 10 DDCDMP COc1cc(C)cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000895341368 711489624 /nfs/dbraw/zinc/48/96/24/711489624.db2.gz DTOBWUXUFPKXDG-MRXNPFEDSA-N 2 1 320.433 1.740 20 10 DDCDMP COc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c(OC)c1 ZINC001205724898 746699461 /nfs/dbraw/zinc/69/94/61/746699461.db2.gz AEOCMTRDFARZBT-MRXNPFEDSA-N 2 1 310.394 1.085 20 10 DDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001205247874 751330517 /nfs/dbraw/zinc/33/05/17/751330517.db2.gz KKYCCAOWXHMTFG-CQSZACIVSA-N 2 1 302.777 1.860 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)CC3CC3)cc2F)CC1 ZINC001116819543 780564176 /nfs/dbraw/zinc/56/41/76/780564176.db2.gz HFTXODPHEMQSPL-MRXNPFEDSA-N 2 1 321.440 1.828 20 10 DDCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CO1 ZINC001326492388 861404771 /nfs/dbraw/zinc/40/47/71/861404771.db2.gz ZDCISTLVFLUUTN-HIFRSBDPSA-N 2 1 307.413 1.845 20 10 DDCDMP C[C@H]1[NH2+]CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1C ZINC001326991140 861778236 /nfs/dbraw/zinc/77/82/36/861778236.db2.gz OQBYLOGBQDIRTQ-HUUCEWRRSA-N 2 1 320.456 1.760 20 10 DDCDMP CC[N@H+]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139404501 860388575 /nfs/dbraw/zinc/38/85/75/860388575.db2.gz LCFDKIGSZNLGGQ-UHFFFAOYSA-N 2 1 316.493 1.966 20 10 DDCDMP CCN1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139404501 860388582 /nfs/dbraw/zinc/38/85/82/860388582.db2.gz LCFDKIGSZNLGGQ-UHFFFAOYSA-N 2 1 316.493 1.966 20 10 DDCDMP CCN1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139404501 860388590 /nfs/dbraw/zinc/38/85/90/860388590.db2.gz LCFDKIGSZNLGGQ-UHFFFAOYSA-N 2 1 316.493 1.966 20 10 DDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001140620497 860663574 /nfs/dbraw/zinc/66/35/74/860663574.db2.gz QLKBTQTWRODOHX-DLBZAZTESA-N 2 1 303.450 1.911 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C3(C)C)cc2F)CC1 ZINC001323997576 867001232 /nfs/dbraw/zinc/00/12/32/867001232.db2.gz QJOREHGQPFJISS-QGZVFWFLSA-N 2 1 321.440 1.923 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C3(C)C)cc2F)CC1 ZINC001323997576 867001245 /nfs/dbraw/zinc/00/12/45/867001245.db2.gz QJOREHGQPFJISS-QGZVFWFLSA-N 2 1 321.440 1.923 20 10 DDCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205673365 871686747 /nfs/dbraw/zinc/68/67/47/871686747.db2.gz PWBPYFFNLYJUSW-GOSISDBHSA-N 2 1 319.449 1.199 20 10 DDCDMP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205726903 871756246 /nfs/dbraw/zinc/75/62/46/871756246.db2.gz ZPUPYUSVMXLMJH-OAHLLOKOSA-N 2 1 314.813 1.730 20 10 DDCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205726903 871756261 /nfs/dbraw/zinc/75/62/61/871756261.db2.gz ZPUPYUSVMXLMJH-OAHLLOKOSA-N 2 1 314.813 1.730 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1O ZINC001355364497 878521950 /nfs/dbraw/zinc/52/19/50/878521950.db2.gz XCZRAZDOPVIJKQ-GUYCJALGSA-N 2 1 307.413 1.390 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1O ZINC001355364497 878521958 /nfs/dbraw/zinc/52/19/58/878521958.db2.gz XCZRAZDOPVIJKQ-GUYCJALGSA-N 2 1 307.413 1.390 20 10 DDCDMP Cc1cc(F)cc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1O ZINC001238068828 890012295 /nfs/dbraw/zinc/01/22/95/890012295.db2.gz GBKGBZFLPJYBTK-UHFFFAOYSA-N 2 1 323.412 1.436 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000185341381 408797885 /nfs/dbraw/zinc/79/78/85/408797885.db2.gz AZGAAYIYLNOKHJ-ZDUSSCGKSA-N 2 1 321.421 1.216 20 10 DDCDMP CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1O ZINC000321453026 698728007 /nfs/dbraw/zinc/72/80/07/698728007.db2.gz XOGPASHDMHJPKF-AWEZNQCLSA-N 2 1 321.421 1.078 20 10 DDCDMP Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841085469 702340108 /nfs/dbraw/zinc/34/01/08/702340108.db2.gz DKYKNMUVVWXFGK-GFCCVEGCSA-N 2 1 315.211 1.623 20 10 DDCDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC000842474925 702725074 /nfs/dbraw/zinc/72/50/74/702725074.db2.gz GCHUMEGGANDKOJ-OAHLLOKOSA-N 2 1 321.396 1.213 20 10 DDCDMP O=C([C@H]1CCC[N@H+](Cc2ccccc2O)C1)N1CC[NH2+]CC1 ZINC000843046765 702808000 /nfs/dbraw/zinc/80/80/00/702808000.db2.gz BHWBXUNWKMCDSN-HNNXBMFYSA-N 2 1 303.406 1.036 20 10 DDCDMP COc1c(O)c(C[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000873221052 707774255 /nfs/dbraw/zinc/77/42/55/707774255.db2.gz YQRPERSGFIGNFQ-SNVBAGLBSA-N 2 1 309.366 1.787 20 10 DDCDMP COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)cc(C[NH+](C)C)c1O ZINC001139258786 860338399 /nfs/dbraw/zinc/33/83/99/860338399.db2.gz WGFIOHYEJTXZGD-OKILXGFUSA-N 2 1 318.417 1.873 20 10 DDCDMP COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)cc(C[NH+](C)C)c1O ZINC001139258786 860338406 /nfs/dbraw/zinc/33/84/06/860338406.db2.gz WGFIOHYEJTXZGD-OKILXGFUSA-N 2 1 318.417 1.873 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](F)C[C@H]3CO)cc2)CC1 ZINC001140302000 860615564 /nfs/dbraw/zinc/61/55/64/860615564.db2.gz HCISMJPPVVZHQV-AEFFLSMTSA-N 2 1 321.440 1.733 20 10 DDCDMP COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001203601865 870664113 /nfs/dbraw/zinc/66/41/13/870664113.db2.gz OQOZTNTVOHLMKZ-CQSZACIVSA-N 2 1 321.421 1.043 20 10 DDCDMP COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001203601865 870664124 /nfs/dbraw/zinc/66/41/24/870664124.db2.gz OQOZTNTVOHLMKZ-CQSZACIVSA-N 2 1 321.421 1.043 20 10 DDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001205069368 871352551 /nfs/dbraw/zinc/35/25/51/871352551.db2.gz YNQPANPFISNVGV-YOEHRIQHSA-N 2 1 303.450 1.959 20 10 DDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001205069368 871352571 /nfs/dbraw/zinc/35/25/71/871352571.db2.gz YNQPANPFISNVGV-YOEHRIQHSA-N 2 1 303.450 1.959 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001276516942 873125918 /nfs/dbraw/zinc/12/59/18/873125918.db2.gz WKQVYWRTDPSDCT-OKILXGFUSA-N 2 1 321.421 1.014 20 10 DDCDMP C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349673331 875296252 /nfs/dbraw/zinc/29/62/52/875296252.db2.gz DROLQUULOOIVDT-GDBMZVCRSA-N 2 1 320.456 1.889 20 10 DDCDMP Cc1cc(O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1Cl ZINC001222507449 880523445 /nfs/dbraw/zinc/52/34/45/880523445.db2.gz WHXJTYXMHUQCFO-GJZGRUSLSA-N 2 1 309.841 1.880 20 10 DDCDMP Cc1cccc(O)c1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001237488043 889665236 /nfs/dbraw/zinc/66/52/36/889665236.db2.gz PWVWFKGUNIIIDA-UHFFFAOYSA-N 2 1 305.422 1.297 20 10 DDCDMP COc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c(OC)c1 ZINC001237680877 889801669 /nfs/dbraw/zinc/80/16/69/889801669.db2.gz MWPBEBFIHWTNJK-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c(OC)c1 ZINC001237680877 889801699 /nfs/dbraw/zinc/80/16/99/889801699.db2.gz MWPBEBFIHWTNJK-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c(OC)c1 ZINC001237680877 889801710 /nfs/dbraw/zinc/80/17/10/889801710.db2.gz MWPBEBFIHWTNJK-QGZVFWFLSA-N 2 1 306.406 1.937 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246788153 892899818 /nfs/dbraw/zinc/89/98/18/892899818.db2.gz FZCBFKALAWGNMV-SFHVURJKSA-N 2 1 314.477 1.813 20 10 DDCDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1(C)C ZINC000282214375 409012328 /nfs/dbraw/zinc/01/23/28/409012328.db2.gz DNKPYARVQPHIJB-UHFFFAOYSA-N 2 1 303.450 1.737 20 10 DDCDMP CN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000775709374 698025286 /nfs/dbraw/zinc/02/52/86/698025286.db2.gz GOBLXQPACZGJFX-QGZVFWFLSA-N 2 1 316.449 1.101 20 10 DDCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000756550928 700627575 /nfs/dbraw/zinc/62/75/75/700627575.db2.gz UNZLAAMZERWXGP-CABCVRRESA-N 2 1 319.449 1.939 20 10 DDCDMP COc1cccc(O)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000768198798 701162935 /nfs/dbraw/zinc/16/29/35/701162935.db2.gz PIQOSYKPGBOOND-UHFFFAOYSA-N 2 1 319.449 1.614 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)[C@@H](O)CO2 ZINC000768445638 701177639 /nfs/dbraw/zinc/17/76/39/701177639.db2.gz HWNPARMXXCDYSW-GUYCJALGSA-N 2 1 318.417 1.736 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)[C@@H](O)CO2 ZINC000768445638 701177640 /nfs/dbraw/zinc/17/76/40/701177640.db2.gz HWNPARMXXCDYSW-GUYCJALGSA-N 2 1 318.417 1.736 20 10 DDCDMP COc1c(O)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841035039 702317888 /nfs/dbraw/zinc/31/78/88/702317888.db2.gz YQEVAIWNUFMOTO-GHMZBOCLSA-N 2 1 309.366 1.787 20 10 DDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000841101212 702347299 /nfs/dbraw/zinc/34/72/99/702347299.db2.gz RXUOPXNVPSPUKL-QGZVFWFLSA-N 2 1 305.422 1.073 20 10 DDCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895841 702512047 /nfs/dbraw/zinc/51/20/47/702512047.db2.gz WXEQIIYPFMDFTE-MSOLQXFVSA-N 2 1 303.450 1.865 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843053120 702809167 /nfs/dbraw/zinc/80/91/67/702809167.db2.gz YOJASJVHJKKLNC-XJKSGUPXSA-N 2 1 307.413 1.831 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843053120 702809170 /nfs/dbraw/zinc/80/91/70/702809170.db2.gz YOJASJVHJKKLNC-XJKSGUPXSA-N 2 1 307.413 1.831 20 10 DDCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123616 702824139 /nfs/dbraw/zinc/82/41/39/702824139.db2.gz SXMBOCNPKHIIET-GNAXCBTBSA-N 2 1 314.477 1.745 20 10 DDCDMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125196 702824913 /nfs/dbraw/zinc/82/49/13/702824913.db2.gz NUGNWUYQCCXSPQ-OAHLLOKOSA-N 2 1 320.433 1.978 20 10 DDCDMP Cc1cccc(O)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000876790229 705878126 /nfs/dbraw/zinc/87/81/26/705878126.db2.gz WTXMCDQYABPSAX-INIZCTEOSA-N 2 1 317.433 1.439 20 10 DDCDMP Cc1cccc(O)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000876790229 705878127 /nfs/dbraw/zinc/87/81/27/705878127.db2.gz WTXMCDQYABPSAX-INIZCTEOSA-N 2 1 317.433 1.439 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(COC4)C3)cc2)CC1 ZINC000827646032 706042453 /nfs/dbraw/zinc/04/24/53/706042453.db2.gz YMMCQFBCEDDCAO-UHFFFAOYSA-N 2 1 301.434 1.661 20 10 DDCDMP Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1N(C)C ZINC000878865778 706519727 /nfs/dbraw/zinc/51/97/27/706519727.db2.gz MRKTVPSAOZNMIK-SFHVURJKSA-N 2 1 305.466 1.950 20 10 DDCDMP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1N(C)C ZINC000878865778 706519729 /nfs/dbraw/zinc/51/97/29/706519729.db2.gz MRKTVPSAOZNMIK-SFHVURJKSA-N 2 1 305.466 1.950 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1Cl ZINC001205687971 746533103 /nfs/dbraw/zinc/53/31/03/746533103.db2.gz CCDNNJUPPUDMHJ-OAHLLOKOSA-N 2 1 314.813 1.730 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1Cl ZINC001205687971 746533106 /nfs/dbraw/zinc/53/31/06/746533106.db2.gz CCDNNJUPPUDMHJ-OAHLLOKOSA-N 2 1 314.813 1.730 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001275275921 852945088 /nfs/dbraw/zinc/94/50/88/852945088.db2.gz BWHVGWYEJYFZBU-UHFFFAOYSA-N 2 1 309.841 1.725 20 10 DDCDMP COc1cc(C[N@H+]2CCOC[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253099 860336778 /nfs/dbraw/zinc/33/67/78/860336778.db2.gz LQNHKMYANLSGQE-ZDUSSCGKSA-N 2 1 308.422 1.931 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](F)[C@@H](OC)C3)cc2)CC1 ZINC001140302054 860614817 /nfs/dbraw/zinc/61/48/17/860614817.db2.gz IZCWFOFKQQQHAJ-ROUUACIJSA-N 2 1 321.440 1.997 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](F)[C@@H](OC)C3)cc2)CC1 ZINC001140302054 860614821 /nfs/dbraw/zinc/61/48/21/860614821.db2.gz IZCWFOFKQQQHAJ-ROUUACIJSA-N 2 1 321.440 1.997 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCC(=O)OC)cc2)CC1 ZINC001140309788 860616185 /nfs/dbraw/zinc/61/61/85/860616185.db2.gz UQOBXYBNSSSPHK-UHFFFAOYSA-N 2 1 319.449 1.823 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)CC3)cc2F)CC1 ZINC001324289484 867183071 /nfs/dbraw/zinc/18/30/71/867183071.db2.gz ABQWJWBQBLVOJN-MRXNPFEDSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)CC3)cc2F)CC1 ZINC001324289484 867183075 /nfs/dbraw/zinc/18/30/75/867183075.db2.gz ABQWJWBQBLVOJN-MRXNPFEDSA-N 2 1 321.440 1.924 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1C[NH3+] ZINC001205304257 871490158 /nfs/dbraw/zinc/49/01/58/871490158.db2.gz NJLCYXNHKGZLJN-NVXWUHKLSA-N 3 1 302.466 1.513 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651211 871676086 /nfs/dbraw/zinc/67/60/86/871676086.db2.gz BBNBYUOXWRDSRH-UONOGXRCSA-N 3 1 319.449 1.681 20 10 DDCDMP C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651211 871676098 /nfs/dbraw/zinc/67/60/98/871676098.db2.gz BBNBYUOXWRDSRH-UONOGXRCSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651211 871676103 /nfs/dbraw/zinc/67/61/03/871676103.db2.gz BBNBYUOXWRDSRH-UONOGXRCSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@@H]1CC[C@H](CN)[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828552 871841718 /nfs/dbraw/zinc/84/17/18/871841718.db2.gz LWEZHWUYKYERGR-CRAIPNDOSA-N 2 1 302.466 1.655 20 10 DDCDMP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828552 871841737 /nfs/dbraw/zinc/84/17/37/871841737.db2.gz LWEZHWUYKYERGR-CRAIPNDOSA-N 2 1 302.466 1.655 20 10 DDCDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828552 871841755 /nfs/dbraw/zinc/84/17/55/871841755.db2.gz LWEZHWUYKYERGR-CRAIPNDOSA-N 3 1 302.466 1.655 20 10 DDCDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205828552 871841771 /nfs/dbraw/zinc/84/17/71/871841771.db2.gz LWEZHWUYKYERGR-CRAIPNDOSA-N 3 1 302.466 1.655 20 10 DDCDMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001206808749 872610595 /nfs/dbraw/zinc/61/05/95/872610595.db2.gz KFHXYVRKTKXEPK-QWHCGFSZSA-N 3 1 305.422 1.433 20 10 DDCDMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179583441 407811166 /nfs/dbraw/zinc/81/11/66/407811166.db2.gz JDDHLRBVRJGIHX-HNNXBMFYSA-N 2 1 303.406 1.131 20 10 DDCDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179583441 407811172 /nfs/dbraw/zinc/81/11/72/407811172.db2.gz JDDHLRBVRJGIHX-HNNXBMFYSA-N 2 1 303.406 1.131 20 10 DDCDMP CC[N@@H+](CCC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775663218 698020598 /nfs/dbraw/zinc/02/05/98/698020598.db2.gz LGXJJLFOFXWOSG-UHFFFAOYSA-N 2 1 319.449 1.823 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000775746073 698028954 /nfs/dbraw/zinc/02/89/54/698028954.db2.gz AIDVUADOEJIKFP-IRXDYDNUSA-N 2 1 300.450 1.090 20 10 DDCDMP CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841006912 702307397 /nfs/dbraw/zinc/30/73/97/702307397.db2.gz KMRHDYDLTMCXJZ-HNNXBMFYSA-N 2 1 319.449 1.802 20 10 DDCDMP C[C@@H]1C[C@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000841062950 702331529 /nfs/dbraw/zinc/33/15/29/702331529.db2.gz ZTDFAXLSARHBJS-NVXWUHKLSA-N 2 1 302.466 1.669 20 10 DDCDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846704552 703321473 /nfs/dbraw/zinc/32/14/73/703321473.db2.gz VHXAKYDMNWSXFH-NVXWUHKLSA-N 3 1 302.466 1.750 20 10 DDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC000931442928 714099704 /nfs/dbraw/zinc/09/97/04/714099704.db2.gz QEEZJYCHAIEEOV-MSOLQXFVSA-N 2 1 315.461 1.907 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC000931442928 714099706 /nfs/dbraw/zinc/09/97/06/714099706.db2.gz QEEZJYCHAIEEOV-MSOLQXFVSA-N 2 1 315.461 1.907 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC000931442928 714099708 /nfs/dbraw/zinc/09/97/08/714099708.db2.gz QEEZJYCHAIEEOV-MSOLQXFVSA-N 2 1 315.461 1.907 20 10 DDCDMP C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001119610646 781535456 /nfs/dbraw/zinc/53/54/56/781535456.db2.gz BRFUPNXTMFSUQT-CZUORRHYSA-N 2 1 306.429 1.275 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](F)C[C@@H](CO)C3)cc2)CC1 ZINC001139408645 860390331 /nfs/dbraw/zinc/39/03/31/860390331.db2.gz OGUQRCQIDOINLR-IAGOWNOFSA-N 2 1 321.440 1.591 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC001332473096 865865064 /nfs/dbraw/zinc/86/50/64/865865064.db2.gz FSMPBTKGNULXSG-HNNXBMFYSA-N 2 1 306.429 1.501 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)CC3)cc2F)CC1 ZINC001324289483 867181500 /nfs/dbraw/zinc/18/15/00/867181500.db2.gz ABQWJWBQBLVOJN-INIZCTEOSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](O)CC3)cc2F)CC1 ZINC001324289483 867181515 /nfs/dbraw/zinc/18/15/15/867181515.db2.gz ABQWJWBQBLVOJN-INIZCTEOSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)C3)cc2F)CC1 ZINC001341553565 871710720 /nfs/dbraw/zinc/71/07/20/871710720.db2.gz NZDBUGVDGCXAEO-OAHLLOKOSA-N 2 1 307.413 1.392 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)C3)cc2F)CC1 ZINC001341553565 871710734 /nfs/dbraw/zinc/71/07/34/871710734.db2.gz NZDBUGVDGCXAEO-OAHLLOKOSA-N 2 1 307.413 1.392 20 10 DDCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205912959 871923749 /nfs/dbraw/zinc/92/37/49/871923749.db2.gz FKIREZCQJZRGLV-CABCVRRESA-N 3 1 318.465 1.361 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(O)c1 ZINC001206646303 872493052 /nfs/dbraw/zinc/49/30/52/872493052.db2.gz AJLYZZWUXBLKJC-AWEZNQCLSA-N 2 1 306.406 1.669 20 10 DDCDMP CN(C)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(Cl)c1 ZINC001234992321 888317243 /nfs/dbraw/zinc/31/72/43/888317243.db2.gz YJYKLXIQDZMSMR-INIZCTEOSA-N 2 1 308.857 1.543 20 10 DDCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236420554 889229846 /nfs/dbraw/zinc/22/98/46/889229846.db2.gz PJWPXYZJEOQGGA-CJNGLKHVSA-N 3 1 304.438 1.113 20 10 DDCDMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236420554 889229860 /nfs/dbraw/zinc/22/98/60/889229860.db2.gz PJWPXYZJEOQGGA-CJNGLKHVSA-N 3 1 304.438 1.113 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000362376482 529780329 /nfs/dbraw/zinc/78/03/29/529780329.db2.gz OYBUTHVFNLFNQO-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000362376482 529780331 /nfs/dbraw/zinc/78/03/31/529780331.db2.gz OYBUTHVFNLFNQO-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP COc1cccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000290250195 409334605 /nfs/dbraw/zinc/33/46/05/409334605.db2.gz VRPPKOWYZCJFOV-UHFFFAOYSA-N 2 1 309.454 1.716 20 10 DDCDMP C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776521152 698112547 /nfs/dbraw/zinc/11/25/47/698112547.db2.gz LAYJWQOSNMQSAI-QRQCRPRQSA-N 2 1 323.506 1.637 20 10 DDCDMP CC[C@@]1(O)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779217890 698403096 /nfs/dbraw/zinc/40/30/96/698403096.db2.gz CWOZPPPMKXNNJS-GOSISDBHSA-N 2 1 303.450 1.785 20 10 DDCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000756550934 700627614 /nfs/dbraw/zinc/62/76/14/700627614.db2.gz UNZLAAMZERWXGP-LSDHHAIUSA-N 2 1 319.449 1.939 20 10 DDCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894492 702511732 /nfs/dbraw/zinc/51/17/32/702511732.db2.gz LKLUHXFKLATZAF-HZPDHXFCSA-N 2 1 307.413 1.756 20 10 DDCDMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000843048775 702807739 /nfs/dbraw/zinc/80/77/39/702807739.db2.gz XTTVFVWLZXPWBU-INIZCTEOSA-N 2 1 316.493 1.998 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843053109 702809113 /nfs/dbraw/zinc/80/91/13/702809113.db2.gz YOJASJVHJKKLNC-CZUORRHYSA-N 2 1 307.413 1.831 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843053109 702809114 /nfs/dbraw/zinc/80/91/14/702809114.db2.gz YOJASJVHJKKLNC-CZUORRHYSA-N 2 1 307.413 1.831 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000876506255 705738264 /nfs/dbraw/zinc/73/82/64/705738264.db2.gz HRYAMVFOBPQGDA-XJKSGUPXSA-N 2 1 304.438 1.210 20 10 DDCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]21 ZINC000872722051 707571118 /nfs/dbraw/zinc/57/11/18/707571118.db2.gz BIQAVNIIPYXFQK-DJSGYFEHSA-N 2 1 304.390 1.344 20 10 DDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]21 ZINC000872722051 707571121 /nfs/dbraw/zinc/57/11/21/707571121.db2.gz BIQAVNIIPYXFQK-DJSGYFEHSA-N 2 1 304.390 1.344 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]21 ZINC000872722051 707571124 /nfs/dbraw/zinc/57/11/24/707571124.db2.gz BIQAVNIIPYXFQK-DJSGYFEHSA-N 2 1 304.390 1.344 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]21 ZINC000872722051 707571127 /nfs/dbraw/zinc/57/11/27/707571127.db2.gz BIQAVNIIPYXFQK-DJSGYFEHSA-N 2 1 304.390 1.344 20 10 DDCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C2)cc1 ZINC000925710951 714919422 /nfs/dbraw/zinc/91/94/22/714919422.db2.gz CPJFYJNFOYABNY-RHKYWUDLSA-N 2 1 313.445 1.860 20 10 DDCDMP [NH3+]C1CCN(c2nc(NCc3ccc(O)c(O)c3)cc[nH+]2)CC1 ZINC001169990853 763535689 /nfs/dbraw/zinc/53/56/89/763535689.db2.gz RRRBHFIFTAGSEK-UHFFFAOYSA-N 2 1 315.377 1.427 20 10 DDCDMP COc1ccc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)cc1C ZINC001267117722 837383313 /nfs/dbraw/zinc/38/33/13/837383313.db2.gz VSBLIYJMSPCJDE-UHFFFAOYSA-N 2 1 321.465 1.892 20 10 DDCDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001275419420 853094092 /nfs/dbraw/zinc/09/40/92/853094092.db2.gz YDSYUCXBYYOCMF-MQVJKMGUSA-N 2 1 319.449 1.744 20 10 DDCDMP COc1cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139256144 860338474 /nfs/dbraw/zinc/33/84/74/860338474.db2.gz VBHKNQZLYCPQGY-DOMZBBRYSA-N 2 1 308.422 1.808 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)C3(C)C)cc2F)CC1 ZINC001320472788 866762987 /nfs/dbraw/zinc/76/29/87/866762987.db2.gz PCGZIUKPJWEPNI-DLBZAZTESA-N 2 1 321.440 1.827 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOC3)cc2F)CC1 ZINC001324115069 867079192 /nfs/dbraw/zinc/07/91/92/867079192.db2.gz HVGOIEBZDOAZKW-HNNXBMFYSA-N 2 1 307.413 1.846 20 10 DDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205110702 871370941 /nfs/dbraw/zinc/37/09/41/871370941.db2.gz YMDOLYJZQJHOKA-MRXNPFEDSA-N 2 1 303.450 1.961 20 10 DDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@H]1O ZINC001205973238 871966145 /nfs/dbraw/zinc/96/61/45/871966145.db2.gz MARNZAOKQYLBKF-DGCLKSJQSA-N 2 1 320.311 1.227 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@H]1O ZINC001205973238 871966148 /nfs/dbraw/zinc/96/61/48/871966148.db2.gz MARNZAOKQYLBKF-DGCLKSJQSA-N 2 1 320.311 1.227 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)C3CC3)cc2F)CC1 ZINC001318435987 872037109 /nfs/dbraw/zinc/03/71/09/872037109.db2.gz AIWJQOSSLUHFSW-SFHVURJKSA-N 2 1 321.440 1.828 20 10 DDCDMP CCO[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1C[NH3+] ZINC000405576964 877183889 /nfs/dbraw/zinc/18/38/89/877183889.db2.gz IYTXYXVLSHOQLR-BXUZGUMPSA-N 2 1 314.813 1.850 20 10 DDCDMP CCO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1C[NH3+] ZINC000405576964 877183898 /nfs/dbraw/zinc/18/38/98/877183898.db2.gz IYTXYXVLSHOQLR-BXUZGUMPSA-N 2 1 314.813 1.850 20 10 DDCDMP C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001276876414 880894985 /nfs/dbraw/zinc/89/49/85/880894985.db2.gz XGXCULIXIROBBF-OALUTQOASA-N 2 1 314.477 1.717 20 10 DDCDMP CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001276876414 880894997 /nfs/dbraw/zinc/89/49/97/880894997.db2.gz XGXCULIXIROBBF-OALUTQOASA-N 2 1 314.477 1.717 20 10 DDCDMP CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001276876414 880895011 /nfs/dbraw/zinc/89/50/11/880895011.db2.gz XGXCULIXIROBBF-OALUTQOASA-N 2 1 314.477 1.717 20 10 DDCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C(F)(F)F)cc1O ZINC001236082013 889097082 /nfs/dbraw/zinc/09/70/82/889097082.db2.gz VGWHFCMSBGWIBK-UHFFFAOYSA-N 2 1 317.355 1.748 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224326 889148659 /nfs/dbraw/zinc/14/86/59/889148659.db2.gz SYAZDYRIADXMKV-QAQDUYKDSA-N 3 1 302.466 1.798 20 10 DDCDMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CCC12C[NH2+]C2 ZINC001237431122 889625493 /nfs/dbraw/zinc/62/54/93/889625493.db2.gz NSXZHVLYPHIYHU-HNNXBMFYSA-N 2 1 303.406 1.243 20 10 DDCDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000277710991 408997017 /nfs/dbraw/zinc/99/70/17/408997017.db2.gz IQICOYLSESOQKF-CYBMUJFWSA-N 2 1 322.405 1.711 20 10 DDCDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000277710991 408997020 /nfs/dbraw/zinc/99/70/20/408997020.db2.gz IQICOYLSESOQKF-CYBMUJFWSA-N 2 1 322.405 1.711 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000775712802 698024862 /nfs/dbraw/zinc/02/48/62/698024862.db2.gz ITITUHQTCCSRDU-GOSISDBHSA-N 2 1 303.450 1.785 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)C(C)(C)C3)cc2)CC1 ZINC000790937130 699604034 /nfs/dbraw/zinc/60/40/34/699604034.db2.gz JGBXAFFNGSIUAB-QGZVFWFLSA-N 2 1 303.450 1.641 20 10 DDCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000762568652 700898583 /nfs/dbraw/zinc/89/85/83/700898583.db2.gz MMSSCCZXDOLPOT-SFHVURJKSA-N 2 1 303.450 1.833 20 10 DDCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000762568652 700898584 /nfs/dbraw/zinc/89/85/84/700898584.db2.gz MMSSCCZXDOLPOT-SFHVURJKSA-N 2 1 303.450 1.833 20 10 DDCDMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(N2CCOCC2)cc1 ZINC000844220679 702995350 /nfs/dbraw/zinc/99/53/50/702995350.db2.gz JOVBUOSPXYTUOD-INIZCTEOSA-N 2 1 303.450 1.955 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000846145119 703242235 /nfs/dbraw/zinc/24/22/35/703242235.db2.gz LQYFFDIDNAAGCT-IHRRRGAJSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000846145119 703242236 /nfs/dbraw/zinc/24/22/36/703242236.db2.gz LQYFFDIDNAAGCT-IHRRRGAJSA-N 2 1 306.406 1.915 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@H](F)C3)cc2)CC1 ZINC000898187413 708568704 /nfs/dbraw/zinc/56/87/04/708568704.db2.gz JIFUGFFVVOMJCT-SJORKVTESA-N 2 1 307.413 1.343 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@H](F)C3)cc2)CC1 ZINC000898187413 708568708 /nfs/dbraw/zinc/56/87/08/708568708.db2.gz JIFUGFFVVOMJCT-SJORKVTESA-N 2 1 307.413 1.343 20 10 DDCDMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922214101 713993589 /nfs/dbraw/zinc/99/35/89/713993589.db2.gz JVMFBUVNZYZTFH-UHFFFAOYSA-N 2 1 304.434 1.948 20 10 DDCDMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C[NH3+] ZINC000923496109 714378341 /nfs/dbraw/zinc/37/83/41/714378341.db2.gz GRMPCIZRDCZEMW-HOCLYGCPSA-N 2 1 318.465 1.286 20 10 DDCDMP NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000925776734 714933668 /nfs/dbraw/zinc/93/36/68/714933668.db2.gz IGLGICAPCRUUAA-SJORKVTESA-N 2 1 316.449 1.358 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cc1 ZINC001275834098 853842138 /nfs/dbraw/zinc/84/21/38/853842138.db2.gz VNVHXWFYOHHZBW-MJGOQNOKSA-N 2 1 316.493 1.820 20 10 DDCDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1O ZINC001203675507 870705348 /nfs/dbraw/zinc/70/53/48/870705348.db2.gz ZDHYQRVKSJXIHW-UHFFFAOYSA-N 2 1 324.421 1.718 20 10 DDCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1O ZINC001203675507 870705366 /nfs/dbraw/zinc/70/53/66/870705366.db2.gz ZDHYQRVKSJXIHW-UHFFFAOYSA-N 2 1 324.421 1.718 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1[NH3+] ZINC001206058577 872022768 /nfs/dbraw/zinc/02/27/68/872022768.db2.gz HDBIQVKTWWRALG-MLGOLLRUSA-N 2 1 301.434 1.870 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1[NH3+] ZINC001206058577 872022787 /nfs/dbraw/zinc/02/27/87/872022787.db2.gz HDBIQVKTWWRALG-MLGOLLRUSA-N 2 1 301.434 1.870 20 10 DDCDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349326100 875113204 /nfs/dbraw/zinc/11/32/04/875113204.db2.gz SZUSDBCJNGYVMH-KBPBESRZSA-N 3 1 308.445 1.793 20 10 DDCDMP CN1CCOc2cc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)ccc21 ZINC001222502491 880516144 /nfs/dbraw/zinc/51/61/44/880516144.db2.gz KZFUGMMNPCINMZ-HOTGVXAUSA-N 2 1 316.449 1.041 20 10 DDCDMP C[NH+]1CCN(C2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)CC1 ZINC001233485440 887019962 /nfs/dbraw/zinc/01/99/62/887019962.db2.gz WBKXMDUNKBYUDJ-UHFFFAOYSA-N 2 1 321.421 1.015 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1CCC[NH2+]C1 ZINC001235956259 889028555 /nfs/dbraw/zinc/02/85/55/889028555.db2.gz BLRZBYHPMPIJEH-HNNXBMFYSA-N 3 1 318.465 1.233 20 10 DDCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128324053 696778358 /nfs/dbraw/zinc/77/83/58/696778358.db2.gz ZMQXRDPYFYSPDU-LLVKDONJSA-N 2 1 311.813 1.333 20 10 DDCDMP CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775658576 698019985 /nfs/dbraw/zinc/01/99/85/698019985.db2.gz NHEIJOFTGJCMOK-QGZVFWFLSA-N 2 1 316.449 1.149 20 10 DDCDMP C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000780784047 698559471 /nfs/dbraw/zinc/55/94/71/698559471.db2.gz DZPYGPNFJBETFZ-NVXWUHKLSA-N 2 1 303.450 1.641 20 10 DDCDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)ccc1O ZINC000756551625 700627570 /nfs/dbraw/zinc/62/75/70/700627570.db2.gz VYMNABGMMPMYMK-CHWSQXEVSA-N 2 1 323.412 1.769 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000841031745 702317064 /nfs/dbraw/zinc/31/70/64/702317064.db2.gz WJSHGWIJBLBSLD-WMZOPIPTSA-N 2 1 302.466 1.655 20 10 DDCDMP COc1c(O)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000841072102 702336099 /nfs/dbraw/zinc/33/60/99/702336099.db2.gz GOIRDZIAHDQCDN-GFCCVEGCSA-N 2 1 309.366 1.787 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000843122048 702824378 /nfs/dbraw/zinc/82/43/78/702824378.db2.gz OFGICBCRIGNOQC-HNNXBMFYSA-N 2 1 305.422 1.520 20 10 DDCDMP Cc1cc(O)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000843124662 702824659 /nfs/dbraw/zinc/82/46/59/702824659.db2.gz JEUASOMLOGYZKS-ZDUSSCGKSA-N 2 1 309.841 1.834 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@](C)(CN)C2CC2)cc1 ZINC000844221056 702995845 /nfs/dbraw/zinc/99/58/45/702995845.db2.gz ROFZPKZIMOHALB-SFHVURJKSA-N 2 1 318.465 1.428 20 10 DDCDMP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903884533 711316285 /nfs/dbraw/zinc/31/62/85/711316285.db2.gz BYCSCSSGXSKEOI-CQSZACIVSA-N 2 1 301.394 1.540 20 10 DDCDMP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903884533 711316287 /nfs/dbraw/zinc/31/62/87/711316287.db2.gz BYCSCSSGXSKEOI-CQSZACIVSA-N 2 1 301.394 1.540 20 10 DDCDMP CCOc1cccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c1O ZINC001275271410 852944484 /nfs/dbraw/zinc/94/44/84/852944484.db2.gz UFGSOOCXNNWAEX-UHFFFAOYSA-N 2 1 319.449 1.613 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001275821103 853813845 /nfs/dbraw/zinc/81/38/45/853813845.db2.gz IMHDWHVKGUFGFT-UHFFFAOYSA-N 2 1 319.449 1.557 20 10 DDCDMP COc1cc(C[N@H+]2[C@@H](C)CC[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139254350 860337224 /nfs/dbraw/zinc/33/72/24/860337224.db2.gz HVWKMXCEVZWQAU-WFASDCNBSA-N 2 1 308.422 1.808 20 10 DDCDMP Cc1ccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(O)c1 ZINC001140950966 860744443 /nfs/dbraw/zinc/74/44/43/860744443.db2.gz RCVXVYFHRZLQNJ-UHFFFAOYSA-N 2 1 305.422 1.297 20 10 DDCDMP C[C@H]1[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCN1C ZINC001332351012 865781221 /nfs/dbraw/zinc/78/12/21/865781221.db2.gz BBTONAALCIMKAX-YOEHRIQHSA-N 2 1 320.456 1.760 20 10 DDCDMP CN1CCOc2cc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)ccc21 ZINC001205231181 871449322 /nfs/dbraw/zinc/44/93/22/871449322.db2.gz XLIQYEFYCJVUNN-QGZVFWFLSA-N 2 1 305.422 1.191 20 10 DDCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205912542 871923265 /nfs/dbraw/zinc/92/32/65/871923265.db2.gz AZSPGNBISRBUKP-STQMWFEESA-N 3 1 305.422 1.433 20 10 DDCDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349326106 875113645 /nfs/dbraw/zinc/11/36/45/875113645.db2.gz SZUSDBCJNGYVMH-ZIAGYGMSSA-N 3 1 308.445 1.793 20 10 DDCDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349326104 875113693 /nfs/dbraw/zinc/11/36/93/875113693.db2.gz SZUSDBCJNGYVMH-UONOGXRCSA-N 3 1 308.445 1.793 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235271818 888518899 /nfs/dbraw/zinc/51/88/99/888518899.db2.gz PCMAWHOUPRZXBV-FUHWJXTLSA-N 3 1 300.450 1.280 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235271818 888518908 /nfs/dbraw/zinc/51/89/08/888518908.db2.gz PCMAWHOUPRZXBV-FUHWJXTLSA-N 2 1 300.450 1.280 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217199 889145312 /nfs/dbraw/zinc/14/53/12/889145312.db2.gz NPAYWCVUPWXDKZ-QZTJIDSGSA-N 3 1 302.466 1.798 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217199 889145318 /nfs/dbraw/zinc/14/53/18/889145318.db2.gz NPAYWCVUPWXDKZ-QZTJIDSGSA-N 3 1 302.466 1.798 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CC[C@@H]4C3)c(F)c2)CC1 ZINC001236944140 889435028 /nfs/dbraw/zinc/43/50/28/889435028.db2.gz DAPOPCSLRBENFI-QGZVFWFLSA-N 2 1 318.440 1.467 20 10 DDCDMP COc1cccc(O)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799347114 700138053 /nfs/dbraw/zinc/13/80/53/700138053.db2.gz XGANNCZCUMYLQR-UHFFFAOYSA-N 2 1 307.438 1.516 20 10 DDCDMP COc1cc(Cl)cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000229103439 697777099 /nfs/dbraw/zinc/77/70/99/697777099.db2.gz OBSGVVBTOORMMC-UHFFFAOYSA-N 2 1 313.829 1.391 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1O ZINC000779199930 698401301 /nfs/dbraw/zinc/40/13/01/698401301.db2.gz NCGJSCGSJHDSIU-QAPCUYQASA-N 2 1 303.450 1.641 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)C3CCC3)cc2)CC1 ZINC000784673998 699034166 /nfs/dbraw/zinc/03/41/66/699034166.db2.gz XJZYXRUNHIDADW-UHFFFAOYSA-N 2 1 303.450 1.785 20 10 DDCDMP CCOc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1O ZINC000729683895 699485020 /nfs/dbraw/zinc/48/50/20/699485020.db2.gz FVBAWTLZSAWIJS-UHFFFAOYSA-N 2 1 321.465 1.908 20 10 DDCDMP COc1c(O)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000841072103 702336145 /nfs/dbraw/zinc/33/61/45/702336145.db2.gz GOIRDZIAHDQCDN-LBPRGKRZSA-N 2 1 309.366 1.787 20 10 DDCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000843051674 702808873 /nfs/dbraw/zinc/80/88/73/702808873.db2.gz BQUNXQPSWSXZIC-PLNGDYQASA-N 2 1 302.466 1.603 20 10 DDCDMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844613 703341221 /nfs/dbraw/zinc/34/12/21/703341221.db2.gz HSMPDMHOGZCRGL-QAPCUYQASA-N 2 1 321.465 1.486 20 10 DDCDMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844613 703341223 /nfs/dbraw/zinc/34/12/23/703341223.db2.gz HSMPDMHOGZCRGL-QAPCUYQASA-N 2 1 321.465 1.486 20 10 DDCDMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864790 711308447 /nfs/dbraw/zinc/30/84/47/711308447.db2.gz XAVMOFMCBPNHOJ-FUHWJXTLSA-N 2 1 301.434 1.836 20 10 DDCDMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864790 711308450 /nfs/dbraw/zinc/30/84/50/711308450.db2.gz XAVMOFMCBPNHOJ-FUHWJXTLSA-N 2 1 301.434 1.836 20 10 DDCDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000922388375 714037239 /nfs/dbraw/zinc/03/72/39/714037239.db2.gz PIVPDPDAKUQGMA-BGTYHANMSA-N 2 1 304.434 1.962 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1Cl ZINC001205687968 746533128 /nfs/dbraw/zinc/53/31/28/746533128.db2.gz CCDNNJUPPUDMHJ-HNNXBMFYSA-N 2 1 314.813 1.730 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1Cl ZINC001205687968 746533132 /nfs/dbraw/zinc/53/31/32/746533132.db2.gz CCDNNJUPPUDMHJ-HNNXBMFYSA-N 2 1 314.813 1.730 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@](C)(CO)C2)cc(C[NH+](C)C)c1O ZINC001139253990 757214753 /nfs/dbraw/zinc/21/47/53/757214753.db2.gz AIMRGPNLQPVRGC-QGZVFWFLSA-N 2 1 308.422 1.667 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CCO)cc2F)CC1 ZINC001328091535 862686932 /nfs/dbraw/zinc/68/69/32/862686932.db2.gz OUYNODWZAKZKSQ-MRXNPFEDSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CCO)cc2F)CC1 ZINC001328091535 862686940 /nfs/dbraw/zinc/68/69/40/862686940.db2.gz OUYNODWZAKZKSQ-MRXNPFEDSA-N 2 1 321.440 1.924 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139261036 860340791 /nfs/dbraw/zinc/34/07/91/860340791.db2.gz SKSGDUZELVFVLE-QGZVFWFLSA-N 2 1 306.406 1.827 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139261036 860340798 /nfs/dbraw/zinc/34/07/98/860340798.db2.gz SKSGDUZELVFVLE-QGZVFWFLSA-N 2 1 306.406 1.827 20 10 DDCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332358709 865787049 /nfs/dbraw/zinc/78/70/49/865787049.db2.gz KOJLMUXVTUDLNS-IBGZPJMESA-N 2 1 314.477 1.766 20 10 DDCDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(O)c1OC ZINC001335433296 868290858 /nfs/dbraw/zinc/29/08/58/868290858.db2.gz PBPSZKQZJXOYLA-LBPRGKRZSA-N 2 1 306.406 1.983 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1C[NH3+] ZINC001205304261 871490196 /nfs/dbraw/zinc/49/01/96/871490196.db2.gz NJLCYXNHKGZLJN-WBVHZDCISA-N 3 1 302.466 1.513 20 10 DDCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492346 880507450 /nfs/dbraw/zinc/50/74/50/880507450.db2.gz TXBWWXFLLFMACA-OALUTQOASA-N 2 1 314.477 1.813 20 10 DDCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492346 880507460 /nfs/dbraw/zinc/50/74/60/880507460.db2.gz TXBWWXFLLFMACA-OALUTQOASA-N 2 1 314.477 1.813 20 10 DDCDMP COc1cc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1Cl ZINC001234988536 888310302 /nfs/dbraw/zinc/31/03/02/888310302.db2.gz MNRNNTCUOFOLHK-OAHLLOKOSA-N 2 1 311.813 1.192 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H](O)C3)c(F)c2)CC1 ZINC001236929272 889424946 /nfs/dbraw/zinc/42/49/46/889424946.db2.gz DCTXXUOYAXVSEH-KRWDZBQOSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H](O)C3)c(F)c2)CC1 ZINC001236929273 889425661 /nfs/dbraw/zinc/42/56/61/889425661.db2.gz DCTXXUOYAXVSEH-QGZVFWFLSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C3CCC3)cc2F)CC1 ZINC001261258914 899439068 /nfs/dbraw/zinc/43/90/68/899439068.db2.gz QOSTXZAKOCXJAS-GOSISDBHSA-N 2 1 321.440 1.828 20 10 DDCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000185116115 408761050 /nfs/dbraw/zinc/76/10/50/408761050.db2.gz VKXMQIVBGWRPLU-CYBMUJFWSA-N 2 1 308.422 1.898 20 10 DDCDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000729684199 699485128 /nfs/dbraw/zinc/48/51/28/699485128.db2.gz LGUPKANABOKHRS-UHFFFAOYSA-N 2 1 321.421 1.238 20 10 DDCDMP CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841003561 702306071 /nfs/dbraw/zinc/30/60/71/702306071.db2.gz ZVRUBCNHULYUDX-INIZCTEOSA-N 2 1 318.465 1.382 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843124869 702824431 /nfs/dbraw/zinc/82/44/31/702824431.db2.gz JVKBRHFSSSSTET-INIZCTEOSA-N 2 1 303.450 1.940 20 10 DDCDMP CN(C)c1ccc(/C=C\C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843124536 702824773 /nfs/dbraw/zinc/82/47/73/702824773.db2.gz GOTPMAZTHLCXFB-ZRHASKPBSA-N 2 1 314.477 1.745 20 10 DDCDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3c(cc1O)OCO3)CCO2 ZINC000843431397 702880551 /nfs/dbraw/zinc/88/05/51/702880551.db2.gz FNWSIKDUWHEGJO-UHFFFAOYSA-N 2 1 320.389 1.418 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000844217858 702994300 /nfs/dbraw/zinc/99/43/00/702994300.db2.gz OYFGMISTNVEEOW-MRXNPFEDSA-N 2 1 318.465 1.382 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000844217858 702994301 /nfs/dbraw/zinc/99/43/01/702994301.db2.gz OYFGMISTNVEEOW-MRXNPFEDSA-N 2 1 318.465 1.382 20 10 DDCDMP Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(O)c1O ZINC000855345878 704479951 /nfs/dbraw/zinc/47/99/51/704479951.db2.gz JRAWQPNBGNWEIM-ZDUSSCGKSA-N 2 1 323.437 1.408 20 10 DDCDMP Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(O)c1O ZINC000855345878 704479952 /nfs/dbraw/zinc/47/99/52/704479952.db2.gz JRAWQPNBGNWEIM-ZDUSSCGKSA-N 2 1 323.437 1.408 20 10 DDCDMP CCOc1ccc(O)c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000863649137 705976575 /nfs/dbraw/zinc/97/65/75/705976575.db2.gz VQGNVXPJHMRFKB-UHFFFAOYSA-N 2 1 304.350 1.035 20 10 DDCDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883185551 707950425 /nfs/dbraw/zinc/95/04/25/707950425.db2.gz ZKQVYXGNZHLIFN-UHFFFAOYSA-N 2 1 314.433 1.714 20 10 DDCDMP CC[N@@H+](CCC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896711317 708126980 /nfs/dbraw/zinc/12/69/80/708126980.db2.gz FYATXFJQTXVVJB-UHFFFAOYSA-N 2 1 304.438 1.136 20 10 DDCDMP Cc1cc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)ccc1N(C)C ZINC000923382551 714335680 /nfs/dbraw/zinc/33/56/80/714335680.db2.gz CVWCQZKQRUPVSP-DLBZAZTESA-N 2 1 313.449 1.721 20 10 DDCDMP Cc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)ccc1N(C)C ZINC000923382551 714335683 /nfs/dbraw/zinc/33/56/83/714335683.db2.gz CVWCQZKQRUPVSP-DLBZAZTESA-N 2 1 313.449 1.721 20 10 DDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144507896 772554692 /nfs/dbraw/zinc/55/46/92/772554692.db2.gz FCECJSPIBAFGJL-LSDHHAIUSA-N 2 1 321.421 1.014 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139259008 860340272 /nfs/dbraw/zinc/34/02/72/860340272.db2.gz DRGQJRWHANJZBA-HNNXBMFYSA-N 2 1 321.421 1.173 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H](NC(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139259008 860340279 /nfs/dbraw/zinc/34/02/79/860340279.db2.gz DRGQJRWHANJZBA-HNNXBMFYSA-N 2 1 321.421 1.173 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CO)cc2)CC1 ZINC001139404424 860387933 /nfs/dbraw/zinc/38/79/33/860387933.db2.gz GICDCVRVOWLNOL-SFHVURJKSA-N 2 1 303.450 1.785 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC001139404770 860388161 /nfs/dbraw/zinc/38/81/61/860388161.db2.gz ZRBBOQLQQBCHCC-OAHLLOKOSA-N 2 1 301.434 1.849 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC001139404770 860388168 /nfs/dbraw/zinc/38/81/68/860388168.db2.gz ZRBBOQLQQBCHCC-OAHLLOKOSA-N 2 1 301.434 1.849 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1C[NH3+] ZINC001205317916 871494277 /nfs/dbraw/zinc/49/42/77/871494277.db2.gz QRTFLJHSTZOLNY-HOCLYGCPSA-N 3 1 318.465 1.219 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206469519 872355483 /nfs/dbraw/zinc/35/54/83/872355483.db2.gz QUKDXAPNQVPYDD-GOEBONIOSA-N 2 1 307.438 1.293 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206469519 872355503 /nfs/dbraw/zinc/35/55/03/872355503.db2.gz QUKDXAPNQVPYDD-GOEBONIOSA-N 2 1 307.438 1.293 20 10 DDCDMP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349673344 875295678 /nfs/dbraw/zinc/29/56/78/875295678.db2.gz DROLQUULOOIVDT-ZBFHGGJFSA-N 2 1 320.456 1.889 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001234997434 888320886 /nfs/dbraw/zinc/32/08/86/888320886.db2.gz CQRHUKGMXJNRTH-GOSISDBHSA-N 3 1 317.433 1.450 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001234997434 888320896 /nfs/dbraw/zinc/32/08/96/888320896.db2.gz CQRHUKGMXJNRTH-GOSISDBHSA-N 3 1 317.433 1.450 20 10 DDCDMP CCN(CC)c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235050466 888367650 /nfs/dbraw/zinc/36/76/50/888367650.db2.gz DJPGLDKEXSHQHH-SFHVURJKSA-N 2 1 302.466 1.670 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235050466 888367662 /nfs/dbraw/zinc/36/76/62/888367662.db2.gz DJPGLDKEXSHQHH-SFHVURJKSA-N 2 1 302.466 1.670 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC(C)(C)O)cc2F)CC1 ZINC001255166204 896759694 /nfs/dbraw/zinc/75/96/94/896759694.db2.gz YXKUPZOLVKIMLO-UHFFFAOYSA-N 2 1 309.429 1.828 20 10 DDCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000840087484 701961030 /nfs/dbraw/zinc/96/10/30/701961030.db2.gz SVUQGRCWBFTYSO-AEFFLSMTSA-N 2 1 318.417 1.736 20 10 DDCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000840087484 701961036 /nfs/dbraw/zinc/96/10/36/701961036.db2.gz SVUQGRCWBFTYSO-AEFFLSMTSA-N 2 1 318.417 1.736 20 10 DDCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000840087484 701961040 /nfs/dbraw/zinc/96/10/40/701961040.db2.gz SVUQGRCWBFTYSO-AEFFLSMTSA-N 2 1 318.417 1.736 20 10 DDCDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849025325 703612393 /nfs/dbraw/zinc/61/23/93/703612393.db2.gz ZBDQFGGSZJKQEL-CYBMUJFWSA-N 2 1 306.410 1.499 20 10 DDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000876506226 705738023 /nfs/dbraw/zinc/73/80/23/705738023.db2.gz HMSLEWYDKGJPSU-INIZCTEOSA-N 2 1 320.481 1.847 20 10 DDCDMP C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000873221096 707774328 /nfs/dbraw/zinc/77/43/28/707774328.db2.gz KVPVUZRQUDYIFS-MRXNPFEDSA-N 2 1 316.493 1.916 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnc(C[NH3+])s2)cc1 ZINC000911667138 710916796 /nfs/dbraw/zinc/91/67/96/710916796.db2.gz OAZOXDFSWHWNGI-GFCCVEGCSA-N 2 1 319.434 1.098 20 10 DDCDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001171762625 776449331 /nfs/dbraw/zinc/44/93/31/776449331.db2.gz INKKANOMYDAPRZ-UHFFFAOYSA-N 2 1 321.465 1.941 20 10 DDCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[C@H]1F ZINC001206197348 777106158 /nfs/dbraw/zinc/10/61/58/777106158.db2.gz HTQHFTRLYWQTRA-KGLIPLIRSA-N 3 1 309.385 1.135 20 10 DDCDMP C[NH2+]C[C@@H]1CCCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328401400 862950745 /nfs/dbraw/zinc/95/07/45/862950745.db2.gz XQZXXDFKMNUZHP-INIZCTEOSA-N 2 1 320.456 1.761 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253202 860336953 /nfs/dbraw/zinc/33/69/53/860336953.db2.gz PWBZSHZHJNOCCO-KBPBESRZSA-N 2 1 312.385 1.367 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253202 860336958 /nfs/dbraw/zinc/33/69/58/860336958.db2.gz PWBZSHZHJNOCCO-KBPBESRZSA-N 2 1 312.385 1.367 20 10 DDCDMP CN(C)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409320 860389907 /nfs/dbraw/zinc/38/99/07/860389907.db2.gz IIYOMMLJHOZYGB-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409320 860389914 /nfs/dbraw/zinc/38/99/14/860389914.db2.gz IIYOMMLJHOZYGB-IBGZPJMESA-N 2 1 316.493 1.964 20 10 DDCDMP CC[NH+]1C[C@H]2C[NH+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141032718 860768005 /nfs/dbraw/zinc/76/80/05/860768005.db2.gz NIWPWOAQEBCITJ-STQMWFEESA-N 2 1 306.406 1.793 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+](CCO)CC3CC3)cc2F)CC1 ZINC001329770958 863842770 /nfs/dbraw/zinc/84/27/70/863842770.db2.gz KKASDNQSAGKYQI-UHFFFAOYSA-N 2 1 321.440 1.782 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+](CCO)CC3CC3)cc2F)CC1 ZINC001329770958 863842782 /nfs/dbraw/zinc/84/27/82/863842782.db2.gz KKASDNQSAGKYQI-UHFFFAOYSA-N 2 1 321.440 1.782 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)CC3CC3)cc2F)CC1 ZINC001329770958 863842796 /nfs/dbraw/zinc/84/27/96/863842796.db2.gz KKASDNQSAGKYQI-UHFFFAOYSA-N 2 1 321.440 1.782 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@H]([NH3+])C(C)(C)C3)cc2F)CC1 ZINC001334055716 867267123 /nfs/dbraw/zinc/26/71/23/867267123.db2.gz OTOSJVPMUXTQJC-KRWDZBQOSA-N 2 1 320.456 1.747 20 10 DDCDMP COc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC001335414475 868280347 /nfs/dbraw/zinc/28/03/47/868280347.db2.gz XFTLOQYXDWLZPI-PBHICJAKSA-N 2 1 319.449 1.319 20 10 DDCDMP COc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC001335414475 868280359 /nfs/dbraw/zinc/28/03/59/868280359.db2.gz XFTLOQYXDWLZPI-PBHICJAKSA-N 2 1 319.449 1.319 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1C[NH3+] ZINC001205315824 871494919 /nfs/dbraw/zinc/49/49/19/871494919.db2.gz HHZQPHZDNHLGJN-SWLSCSKDSA-N 3 1 305.422 1.291 20 10 DDCDMP C[C@H]1CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1C[NH3+] ZINC001205315824 871494930 /nfs/dbraw/zinc/49/49/30/871494930.db2.gz HHZQPHZDNHLGJN-SWLSCSKDSA-N 2 1 305.422 1.291 20 10 DDCDMP CCc1ccc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(O)c1 ZINC001236792771 889356590 /nfs/dbraw/zinc/35/65/90/889356590.db2.gz RBPHBAJDGZJCQG-UHFFFAOYSA-N 2 1 319.449 1.551 20 10 DDCDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C[C@H]12 ZINC001236818497 889371206 /nfs/dbraw/zinc/37/12/06/889371206.db2.gz IXXBOXIONMSPEY-BPQIPLTHSA-N 3 1 300.450 1.265 20 10 DDCDMP C[C@H](O)C1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001261691340 899708710 /nfs/dbraw/zinc/70/87/10/899708710.db2.gz MHSRXQLOGOYIMF-ZDUSSCGKSA-N 2 1 307.413 1.581 20 10 DDCDMP C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765030 701687797 /nfs/dbraw/zinc/68/77/97/701687797.db2.gz MEAWQWPIQYABNR-OAHLLOKOSA-N 2 1 316.449 1.149 20 10 DDCDMP COc1c(O)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000841029163 702315588 /nfs/dbraw/zinc/31/55/88/702315588.db2.gz VCTXNTZNQCRMBI-CMPLNLGQSA-N 2 1 309.366 1.916 20 10 DDCDMP CCOCc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1OC ZINC000841085592 702340620 /nfs/dbraw/zinc/34/06/20/702340620.db2.gz HZUYLCMDGKQYII-MRXNPFEDSA-N 2 1 308.422 1.700 20 10 DDCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895843 702511528 /nfs/dbraw/zinc/51/15/28/702511528.db2.gz WXEQIIYPFMDFTE-ROUUACIJSA-N 2 1 303.450 1.865 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000843053169 702809235 /nfs/dbraw/zinc/80/92/35/702809235.db2.gz YVZVBSLYCJMGKO-YJBOKZPZSA-N 3 1 302.466 1.608 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843053021 702809267 /nfs/dbraw/zinc/80/92/67/702809267.db2.gz XTAIXZVOZZESSC-WDEREUQCSA-N 2 1 309.366 1.868 20 10 DDCDMP COc1c(O)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843053021 702809269 /nfs/dbraw/zinc/80/92/69/702809269.db2.gz XTAIXZVOZZESSC-WDEREUQCSA-N 2 1 309.366 1.868 20 10 DDCDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000818953255 704033139 /nfs/dbraw/zinc/03/31/39/704033139.db2.gz DNMVOPKILQNZRS-SFHVURJKSA-N 2 1 303.450 1.832 20 10 DDCDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000818953255 704033140 /nfs/dbraw/zinc/03/31/40/704033140.db2.gz DNMVOPKILQNZRS-SFHVURJKSA-N 2 1 303.450 1.832 20 10 DDCDMP Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(O)c1 ZINC000876789395 705877429 /nfs/dbraw/zinc/87/74/29/705877429.db2.gz ACAUGGUXQRXYDY-INIZCTEOSA-N 2 1 317.433 1.439 20 10 DDCDMP Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(O)c1 ZINC000876789395 705877433 /nfs/dbraw/zinc/87/74/33/705877433.db2.gz ACAUGGUXQRXYDY-INIZCTEOSA-N 2 1 317.433 1.439 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC000872267199 707357189 /nfs/dbraw/zinc/35/71/89/707357189.db2.gz SKGANQPCUBYABC-CALCHBBNSA-N 2 1 301.434 1.517 20 10 DDCDMP C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116543828 780520633 /nfs/dbraw/zinc/52/06/33/780520633.db2.gz DGLJXPPIYLBCDS-KGLIPLIRSA-N 2 1 309.429 1.827 20 10 DDCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206640479 862747634 /nfs/dbraw/zinc/74/76/34/862747634.db2.gz KBXLNMMPMITEEI-CYBMUJFWSA-N 3 1 305.422 1.435 20 10 DDCDMP COC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC001139410745 860389354 /nfs/dbraw/zinc/38/93/54/860389354.db2.gz BPIONUCFHRASAY-SFHVURJKSA-N 2 1 319.449 1.286 20 10 DDCDMP COC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC001139410745 860389358 /nfs/dbraw/zinc/38/93/58/860389358.db2.gz BPIONUCFHRASAY-SFHVURJKSA-N 2 1 319.449 1.286 20 10 DDCDMP CC1=NO[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001331583870 865165878 /nfs/dbraw/zinc/16/58/78/865165878.db2.gz NUWGWNUKENUURJ-HNNXBMFYSA-N 2 1 320.412 1.832 20 10 DDCDMP C[NH2+]C[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001332340730 865774890 /nfs/dbraw/zinc/77/48/90/865774890.db2.gz ZHCAQIJMMLJKBF-MRXNPFEDSA-N 3 1 320.456 1.619 20 10 DDCDMP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1O ZINC001319729477 866258395 /nfs/dbraw/zinc/25/83/95/866258395.db2.gz QXUNFLMEACABSZ-QAPCUYQASA-N 2 1 321.440 1.780 20 10 DDCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1O ZINC001319729477 866258406 /nfs/dbraw/zinc/25/84/06/866258406.db2.gz QXUNFLMEACABSZ-QAPCUYQASA-N 2 1 321.440 1.780 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@H]1O ZINC001206476867 872363978 /nfs/dbraw/zinc/36/39/78/872363978.db2.gz WONHMSGGJCLRPW-DLBZAZTESA-N 2 1 301.434 1.137 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001276537544 873343195 /nfs/dbraw/zinc/34/31/95/873343195.db2.gz JMGRNOJIEPBRQO-GASCZTMLSA-N 2 1 307.413 1.742 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001276537544 873343206 /nfs/dbraw/zinc/34/32/06/873343206.db2.gz JMGRNOJIEPBRQO-GASCZTMLSA-N 2 1 307.413 1.742 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222244446 880356246 /nfs/dbraw/zinc/35/62/46/880356246.db2.gz YLVWZHDKWOICOB-IBGZPJMESA-N 3 1 314.477 1.814 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222244446 880356254 /nfs/dbraw/zinc/35/62/54/880356254.db2.gz YLVWZHDKWOICOB-IBGZPJMESA-N 3 1 314.477 1.814 20 10 DDCDMP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236409477 889227891 /nfs/dbraw/zinc/22/78/91/889227891.db2.gz VDHGYKRCLQYIEH-HNNXBMFYSA-N 3 1 318.465 1.233 20 10 DDCDMP CN1CCC([N@H+](Cc2ccc(N)cc2)C2CC[NH2+]CC2)CC1 ZINC001237038652 889474773 /nfs/dbraw/zinc/47/47/73/889474773.db2.gz IHJLRJDQDYTWNY-UHFFFAOYSA-N 2 1 302.466 1.917 20 10 DDCDMP CN1CCC([N@@H+](Cc2ccc(N)cc2)C2CC[NH2+]CC2)CC1 ZINC001237038652 889474786 /nfs/dbraw/zinc/47/47/86/889474786.db2.gz IHJLRJDQDYTWNY-UHFFFAOYSA-N 2 1 302.466 1.917 20 10 DDCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1O ZINC000775745543 698028805 /nfs/dbraw/zinc/02/88/05/698028805.db2.gz XMFYJNZRQXIMES-WMZOPIPTSA-N 2 1 303.450 1.641 20 10 DDCDMP COc1cc(Br)cc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1O ZINC000841077540 702337831 /nfs/dbraw/zinc/33/78/31/702337831.db2.gz CIODYZCIIRKXFL-JGVFFNPUSA-N 2 1 303.200 1.989 20 10 DDCDMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000841098934 702346402 /nfs/dbraw/zinc/34/64/02/702346402.db2.gz AINKJKYTDMFLNJ-AWEZNQCLSA-N 2 1 321.812 1.933 20 10 DDCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934387 702528768 /nfs/dbraw/zinc/52/87/68/702528768.db2.gz FXWCTOPTWFOEHQ-GJZGRUSLSA-N 2 1 311.376 1.771 20 10 DDCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000843053045 702809182 /nfs/dbraw/zinc/80/91/82/702809182.db2.gz WDLHUYIHGIPTAF-MJGOQNOKSA-N 3 1 316.493 1.998 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000843122772 702824351 /nfs/dbraw/zinc/82/43/51/702824351.db2.gz ODEYRKKZGCVXSQ-ZDUSSCGKSA-N 2 1 309.841 1.834 20 10 DDCDMP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000835037453 707161050 /nfs/dbraw/zinc/16/10/50/707161050.db2.gz WHBJZJDDRWXWHZ-OOFWQKGWSA-N 2 1 303.450 1.812 20 10 DDCDMP COc1cccc(O)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827699667 706052146 /nfs/dbraw/zinc/05/21/46/706052146.db2.gz LDICHPSNZNBHMD-AWEZNQCLSA-N 2 1 306.406 1.432 20 10 DDCDMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2ccccc2O)cnn1C ZINC000903884482 711316687 /nfs/dbraw/zinc/31/66/87/711316687.db2.gz AXLWWHSLALBAPB-AWEZNQCLSA-N 2 1 302.422 1.684 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001275952207 854006250 /nfs/dbraw/zinc/00/62/50/854006250.db2.gz AEBSSTKGTDZMNE-HOTGVXAUSA-N 2 1 305.422 1.308 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(CCF)CC3)cc2)CC1 ZINC001139412360 860392987 /nfs/dbraw/zinc/39/29/87/860392987.db2.gz IQRCZBPNPREUKB-UHFFFAOYSA-N 2 1 320.456 1.526 20 10 DDCDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(O)c1OC ZINC001335433295 868291015 /nfs/dbraw/zinc/29/10/15/868291015.db2.gz PBPSZKQZJXOYLA-GFCCVEGCSA-N 2 1 306.406 1.983 20 10 DDCDMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205110109 871367850 /nfs/dbraw/zinc/36/78/50/871367850.db2.gz OWFKUBOFVZXHAZ-HNNXBMFYSA-N 2 1 307.413 1.976 20 10 DDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205110109 871367869 /nfs/dbraw/zinc/36/78/69/871367869.db2.gz OWFKUBOFVZXHAZ-HNNXBMFYSA-N 2 1 307.413 1.976 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C[NH3+] ZINC001205140527 871391260 /nfs/dbraw/zinc/39/12/60/871391260.db2.gz LVBZVVBJTKRWIJ-GOEBONIOSA-N 2 1 303.450 1.674 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC001206036726 872008205 /nfs/dbraw/zinc/00/82/05/872008205.db2.gz OZXSCXASAZJXEO-UKRRQHHQSA-N 2 1 320.433 1.915 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406328 889620182 /nfs/dbraw/zinc/62/01/82/889620182.db2.gz UAPOLBSCCDOCDS-IEBWSBKVSA-N 3 1 314.477 1.670 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406328 889620188 /nfs/dbraw/zinc/62/01/88/889620188.db2.gz UAPOLBSCCDOCDS-IEBWSBKVSA-N 2 1 314.477 1.670 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(O)c1 ZINC001249186544 893860866 /nfs/dbraw/zinc/86/08/66/893860866.db2.gz XZRFZHJFSDFHBF-ZBFHGGJFSA-N 2 1 318.417 1.491 20 10 DDCDMP COC(=O)Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(O)c1 ZINC001249186544 893860885 /nfs/dbraw/zinc/86/08/85/893860885.db2.gz XZRFZHJFSDFHBF-ZBFHGGJFSA-N 2 1 318.417 1.491 20 10 DDCDMP COC(=O)Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC001249186544 893860890 /nfs/dbraw/zinc/86/08/90/893860890.db2.gz XZRFZHJFSDFHBF-ZBFHGGJFSA-N 2 1 318.417 1.491 20 10 DDCDMP CN(C)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000729683436 699485160 /nfs/dbraw/zinc/48/51/60/699485160.db2.gz PGOROVZGUNTJKJ-UHFFFAOYSA-N 2 1 304.482 1.870 20 10 DDCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000756549480 700627056 /nfs/dbraw/zinc/62/70/56/700627056.db2.gz NRPIENMNNWFPPB-HUUCEWRRSA-N 2 1 319.449 1.939 20 10 DDCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464001 701179670 /nfs/dbraw/zinc/17/96/70/701179670.db2.gz YSKMZRAUUIREGH-MRXNPFEDSA-N 2 1 317.389 1.845 20 10 DDCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464001 701179672 /nfs/dbraw/zinc/17/96/72/701179672.db2.gz YSKMZRAUUIREGH-MRXNPFEDSA-N 2 1 317.389 1.845 20 10 DDCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]21 ZINC000768463654 701179686 /nfs/dbraw/zinc/17/96/86/701179686.db2.gz VLDKFMNDIAHZRZ-VMGRFDJRSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]21 ZINC000768463654 701179687 /nfs/dbraw/zinc/17/96/87/701179687.db2.gz VLDKFMNDIAHZRZ-VMGRFDJRSA-N 2 1 318.417 1.734 20 10 DDCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]21 ZINC000768463654 701179690 /nfs/dbraw/zinc/17/96/90/701179690.db2.gz VLDKFMNDIAHZRZ-VMGRFDJRSA-N 2 1 318.417 1.734 20 10 DDCDMP CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(O)c1 ZINC000843122603 702824111 /nfs/dbraw/zinc/82/41/11/702824111.db2.gz NKFSGUXQQOVBLL-HNNXBMFYSA-N 2 1 305.422 1.270 20 10 DDCDMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000854230951 704368834 /nfs/dbraw/zinc/36/88/34/704368834.db2.gz DZYYUQDVJDYONS-NSHDSACASA-N 2 1 301.394 1.558 20 10 DDCDMP C[NH2+]CCOCC[N@H+](C)Cc1cccc(Br)c1O ZINC000863647287 705976316 /nfs/dbraw/zinc/97/63/16/705976316.db2.gz IFENDSURBQCKAA-UHFFFAOYSA-N 2 1 317.227 1.823 20 10 DDCDMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(Br)c1O ZINC000863647287 705976319 /nfs/dbraw/zinc/97/63/19/705976319.db2.gz IFENDSURBQCKAA-UHFFFAOYSA-N 2 1 317.227 1.823 20 10 DDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925810747 714941343 /nfs/dbraw/zinc/94/13/43/714941343.db2.gz FVIPTOUENUMIRF-LBPRGKRZSA-N 2 1 321.421 1.253 20 10 DDCDMP CN1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC001139409791 860390200 /nfs/dbraw/zinc/39/02/00/860390200.db2.gz SKZASRSZJLTUAZ-UHFFFAOYSA-N 2 1 316.449 1.103 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)cc2)CC1 ZINC001140304030 860614880 /nfs/dbraw/zinc/61/48/80/860614880.db2.gz FDQXRHSTGZIZOK-ROUUACIJSA-N 2 1 301.434 1.802 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3CO4)cc2)CC1 ZINC001140304030 860614883 /nfs/dbraw/zinc/61/48/83/860614883.db2.gz FDQXRHSTGZIZOK-ROUUACIJSA-N 2 1 301.434 1.802 20 10 DDCDMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331418784 865074829 /nfs/dbraw/zinc/07/48/29/865074829.db2.gz KFTVAMNZXRMFQZ-CQSZACIVSA-N 3 1 308.445 1.795 20 10 DDCDMP C[NH2+][C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001332339648 865773119 /nfs/dbraw/zinc/77/31/19/865773119.db2.gz MYJXUSLWFMZWNI-MRXNPFEDSA-N 2 1 320.456 1.761 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3O)cc2F)CC1 ZINC001320422875 866724085 /nfs/dbraw/zinc/72/40/85/866724085.db2.gz HVCKCIAMBHRKSF-SJLPKXTDSA-N 2 1 321.440 1.971 20 10 DDCDMP CCOc1cccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1O ZINC001203613978 870672429 /nfs/dbraw/zinc/67/24/29/870672429.db2.gz LOHGSNXVEZJYHF-UHFFFAOYSA-N 2 1 307.438 1.470 20 10 DDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205110700 871371334 /nfs/dbraw/zinc/37/13/34/871371334.db2.gz YMDOLYJZQJHOKA-INIZCTEOSA-N 2 1 303.450 1.961 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC001206036727 872006707 /nfs/dbraw/zinc/00/67/07/872006707.db2.gz OZXSCXASAZJXEO-ZFWWWQNUSA-N 2 1 320.433 1.915 20 10 DDCDMP CN1CCCc2cc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)ccc21 ZINC001234982466 888294267 /nfs/dbraw/zinc/29/42/67/888294267.db2.gz PKDRBTSOVJRKCK-SFHVURJKSA-N 2 1 300.450 1.206 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235034035 888351417 /nfs/dbraw/zinc/35/14/17/888351417.db2.gz SMXJRFPQWMYQQO-QGZVFWFLSA-N 3 1 303.406 1.060 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235034035 888351427 /nfs/dbraw/zinc/35/14/27/888351427.db2.gz SMXJRFPQWMYQQO-QGZVFWFLSA-N 3 1 303.406 1.060 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235271823 888520343 /nfs/dbraw/zinc/52/03/43/888520343.db2.gz PCMAWHOUPRZXBV-WMZOPIPTSA-N 3 1 300.450 1.280 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235271823 888520351 /nfs/dbraw/zinc/52/03/51/888520351.db2.gz PCMAWHOUPRZXBV-WMZOPIPTSA-N 2 1 300.450 1.280 20 10 DDCDMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC)cc(OC)c3O)C[C@H]2C1 ZINC001237684073 889801587 /nfs/dbraw/zinc/80/15/87/889801587.db2.gz MABPKCAXBDRFDD-ZIAGYGMSSA-N 2 1 306.406 1.793 20 10 DDCDMP CC(C)[C@@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246173763 892461792 /nfs/dbraw/zinc/46/17/92/892461792.db2.gz MJPYMHFUFYRLNI-MJGOQNOKSA-N 2 1 316.493 1.962 20 10 DDCDMP C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776521147 698112403 /nfs/dbraw/zinc/11/24/03/698112403.db2.gz LAYJWQOSNMQSAI-IVZQSRNASA-N 2 1 323.506 1.637 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]C3CCC([NH3+])CC3)cc2)CC1 ZINC000843104430 702819608 /nfs/dbraw/zinc/81/96/08/702819608.db2.gz JSUGAXREBFBXRZ-UHFFFAOYSA-N 2 1 302.466 1.798 20 10 DDCDMP CN(C)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000843125131 702825162 /nfs/dbraw/zinc/82/51/62/702825162.db2.gz WXNFARFEFVIUMS-HNNXBMFYSA-N 2 1 306.429 1.371 20 10 DDCDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000863647834 705976281 /nfs/dbraw/zinc/97/62/81/705976281.db2.gz DITQYCIUZQJLOR-UHFFFAOYSA-N 2 1 307.438 1.191 20 10 DDCDMP COc1cccc(O)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873227634 707776858 /nfs/dbraw/zinc/77/68/58/707776858.db2.gz MAQAVIHGUIHZLH-MWLCHTKSSA-N 2 1 304.312 1.970 20 10 DDCDMP COc1cccc(O)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873227634 707776863 /nfs/dbraw/zinc/77/68/63/707776863.db2.gz MAQAVIHGUIHZLH-MWLCHTKSSA-N 2 1 304.312 1.970 20 10 DDCDMP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C)[NH+](C)C)cc1 ZINC000891248602 710141026 /nfs/dbraw/zinc/14/10/26/710141026.db2.gz ZKHDLCHVTUOWRW-SJORKVTESA-N 2 1 318.465 1.566 20 10 DDCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cn(C)nn1 ZINC000903086964 711028421 /nfs/dbraw/zinc/02/84/21/711028421.db2.gz CUQRXRGVWWTULE-CQSZACIVSA-N 2 1 314.437 1.418 20 10 DDCDMP OC1CC[NH+](CCC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921587522 713814668 /nfs/dbraw/zinc/81/46/68/713814668.db2.gz QWDWQLNANNSCRC-UHFFFAOYSA-N 2 1 304.434 1.948 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001129532207 766919156 /nfs/dbraw/zinc/91/91/56/766919156.db2.gz VAIXQYVINIAWJF-UHFFFAOYSA-N 2 1 319.449 1.694 20 10 DDCDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001130300131 767420918 /nfs/dbraw/zinc/42/09/18/767420918.db2.gz JAZSGBWYLBNSCD-MRXNPFEDSA-N 2 1 319.449 1.694 20 10 DDCDMP C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116543826 780520864 /nfs/dbraw/zinc/52/08/64/780520864.db2.gz DGLJXPPIYLBCDS-KBPBESRZSA-N 2 1 309.429 1.827 20 10 DDCDMP CC(=O)NCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326301828 861266709 /nfs/dbraw/zinc/26/67/09/861266709.db2.gz BSDRBDYFDXBFGH-UHFFFAOYSA-N 2 1 322.428 1.145 20 10 DDCDMP CC(=O)NCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326301828 861266726 /nfs/dbraw/zinc/26/67/26/861266726.db2.gz BSDRBDYFDXBFGH-UHFFFAOYSA-N 2 1 322.428 1.145 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1O ZINC001275952225 854006198 /nfs/dbraw/zinc/00/61/98/854006198.db2.gz AUKCAKMHHIQTLA-GASCZTMLSA-N 2 1 305.422 1.308 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139253026 860337094 /nfs/dbraw/zinc/33/70/94/860337094.db2.gz IZUIBGPJYYTSGE-CYBMUJFWSA-N 2 1 321.421 1.160 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139258319 860339111 /nfs/dbraw/zinc/33/91/11/860339111.db2.gz PJSBYHMLJNZOEN-SWLSCSKDSA-N 2 1 308.422 1.808 20 10 DDCDMP C[NH2+]C1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001332340376 865772704 /nfs/dbraw/zinc/77/27/04/865772704.db2.gz VYLNWGIBRRBRBC-UHFFFAOYSA-N 2 1 320.456 1.761 20 10 DDCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205912540 871923872 /nfs/dbraw/zinc/92/38/72/871923872.db2.gz AZSPGNBISRBUKP-OLZOCXBDSA-N 3 1 305.422 1.433 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCC[C@H]1C[NH3+] ZINC001206021703 871999467 /nfs/dbraw/zinc/99/94/67/871999467.db2.gz ATLGBFIHKSWXIZ-KBPBESRZSA-N 3 1 319.449 1.681 20 10 DDCDMP C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CCC[C@H]1C[NH3+] ZINC001206021703 871999482 /nfs/dbraw/zinc/99/94/82/871999482.db2.gz ATLGBFIHKSWXIZ-KBPBESRZSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CCC[C@H]1C[NH3+] ZINC001206021703 871999493 /nfs/dbraw/zinc/99/94/93/871999493.db2.gz ATLGBFIHKSWXIZ-KBPBESRZSA-N 2 1 319.449 1.681 20 10 DDCDMP CC[C@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318410780 872010075 /nfs/dbraw/zinc/01/00/75/872010075.db2.gz OYWBYPNOIMCDJI-KRWDZBQOSA-N 2 1 309.429 1.828 20 10 DDCDMP [NH3+]CCN(CC[NH3+])Cc1cc(Br)c(F)cc1O ZINC001235877534 888996640 /nfs/dbraw/zinc/99/66/40/888996640.db2.gz NBXAGTIJWBWITD-UHFFFAOYSA-N 2 1 306.179 1.013 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000315935890 879219889 /nfs/dbraw/zinc/21/98/89/879219889.db2.gz RYIXGAWIKOKVHM-HNNXBMFYSA-N 2 1 304.438 1.040 20 10 DDCDMP Oc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1O ZINC001233482271 887013760 /nfs/dbraw/zinc/01/37/60/887013760.db2.gz HJKKYXYOURCHTP-UHFFFAOYSA-N 2 1 301.346 1.521 20 10 DDCDMP CCC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CC[NH2+]C1 ZINC001236323660 889187731 /nfs/dbraw/zinc/18/77/31/889187731.db2.gz IVEJJSIUKBBUGO-KRWDZBQOSA-N 3 1 318.465 1.376 20 10 DDCDMP CCC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CC[NH2+]C1 ZINC001236323660 889187738 /nfs/dbraw/zinc/18/77/38/889187738.db2.gz IVEJJSIUKBBUGO-KRWDZBQOSA-N 3 1 318.465 1.376 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCOCC3)c(F)c2)CC1 ZINC001236933075 889430134 /nfs/dbraw/zinc/43/01/34/889430134.db2.gz UOOSMWYJNIYHJM-UHFFFAOYSA-N 2 1 307.413 1.800 20 10 DDCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001237080244 889498400 /nfs/dbraw/zinc/49/84/00/889498400.db2.gz GETFKMBRTPOFMH-GOSISDBHSA-N 3 1 318.465 1.363 20 10 DDCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(O)c1 ZINC000293898774 409203617 /nfs/dbraw/zinc/20/36/17/409203617.db2.gz WIRFTXGNOXCTGV-OAHLLOKOSA-N 2 1 319.449 1.824 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC000775712803 698025305 /nfs/dbraw/zinc/02/53/05/698025305.db2.gz ITITUHQTCCSRDU-SFHVURJKSA-N 2 1 303.450 1.785 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCC[N@H+]1C ZINC000817417237 702375682 /nfs/dbraw/zinc/37/56/82/702375682.db2.gz IETYMVVSZNQYTB-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP CN1CCC[C@@H]1C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000817417237 702375687 /nfs/dbraw/zinc/37/56/87/702375687.db2.gz IETYMVVSZNQYTB-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP CN1CCC[C@@H]1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000817417237 702375694 /nfs/dbraw/zinc/37/56/94/702375694.db2.gz IETYMVVSZNQYTB-LJQANCHMSA-N 2 1 316.493 1.964 20 10 DDCDMP C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1C[NH2+]C1 ZINC000817934568 702528243 /nfs/dbraw/zinc/52/82/43/702528243.db2.gz IHGXOLNTRMFPDV-NSHDSACASA-N 2 1 311.376 1.499 20 10 DDCDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943880 702531190 /nfs/dbraw/zinc/53/11/90/702531190.db2.gz WIUKRQXWNHWRAK-FSPWUOQZSA-N 2 1 302.466 1.825 20 10 DDCDMP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000817942787 702531770 /nfs/dbraw/zinc/53/17/70/702531770.db2.gz QZOIAZGKXCBWFD-DDUZABMNSA-N 2 1 302.466 1.967 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326232932 861218137 /nfs/dbraw/zinc/21/81/37/861218137.db2.gz UGHATQCCATWMTH-GOEBONIOSA-N 3 1 320.456 1.747 20 10 DDCDMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001275271896 852942430 /nfs/dbraw/zinc/94/24/30/852942430.db2.gz OFZVAJYGUHVPDC-UHFFFAOYSA-N 2 1 309.841 1.725 20 10 DDCDMP Cc1ccc(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c(O)c1 ZINC001276168511 854869989 /nfs/dbraw/zinc/86/99/89/854869989.db2.gz FCCNJKVGWKIQCJ-CALCHBBNSA-N 2 1 319.449 1.147 20 10 DDCDMP C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139408682 860390723 /nfs/dbraw/zinc/39/07/23/860390723.db2.gz PDBHKUARFDYLSB-YJBOKZPZSA-N 2 1 303.450 1.784 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC001139412092 860392354 /nfs/dbraw/zinc/39/23/54/860392354.db2.gz DAXBHDUKZGPSEJ-MRXNPFEDSA-N 2 1 302.466 1.574 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC001139412092 860392360 /nfs/dbraw/zinc/39/23/60/860392360.db2.gz DAXBHDUKZGPSEJ-MRXNPFEDSA-N 2 1 302.466 1.574 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC001139412092 860392364 /nfs/dbraw/zinc/39/23/64/860392364.db2.gz DAXBHDUKZGPSEJ-MRXNPFEDSA-N 2 1 302.466 1.574 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CC(C(=O)OC)C3)cc2)CC1 ZINC001140301938 860614683 /nfs/dbraw/zinc/61/46/83/860614683.db2.gz DYEPOVURJPVGIW-UHFFFAOYSA-N 2 1 317.433 1.433 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC3CC(O)C3)cc2F)CC1 ZINC001320773177 867018532 /nfs/dbraw/zinc/01/85/32/867018532.db2.gz JLEVUXRIUSKNHS-UHFFFAOYSA-N 2 1 321.440 1.828 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(O)c1 ZINC001205651662 871675622 /nfs/dbraw/zinc/67/56/22/871675622.db2.gz IBCYKWFBHZGANH-HIFRSBDPSA-N 2 1 320.433 1.915 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1OC ZINC001205725788 871753265 /nfs/dbraw/zinc/75/32/65/871753265.db2.gz LIACSXUBDVPCHO-INIZCTEOSA-N 2 1 310.394 1.085 20 10 DDCDMP Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206530936 872416607 /nfs/dbraw/zinc/41/66/07/872416607.db2.gz XDOQNFWBWUWBTE-JQWIXIFHSA-N 2 1 315.211 1.215 20 10 DDCDMP Cc1cc(Br)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206530936 872416612 /nfs/dbraw/zinc/41/66/12/872416612.db2.gz XDOQNFWBWUWBTE-JQWIXIFHSA-N 2 1 315.211 1.215 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1O ZINC001206536044 872422860 /nfs/dbraw/zinc/42/28/60/872422860.db2.gz WTFOBJRILPGILO-YJBOKZPZSA-N 2 1 316.376 1.950 20 10 DDCDMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235776372 888939033 /nfs/dbraw/zinc/93/90/33/888939033.db2.gz IJSCAOHEFOLTLE-ZNXRZULTSA-N 3 1 300.450 1.550 20 10 DDCDMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280018503 409255342 /nfs/dbraw/zinc/25/53/42/409255342.db2.gz HFBKCAUGZJGFOU-INIZCTEOSA-N 2 1 319.449 1.905 20 10 DDCDMP COCCOCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809790008 701689683 /nfs/dbraw/zinc/68/96/83/701689683.db2.gz SADTZZDRTRKQDQ-UHFFFAOYSA-N 2 1 321.465 1.533 20 10 DDCDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466192 701180611 /nfs/dbraw/zinc/18/06/11/701180611.db2.gz NSRHXQXRHZIUJD-GUYCJALGSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466192 701180612 /nfs/dbraw/zinc/18/06/12/701180612.db2.gz NSRHXQXRHZIUJD-GUYCJALGSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466192 701180614 /nfs/dbraw/zinc/18/06/14/701180614.db2.gz NSRHXQXRHZIUJD-GUYCJALGSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466192 701180616 /nfs/dbraw/zinc/18/06/16/701180616.db2.gz NSRHXQXRHZIUJD-GUYCJALGSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768466192 701180617 /nfs/dbraw/zinc/18/06/17/701180617.db2.gz NSRHXQXRHZIUJD-GUYCJALGSA-N 2 1 320.433 1.982 20 10 DDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000841069893 702335479 /nfs/dbraw/zinc/33/54/79/702335479.db2.gz GXOWDDHQJGBUJJ-SNVBAGLBSA-N 2 1 303.200 1.990 20 10 DDCDMP CN(C)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])c(C(F)(F)F)c1 ZINC000841091635 702342320 /nfs/dbraw/zinc/34/23/20/702342320.db2.gz CMUGEUDORFUNLC-LBPRGKRZSA-N 2 1 305.344 1.523 20 10 DDCDMP CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c(C(F)(F)F)c1 ZINC000841091635 702342329 /nfs/dbraw/zinc/34/23/29/702342329.db2.gz CMUGEUDORFUNLC-LBPRGKRZSA-N 2 1 305.344 1.523 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000841100799 702346258 /nfs/dbraw/zinc/34/62/58/702346258.db2.gz KFJAVOXYVCJGER-FUHWJXTLSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000841100799 702346264 /nfs/dbraw/zinc/34/62/64/702346264.db2.gz KFJAVOXYVCJGER-FUHWJXTLSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000841100799 702346270 /nfs/dbraw/zinc/34/62/70/702346270.db2.gz KFJAVOXYVCJGER-FUHWJXTLSA-N 2 1 316.493 1.855 20 10 DDCDMP C[NH2+]CC1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000843049485 702808252 /nfs/dbraw/zinc/80/82/52/702808252.db2.gz NGKKTXIDIDYUAG-UHFFFAOYSA-N 2 1 316.493 1.870 20 10 DDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843121477 702823606 /nfs/dbraw/zinc/82/36/06/702823606.db2.gz HSXNDQQRFCHWKU-SFHVURJKSA-N 2 1 302.466 1.541 20 10 DDCDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834570077 707088309 /nfs/dbraw/zinc/08/83/09/707088309.db2.gz CLBQGFGSYVIZOT-CABCVRRESA-N 2 1 317.433 1.557 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000832274703 706882809 /nfs/dbraw/zinc/88/28/09/706882809.db2.gz XPUABSIFKUOPAR-HZPDHXFCSA-N 2 1 304.438 1.353 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000873215182 707772682 /nfs/dbraw/zinc/77/26/82/707772682.db2.gz ANPKOFXQVNJLLP-DOTOQJQBSA-N 2 1 302.466 1.465 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000873215182 707772687 /nfs/dbraw/zinc/77/26/87/707772687.db2.gz ANPKOFXQVNJLLP-DOTOQJQBSA-N 2 1 302.466 1.465 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000873215182 707772692 /nfs/dbraw/zinc/77/26/92/707772692.db2.gz ANPKOFXQVNJLLP-DOTOQJQBSA-N 2 1 302.466 1.465 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2)CC1 ZINC000883290727 707966427 /nfs/dbraw/zinc/96/64/27/707966427.db2.gz DXTPDCQGTHPKNM-QGZVFWFLSA-N 2 1 311.433 1.870 20 10 DDCDMP CC(C)C1(O)C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839133515 708028913 /nfs/dbraw/zinc/02/89/13/708028913.db2.gz QWJOROWTHRGFSQ-UHFFFAOYSA-N 2 1 303.450 1.641 20 10 DDCDMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000903441387 711127589 /nfs/dbraw/zinc/12/75/89/711127589.db2.gz PWXWFBVTTWLBRW-WBVHZDCISA-N 2 1 303.450 1.811 20 10 DDCDMP CN(C)c1ccc(C[N@@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)c(O)c1 ZINC001275584868 853398971 /nfs/dbraw/zinc/39/89/71/853398971.db2.gz JDESOQLBMQCIDX-CALCHBBNSA-N 2 1 318.465 1.278 20 10 DDCDMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001276079961 854711981 /nfs/dbraw/zinc/71/19/81/854711981.db2.gz IEOTVYZLXNMRLD-CALCHBBNSA-N 2 1 303.450 1.911 20 10 DDCDMP Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c(O)c1 ZINC001276168509 854870004 /nfs/dbraw/zinc/87/00/04/854870004.db2.gz FBPBYICOXMEMLG-WMZOPIPTSA-N 2 1 319.449 1.147 20 10 DDCDMP CN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139408676 860390279 /nfs/dbraw/zinc/39/02/79/860390279.db2.gz CAKZOUZZUKRARN-GOSISDBHSA-N 2 1 302.466 1.574 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC001139408676 860390282 /nfs/dbraw/zinc/39/02/82/860390282.db2.gz CAKZOUZZUKRARN-GOSISDBHSA-N 2 1 302.466 1.574 20 10 DDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC001139408676 860390287 /nfs/dbraw/zinc/39/02/87/860390287.db2.gz CAKZOUZZUKRARN-GOSISDBHSA-N 2 1 302.466 1.574 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)cc2)CC1 ZINC001139411327 860390297 /nfs/dbraw/zinc/39/02/97/860390297.db2.gz GKSMIENBKGSYNI-QZTJIDSGSA-N 2 1 301.434 1.802 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)cc2)CC1 ZINC001139411327 860390302 /nfs/dbraw/zinc/39/03/02/860390302.db2.gz GKSMIENBKGSYNI-QZTJIDSGSA-N 2 1 301.434 1.802 20 10 DDCDMP C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332354162 865783431 /nfs/dbraw/zinc/78/34/31/865783431.db2.gz XVZFELVLZOEJDO-BBRMVZONSA-N 2 1 307.413 1.702 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CO)CCC3)cc2F)CC1 ZINC001320086694 866459622 /nfs/dbraw/zinc/45/96/22/866459622.db2.gz OYZVLMCSFQFOOP-UHFFFAOYSA-N 2 1 321.440 1.830 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(O)C3)cc2F)CC1 ZINC001337042023 869287429 /nfs/dbraw/zinc/28/74/29/869287429.db2.gz GASBBKCUBYKTTB-SFHVURJKSA-N 2 1 321.440 1.924 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(O)C3)cc2F)CC1 ZINC001337042023 869287441 /nfs/dbraw/zinc/28/74/41/869287441.db2.gz GASBBKCUBYKTTB-SFHVURJKSA-N 2 1 321.440 1.924 20 10 DDCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205682743 871693705 /nfs/dbraw/zinc/69/37/05/871693705.db2.gz UEHVKNLSUNGEQB-SFHVURJKSA-N 2 1 321.465 1.914 20 10 DDCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205901741 871914091 /nfs/dbraw/zinc/91/40/91/871914091.db2.gz FWPLHAPUIPIORT-NVXWUHKLSA-N 3 1 302.466 1.655 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC001206036725 872007466 /nfs/dbraw/zinc/00/74/66/872007466.db2.gz OZXSCXASAZJXEO-HIFRSBDPSA-N 2 1 320.433 1.915 20 10 DDCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(CC(=O)OC)cc1O ZINC001277420856 884166504 /nfs/dbraw/zinc/16/65/04/884166504.db2.gz HHPSRIKNQZGSJV-MQVJKMGUSA-N 2 1 318.417 1.823 20 10 DDCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(C(F)(F)F)ccc1O ZINC001236082452 889097386 /nfs/dbraw/zinc/09/73/86/889097386.db2.gz ZDZPHZGGLVBDAU-UHFFFAOYSA-N 2 1 317.355 1.748 20 10 DDCDMP COc1c(O)c(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000278501716 539280791 /nfs/dbraw/zinc/28/07/91/539280791.db2.gz NWCWIVKAJGDLTA-UHFFFAOYSA-N 2 1 307.350 1.661 20 10 DDCDMP COc1c(O)c(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000278501716 539280793 /nfs/dbraw/zinc/28/07/93/539280793.db2.gz NWCWIVKAJGDLTA-UHFFFAOYSA-N 2 1 307.350 1.661 20 10 DDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843057509 702809573 /nfs/dbraw/zinc/80/95/73/702809573.db2.gz IWTRFJXISFJLHQ-ZFWWWQNUSA-N 2 1 307.413 1.831 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000843432266 702880702 /nfs/dbraw/zinc/88/07/02/702880702.db2.gz SZENUZMPGAUNQD-UHFFFAOYSA-N 2 1 306.406 1.697 20 10 DDCDMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877111841 705987094 /nfs/dbraw/zinc/98/70/94/705987094.db2.gz MNGMRSDXVDVBKA-SFHVURJKSA-N 2 1 321.465 1.050 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@]1(C)CO ZINC000827700867 706052914 /nfs/dbraw/zinc/05/29/14/706052914.db2.gz YMTDUYHKRPTKGB-LPHOPBHVSA-N 2 1 317.477 1.889 20 10 DDCDMP COc1cccc(O)c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000827856593 706076886 /nfs/dbraw/zinc/07/68/86/706076886.db2.gz QKGKMJFLXMJPGH-CQSZACIVSA-N 2 1 308.422 1.943 20 10 DDCDMP COc1cccc(O)c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000827856593 706076891 /nfs/dbraw/zinc/07/68/91/706076891.db2.gz QKGKMJFLXMJPGH-CQSZACIVSA-N 2 1 308.422 1.943 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC3(C[NH3+])CC3)cc2F)CC1 ZINC001118295465 781085990 /nfs/dbraw/zinc/08/59/90/781085990.db2.gz RNCZTXZRPBBKAY-UHFFFAOYSA-N 3 1 320.456 1.796 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001275279326 852950455 /nfs/dbraw/zinc/95/04/55/852950455.db2.gz XQXJGTDGHLNBCQ-WMLDXEAASA-N 2 1 319.449 1.469 20 10 DDCDMP Cc1ccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c(O)c1 ZINC001276169835 854874904 /nfs/dbraw/zinc/87/49/04/854874904.db2.gz XNJAWMBSVHLLBM-DOTOQJQBSA-N 2 1 303.450 1.768 20 10 DDCDMP COc1cc(C[N@@H+](C)CC2(C)COC2)cc(C[NH+](C)C)c1O ZINC001139256679 860338532 /nfs/dbraw/zinc/33/85/32/860338532.db2.gz GSUQDUZXFQHGSX-UHFFFAOYSA-N 2 1 308.422 1.931 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](F)[C@@H](O)C3)cc2)CC1 ZINC001140302310 860614943 /nfs/dbraw/zinc/61/49/43/860614943.db2.gz NCKQAYQTTHXOJX-ROUUACIJSA-N 2 1 321.440 1.733 20 10 DDCDMP CC[N@@H+](CCC(N)=O)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140304050 860615322 /nfs/dbraw/zinc/61/53/22/860615322.db2.gz GDXNRXKZQCLRRU-UHFFFAOYSA-N 2 1 318.465 1.526 20 10 DDCDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)O ZINC001324399652 867255547 /nfs/dbraw/zinc/25/55/47/867255547.db2.gz JPZODTHISXIFKD-CZUORRHYSA-N 2 1 309.429 1.827 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205239429 871451699 /nfs/dbraw/zinc/45/16/99/871451699.db2.gz BACLTVNNHKUHEA-HNNXBMFYSA-N 2 1 314.813 1.730 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1OC ZINC001205248097 871460206 /nfs/dbraw/zinc/46/02/06/871460206.db2.gz MMAJRCSFAPRWFP-MRXNPFEDSA-N 2 1 310.394 1.085 20 10 DDCDMP N[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001206175119 872111089 /nfs/dbraw/zinc/11/10/89/872111089.db2.gz RPYUCLDBJDESGZ-IAGOWNOFSA-N 2 1 306.429 1.357 20 10 DDCDMP [NH3+][C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001206175119 872111092 /nfs/dbraw/zinc/11/10/92/872111092.db2.gz RPYUCLDBJDESGZ-IAGOWNOFSA-N 2 1 306.429 1.357 20 10 DDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001206175119 872111096 /nfs/dbraw/zinc/11/10/96/872111096.db2.gz RPYUCLDBJDESGZ-IAGOWNOFSA-N 3 1 306.429 1.357 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001206175119 872111099 /nfs/dbraw/zinc/11/10/99/872111099.db2.gz RPYUCLDBJDESGZ-IAGOWNOFSA-N 3 1 306.429 1.357 20 10 DDCDMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235905495 889000933 /nfs/dbraw/zinc/00/09/33/889000933.db2.gz MHMUXSDSJPRLAY-UKRRQHHQSA-N 3 1 304.438 1.113 20 10 DDCDMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235905495 889000939 /nfs/dbraw/zinc/00/09/39/889000939.db2.gz MHMUXSDSJPRLAY-UKRRQHHQSA-N 3 1 304.438 1.113 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(Cl)c1 ZINC001235992612 889047005 /nfs/dbraw/zinc/04/70/05/889047005.db2.gz FBHFAHKTLNRIGN-OCZCAGDBSA-N 2 1 309.841 1.812 20 10 DDCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(Cl)c1 ZINC001235992612 889047016 /nfs/dbraw/zinc/04/70/16/889047016.db2.gz FBHFAHKTLNRIGN-OCZCAGDBSA-N 2 1 309.841 1.812 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217201 889146964 /nfs/dbraw/zinc/14/69/64/889146964.db2.gz NPAYWCVUPWXDKZ-ROUUACIJSA-N 3 1 302.466 1.798 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217201 889146969 /nfs/dbraw/zinc/14/69/69/889146969.db2.gz NPAYWCVUPWXDKZ-ROUUACIJSA-N 3 1 302.466 1.798 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216661 889147072 /nfs/dbraw/zinc/14/70/72/889147072.db2.gz LEVLMRVZHOYHMR-GJZGRUSLSA-N 3 1 305.422 1.576 20 10 DDCDMP C[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216661 889147082 /nfs/dbraw/zinc/14/70/82/889147082.db2.gz LEVLMRVZHOYHMR-GJZGRUSLSA-N 3 1 305.422 1.576 20 10 DDCDMP C[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)[NH2+]1 ZINC001246171802 892459083 /nfs/dbraw/zinc/45/90/83/892459083.db2.gz DSFSNFGMHWHYOW-SCAQPMJSSA-N 2 1 302.466 1.715 20 10 DDCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OC)c3O)C2)CC1 ZINC000093133162 193205705 /nfs/dbraw/zinc/20/57/05/193205705.db2.gz SPFPUQRIAWKBIS-MRXNPFEDSA-N 2 1 319.449 1.613 20 10 DDCDMP CN1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000775709370 698025177 /nfs/dbraw/zinc/02/51/77/698025177.db2.gz GOBLXQPACZGJFX-KRWDZBQOSA-N 2 1 316.449 1.101 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CCO)cc2)CC1 ZINC000779202424 698401324 /nfs/dbraw/zinc/40/13/24/698401324.db2.gz OLEAHBYSDNDIIJ-KRWDZBQOSA-N 2 1 303.450 1.785 20 10 DDCDMP Cc1cc(Br)cc(C[N@@H+](C)C[C@H](O)C[NH3+])c1O ZINC000841094580 702343732 /nfs/dbraw/zinc/34/37/32/702343732.db2.gz YVKHNYSSCGBKHJ-LLVKDONJSA-N 2 1 303.200 1.215 20 10 DDCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1[NH3+] ZINC000843053046 702809191 /nfs/dbraw/zinc/80/91/91/702809191.db2.gz WDLHUYIHGIPTAF-PKOBYXMFSA-N 3 1 316.493 1.998 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCO2 ZINC000843124602 702824634 /nfs/dbraw/zinc/82/46/34/702824634.db2.gz CXVUIQNFLRKLLZ-QWHCGFSZSA-N 2 1 304.390 1.942 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCO2 ZINC000843124603 702824733 /nfs/dbraw/zinc/82/47/33/702824733.db2.gz CXVUIQNFLRKLLZ-STQMWFEESA-N 2 1 304.390 1.942 20 10 DDCDMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000903838305 711297654 /nfs/dbraw/zinc/29/76/54/711297654.db2.gz BQAMLIBCILKJOS-BQFCYCMXSA-N 2 1 301.434 1.835 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc(C)c1O)C2 ZINC000903976828 711354575 /nfs/dbraw/zinc/35/45/75/711354575.db2.gz CJZSMJUFHCBPRI-VBQJREDUSA-N 2 1 304.390 1.413 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001275952933 854011678 /nfs/dbraw/zinc/01/16/78/854011678.db2.gz PGBSXEDDQOFQHU-HIFRSBDPSA-N 2 1 305.422 1.166 20 10 DDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001137835323 859983967 /nfs/dbraw/zinc/98/39/67/859983967.db2.gz CQMGJDVYLSLXLK-JKSUJKDBSA-N 2 1 307.413 1.742 20 10 DDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001137835323 859983970 /nfs/dbraw/zinc/98/39/70/859983970.db2.gz CQMGJDVYLSLXLK-JKSUJKDBSA-N 2 1 307.413 1.742 20 10 DDCDMP COc1cc(CN2CCC[N@@H+](C)CC2)cc(C[NH+](C)C)c1O ZINC001139253156 860337036 /nfs/dbraw/zinc/33/70/36/860337036.db2.gz NYBGBGCLFHQDSW-UHFFFAOYSA-N 2 1 307.438 1.600 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256291 860338557 /nfs/dbraw/zinc/33/85/57/860338557.db2.gz XYNYXMUDYGJELD-WFASDCNBSA-N 2 1 308.422 1.665 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@@H](O)C3)cc2)CC1 ZINC001139404625 860388392 /nfs/dbraw/zinc/38/83/92/860388392.db2.gz RAXBRJAXMOAJDW-SJORKVTESA-N 2 1 307.413 1.343 20 10 DDCDMP CN1CCOc2cc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)ccc21 ZINC001205231180 871448358 /nfs/dbraw/zinc/44/83/58/871448358.db2.gz XLIQYEFYCJVUNN-KRWDZBQOSA-N 2 1 305.422 1.191 20 10 DDCDMP Oc1cc(Cl)c(F)cc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104867 880258380 /nfs/dbraw/zinc/25/83/80/880258380.db2.gz OOQIFBWRKDFTOP-UHFFFAOYSA-N 2 1 313.804 1.712 20 10 DDCDMP Oc1cc(Cl)c(F)cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104867 880258395 /nfs/dbraw/zinc/25/83/95/880258395.db2.gz OOQIFBWRKDFTOP-UHFFFAOYSA-N 2 1 313.804 1.712 20 10 DDCDMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235808790 888966953 /nfs/dbraw/zinc/96/69/53/888966953.db2.gz GTROMPKMVUMORQ-QDMKHBRRSA-N 3 1 303.406 1.328 20 10 DDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(CC(=O)OC)cc3O)C[C@@H]2C1 ZINC001249216532 893871104 /nfs/dbraw/zinc/87/11/04/893871104.db2.gz CPGCOJOKLOQOTK-IYBDPMFKSA-N 2 1 318.417 1.491 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(CC(=O)OC)cc3O)C[C@@H]2C1 ZINC001249216532 893871120 /nfs/dbraw/zinc/87/11/20/893871120.db2.gz CPGCOJOKLOQOTK-IYBDPMFKSA-N 2 1 318.417 1.491 20 10 DDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(CC(=O)OC)cc3O)C[C@@H]2C1 ZINC001249216532 893871139 /nfs/dbraw/zinc/87/11/39/893871139.db2.gz CPGCOJOKLOQOTK-IYBDPMFKSA-N 2 1 318.417 1.491 20 10 DDCDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775687405 698023218 /nfs/dbraw/zinc/02/32/18/698023218.db2.gz YZYGXTDLIKDDGI-QGZVFWFLSA-N 2 1 316.493 1.964 20 10 DDCDMP CCN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775687405 698023223 /nfs/dbraw/zinc/02/32/23/698023223.db2.gz YZYGXTDLIKDDGI-QGZVFWFLSA-N 2 1 316.493 1.964 20 10 DDCDMP CCN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775687405 698023224 /nfs/dbraw/zinc/02/32/24/698023224.db2.gz YZYGXTDLIKDDGI-QGZVFWFLSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816660662 702137414 /nfs/dbraw/zinc/13/74/14/702137414.db2.gz LRZGOTPRNBYFGO-SFHVURJKSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[C@H]1C[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816660662 702137416 /nfs/dbraw/zinc/13/74/16/702137416.db2.gz LRZGOTPRNBYFGO-SFHVURJKSA-N 2 1 316.493 1.964 20 10 DDCDMP CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816660662 702137417 /nfs/dbraw/zinc/13/74/17/702137417.db2.gz LRZGOTPRNBYFGO-SFHVURJKSA-N 2 1 316.493 1.964 20 10 DDCDMP COc1ccc(O)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000841088076 702341270 /nfs/dbraw/zinc/34/12/70/702341270.db2.gz VZSBGDQNHBUDQF-UHFFFAOYSA-N 2 1 319.449 1.707 20 10 DDCDMP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](O)CO ZINC000817417634 702375354 /nfs/dbraw/zinc/37/53/54/702375354.db2.gz MCLXBTBKEMXQMF-SFHVURJKSA-N 2 1 321.465 1.002 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)cc2)CC1 ZINC000814172633 702489233 /nfs/dbraw/zinc/48/92/33/702489233.db2.gz WQIUWZMTAXBIBU-PIIMJCKOSA-N 2 1 301.434 1.109 20 10 DDCDMP COc1c(O)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843048480 702807749 /nfs/dbraw/zinc/80/77/49/702807749.db2.gz BICYHVSULWWHHP-SNVBAGLBSA-N 2 1 309.366 1.868 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000843123182 702824009 /nfs/dbraw/zinc/82/40/09/702824009.db2.gz IRYSPYVGKILWOR-KRWDZBQOSA-N 2 1 306.406 1.985 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000843123182 702824012 /nfs/dbraw/zinc/82/40/12/702824012.db2.gz IRYSPYVGKILWOR-KRWDZBQOSA-N 2 1 306.406 1.985 20 10 DDCDMP COc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122924 702824044 /nfs/dbraw/zinc/82/40/44/702824044.db2.gz XDZYUJNUIBKUHL-AWEZNQCLSA-N 2 1 321.421 1.220 20 10 DDCDMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125420 702824982 /nfs/dbraw/zinc/82/49/82/702824982.db2.gz WCGJEIRBNVVVSF-AWEZNQCLSA-N 2 1 306.406 1.588 20 10 DDCDMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125421 702825069 /nfs/dbraw/zinc/82/50/69/702825069.db2.gz WCGJEIRBNVVVSF-CQSZACIVSA-N 2 1 306.406 1.588 20 10 DDCDMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844612 703340848 /nfs/dbraw/zinc/34/08/48/703340848.db2.gz HSMPDMHOGZCRGL-MAUKXSAKSA-N 2 1 321.465 1.486 20 10 DDCDMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844612 703340849 /nfs/dbraw/zinc/34/08/49/703340849.db2.gz HSMPDMHOGZCRGL-MAUKXSAKSA-N 2 1 321.465 1.486 20 10 DDCDMP CN1CCCc2cc(C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)ccc21 ZINC000818985657 704043417 /nfs/dbraw/zinc/04/34/17/704043417.db2.gz XVCJSZCBBFVHGS-KRWDZBQOSA-N 2 1 303.450 1.614 20 10 DDCDMP CN1CCCc2cc(C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)ccc21 ZINC000818985657 704043421 /nfs/dbraw/zinc/04/34/21/704043421.db2.gz XVCJSZCBBFVHGS-KRWDZBQOSA-N 2 1 303.450 1.614 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1COCCO1 ZINC000827140055 705938270 /nfs/dbraw/zinc/93/82/70/705938270.db2.gz GVQUONGDGXEGQO-SFHVURJKSA-N 2 1 319.449 1.286 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCN(C=O)CC3)cc2)CC1 ZINC000827872532 706079237 /nfs/dbraw/zinc/07/92/37/706079237.db2.gz XHMSHQLYWXKSIW-UHFFFAOYSA-N 2 1 316.449 1.103 20 10 DDCDMP CCn1ccnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283553 707965088 /nfs/dbraw/zinc/96/50/88/707965088.db2.gz JPHABKHKZQEFNI-UHFFFAOYSA-N 2 1 313.449 1.945 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206209722 777315797 /nfs/dbraw/zinc/31/57/97/777315797.db2.gz ISFHGGJYEGCYFS-KBPBESRZSA-N 2 1 310.369 1.369 20 10 DDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001275821636 853818817 /nfs/dbraw/zinc/81/88/17/853818817.db2.gz WQOJHAZTRPHQAD-GJZGRUSLSA-N 2 1 305.422 1.308 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC4(CC4)C3)cc2)CC1 ZINC001139410852 860390254 /nfs/dbraw/zinc/39/02/54/860390254.db2.gz IPNAQOHBGUBITF-UHFFFAOYSA-N 2 1 301.434 1.803 20 10 DDCDMP CN1CCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329066016 863454583 /nfs/dbraw/zinc/45/45/83/863454583.db2.gz DEQZESNYNSKVIK-INIZCTEOSA-N 2 1 320.456 1.761 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC34CC(O)C4)cc2F)CC1 ZINC001334336493 867496965 /nfs/dbraw/zinc/49/69/65/867496965.db2.gz NUNNSRYFEMSIEE-GMXGEUMGSA-N 2 1 319.424 1.581 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cc2F)CC1 ZINC001325626546 868193878 /nfs/dbraw/zinc/19/38/78/868193878.db2.gz QYCDQIFPBJIRIC-GDBMZVCRSA-N 3 1 320.456 1.795 20 10 DDCDMP COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205689407 871702041 /nfs/dbraw/zinc/70/20/41/871702041.db2.gz ODOCTIGOOXIIOH-KRWDZBQOSA-N 2 1 307.438 1.437 20 10 DDCDMP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205844831 871857929 /nfs/dbraw/zinc/85/79/29/871857929.db2.gz YMORCAPIGVAPLJ-RHSMWYFYSA-N 3 1 318.465 1.361 20 10 DDCDMP [NH3+][C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@H]1O ZINC001205958694 871955033 /nfs/dbraw/zinc/95/50/33/871955033.db2.gz DTJLZSBPJQPWEP-IAGOWNOFSA-N 2 1 301.434 1.279 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@H]1O ZINC001205958694 871955043 /nfs/dbraw/zinc/95/50/43/871955043.db2.gz DTJLZSBPJQPWEP-IAGOWNOFSA-N 2 1 301.434 1.279 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@@H](O)C3)cc2F)CC1 ZINC001343495509 872646129 /nfs/dbraw/zinc/64/61/29/872646129.db2.gz CAQZQSHUWHTWLH-GOEBONIOSA-N 2 1 321.440 1.828 20 10 DDCDMP CN(C)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(Cl)c1 ZINC001234992325 888317679 /nfs/dbraw/zinc/31/76/79/888317679.db2.gz YJYKLXIQDZMSMR-MRXNPFEDSA-N 2 1 308.857 1.543 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)C[NH2+]CCO2 ZINC001235265208 888520089 /nfs/dbraw/zinc/52/00/89/888520089.db2.gz BUYVJYHSGOHPCX-IUODEOHRSA-N 3 1 303.406 1.058 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)C[NH2+]CCO2 ZINC001235265208 888520104 /nfs/dbraw/zinc/52/01/04/888520104.db2.gz BUYVJYHSGOHPCX-IUODEOHRSA-N 3 1 303.406 1.058 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CCC[NH2+]C1 ZINC001235956260 889028127 /nfs/dbraw/zinc/02/81/27/889028127.db2.gz BLRZBYHPMPIJEH-OAHLLOKOSA-N 3 1 318.465 1.233 20 10 DDCDMP CC(C)[C@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246173764 892461335 /nfs/dbraw/zinc/46/13/35/892461335.db2.gz MJPYMHFUFYRLNI-PKOBYXMFSA-N 2 1 316.493 1.962 20 10 DDCDMP Nc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC001262487154 900193922 /nfs/dbraw/zinc/19/39/22/900193922.db2.gz LQTPRSGLTKHXMN-NVXWUHKLSA-N 2 1 316.449 1.349 20 10 DDCDMP CCC[N@@H+](CCC(=O)N1CCN(C)CC1)Cc1ccccc1O ZINC000282627578 409059826 /nfs/dbraw/zinc/05/98/26/409059826.db2.gz ANFUTJSEPGICMH-UHFFFAOYSA-N 2 1 319.449 1.768 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000776257490 698089010 /nfs/dbraw/zinc/08/90/10/698089010.db2.gz LTZCAOQVVFMPED-UHFFFAOYSA-N 3 1 314.477 1.790 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]CC3=CC[N@H+](C)CC3)cc2)CC1 ZINC000776257490 698089016 /nfs/dbraw/zinc/08/90/16/698089016.db2.gz LTZCAOQVVFMPED-UHFFFAOYSA-N 2 1 314.477 1.790 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+]CC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000776257490 698089020 /nfs/dbraw/zinc/08/90/20/698089020.db2.gz LTZCAOQVVFMPED-UHFFFAOYSA-N 2 1 314.477 1.790 20 10 DDCDMP COc1c(O)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000841029165 702315566 /nfs/dbraw/zinc/31/55/66/702315566.db2.gz VCTXNTZNQCRMBI-PWSUYJOCSA-N 2 1 309.366 1.916 20 10 DDCDMP Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1O ZINC000841094583 702344094 /nfs/dbraw/zinc/34/40/94/702344094.db2.gz YVKHNYSSCGBKHJ-NSHDSACASA-N 2 1 303.200 1.215 20 10 DDCDMP COc1c(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100109 702346375 /nfs/dbraw/zinc/34/63/75/702346375.db2.gz UVODBEPOLUEUPC-ZYHUDNBSSA-N 2 1 309.366 1.726 20 10 DDCDMP COc1c(O)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100109 702346383 /nfs/dbraw/zinc/34/63/83/702346383.db2.gz UVODBEPOLUEUPC-ZYHUDNBSSA-N 2 1 309.366 1.726 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000844222464 702996206 /nfs/dbraw/zinc/99/62/06/702996206.db2.gz GASZPXQMQHJRFZ-INIZCTEOSA-N 2 1 318.465 1.430 20 10 DDCDMP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846052976 703231015 /nfs/dbraw/zinc/23/10/15/703231015.db2.gz KDZBRTXDYROEPL-QZTJIDSGSA-N 2 1 319.449 1.020 20 10 DDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@]2(C)C1 ZINC000904436423 711858280 /nfs/dbraw/zinc/85/82/80/711858280.db2.gz KZZYQIFOMOXPQR-VMGRFDJRSA-N 2 1 304.390 1.202 20 10 DDCDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@]2(C)C1 ZINC000904436423 711858282 /nfs/dbraw/zinc/85/82/82/711858282.db2.gz KZZYQIFOMOXPQR-VMGRFDJRSA-N 2 1 304.390 1.202 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@]2(C)C1 ZINC000904436423 711858283 /nfs/dbraw/zinc/85/82/83/711858283.db2.gz KZZYQIFOMOXPQR-VMGRFDJRSA-N 2 1 304.390 1.202 20 10 DDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@]2(C)C1 ZINC000904436423 711858284 /nfs/dbraw/zinc/85/82/84/711858284.db2.gz KZZYQIFOMOXPQR-VMGRFDJRSA-N 2 1 304.390 1.202 20 10 DDCDMP Cn1cc[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327375343 862116088 /nfs/dbraw/zinc/11/60/88/862116088.db2.gz LLNIQQSEUVXCNY-UHFFFAOYSA-N 2 1 303.385 1.923 20 10 DDCDMP COc1cc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139257827 860338167 /nfs/dbraw/zinc/33/81/67/860338167.db2.gz HSPXCUCWOIUOQV-XJKSGUPXSA-N 2 1 306.406 1.683 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC3COC3)cc2)CC1 ZINC001140304630 860614913 /nfs/dbraw/zinc/61/49/13/860614913.db2.gz WPELJWOFYLLFAY-UHFFFAOYSA-N 2 1 303.450 1.907 20 10 DDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1O ZINC001206525641 872412784 /nfs/dbraw/zinc/41/27/84/872412784.db2.gz WONHMSGGJCLRPW-IRXDYDNUSA-N 2 1 301.434 1.137 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)c(F)c2)CC1 ZINC001236933891 889431261 /nfs/dbraw/zinc/43/12/61/889431261.db2.gz AQPBOKNGEZACGC-IYBDPMFKSA-N 2 1 319.424 1.656 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246174338 892462487 /nfs/dbraw/zinc/46/24/87/892462487.db2.gz OWYYIPBRLRRRDZ-BJWYYQGGSA-N 2 1 300.450 1.469 20 10 DDCDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000185341864 408797033 /nfs/dbraw/zinc/79/70/33/408797033.db2.gz FFRYINIGBYQNNF-GFCCVEGCSA-N 2 1 309.385 1.346 20 10 DDCDMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1O ZINC000180616764 524397525 /nfs/dbraw/zinc/39/75/25/524397525.db2.gz QTFFBZJFSRUSEE-INIZCTEOSA-N 2 1 317.433 1.439 20 10 DDCDMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1O ZINC000180616764 524397535 /nfs/dbraw/zinc/39/75/35/524397535.db2.gz QTFFBZJFSRUSEE-INIZCTEOSA-N 2 1 317.433 1.439 20 10 DDCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000068722639 696376174 /nfs/dbraw/zinc/37/61/74/696376174.db2.gz RAZSZFPWIARIRA-KRWDZBQOSA-N 2 1 303.450 1.955 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)N1C ZINC000816653393 702136624 /nfs/dbraw/zinc/13/66/24/702136624.db2.gz QGHNNVSZYAERHR-CALCHBBNSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[N@H+]1C ZINC000816653393 702136627 /nfs/dbraw/zinc/13/66/27/702136627.db2.gz QGHNNVSZYAERHR-CALCHBBNSA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[N@@H+]1C ZINC000816653393 702136628 /nfs/dbraw/zinc/13/66/28/702136628.db2.gz QGHNNVSZYAERHR-CALCHBBNSA-N 2 1 316.493 1.963 20 10 DDCDMP Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843047533 702807948 /nfs/dbraw/zinc/80/79/48/702807948.db2.gz VFAKYXFMRJCQJB-MRXNPFEDSA-N 2 1 317.433 1.344 20 10 DDCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000843048118 702807962 /nfs/dbraw/zinc/80/79/62/702807962.db2.gz NUKMHMDKPBPFAZ-ZDUSSCGKSA-N 2 1 321.421 1.078 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844222606 702996201 /nfs/dbraw/zinc/99/62/01/702996201.db2.gz IXWBHBXSKGWNTR-HIFRSBDPSA-N 2 1 304.438 1.038 20 10 DDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844222606 702996203 /nfs/dbraw/zinc/99/62/03/702996203.db2.gz IXWBHBXSKGWNTR-HIFRSBDPSA-N 2 1 304.438 1.038 20 10 DDCDMP COc1cccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1O ZINC000846146051 703242432 /nfs/dbraw/zinc/24/24/32/703242432.db2.gz PIMREUISWJLPAR-CYBMUJFWSA-N 2 1 321.421 1.216 20 10 DDCDMP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000819094642 704069036 /nfs/dbraw/zinc/06/90/36/704069036.db2.gz JQMURZPFXRMNAP-GOSISDBHSA-N 2 1 301.434 1.608 20 10 DDCDMP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000819094642 704069038 /nfs/dbraw/zinc/06/90/38/704069038.db2.gz JQMURZPFXRMNAP-GOSISDBHSA-N 2 1 301.434 1.608 20 10 DDCDMP Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000876995989 705952413 /nfs/dbraw/zinc/95/24/13/705952413.db2.gz LNZPAUNIBWVJRF-MRXNPFEDSA-N 2 1 319.449 1.733 20 10 DDCDMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000876995989 705952416 /nfs/dbraw/zinc/95/24/16/705952416.db2.gz LNZPAUNIBWVJRF-MRXNPFEDSA-N 2 1 319.449 1.733 20 10 DDCDMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877111839 705986980 /nfs/dbraw/zinc/98/69/80/705986980.db2.gz MNGMRSDXVDVBKA-GOSISDBHSA-N 2 1 321.465 1.050 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C[NH3+] ZINC000923494532 714377510 /nfs/dbraw/zinc/37/75/10/714377510.db2.gz YPMGPDVCMIGEQI-DOTOQJQBSA-N 2 1 303.450 1.940 20 10 DDCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)cc1 ZINC000925710960 714919386 /nfs/dbraw/zinc/91/93/86/714919386.db2.gz CPJFYJNFOYABNY-WERNOVKHSA-N 2 1 313.445 1.860 20 10 DDCDMP CC[NH+]1CCN(c2ccc(CN3CC4(CC[N@H+]4C)C3)cc2)CC1 ZINC001275194965 852881491 /nfs/dbraw/zinc/88/14/91/852881491.db2.gz VRCAFZDVHYESNT-UHFFFAOYSA-N 2 1 314.477 1.718 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@](C)(CO)C2)cc(C[NH+](C)C)c1O ZINC001139253989 860336168 /nfs/dbraw/zinc/33/61/68/860336168.db2.gz AIMRGPNLQPVRGC-KRWDZBQOSA-N 2 1 308.422 1.667 20 10 DDCDMP COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001322090078 867973528 /nfs/dbraw/zinc/97/35/28/867973528.db2.gz YIFONNKZBXSEFY-HNNXBMFYSA-N 2 1 321.465 1.938 20 10 DDCDMP CN(C)c1ccc([C@H](CNc2cc[nH+]c(N)n2)[NH+](C)C)cc1 ZINC001336735349 869115560 /nfs/dbraw/zinc/11/55/60/869115560.db2.gz LYASSBIKPUFHDF-AWEZNQCLSA-N 2 1 300.410 1.840 20 10 DDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205016885 871325032 /nfs/dbraw/zinc/32/50/32/871325032.db2.gz LJOHGYSGGGPYID-OAHLLOKOSA-N 3 1 318.465 1.233 20 10 DDCDMP Cc1nnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1C ZINC001308238090 871482010 /nfs/dbraw/zinc/48/20/10/871482010.db2.gz OBQUEGYXCMKTTF-UHFFFAOYSA-N 2 1 314.437 1.165 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(O)CC3)cc2F)CC1 ZINC001341523699 871693298 /nfs/dbraw/zinc/69/32/98/871693298.db2.gz HCVCPMHIILOLPF-UHFFFAOYSA-N 2 1 307.413 1.534 20 10 DDCDMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205939377 871941528 /nfs/dbraw/zinc/94/15/28/871941528.db2.gz QKTORDVWAVJMOU-OAHLLOKOSA-N 3 1 304.438 1.115 20 10 DDCDMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001205939377 871941534 /nfs/dbraw/zinc/94/15/34/871941534.db2.gz QKTORDVWAVJMOU-OAHLLOKOSA-N 3 1 304.438 1.115 20 10 DDCDMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001206767752 872562642 /nfs/dbraw/zinc/56/26/42/872562642.db2.gz DYGWJAQSKKAIRL-RDJZCZTQSA-N 3 1 302.466 1.655 20 10 DDCDMP C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349673341 875295850 /nfs/dbraw/zinc/29/58/50/875295850.db2.gz DROLQUULOOIVDT-GOEBONIOSA-N 2 1 320.456 1.889 20 10 DDCDMP COc1cc(Cl)cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234993721 888320669 /nfs/dbraw/zinc/32/06/69/888320669.db2.gz VWQLJZGXVZSKIC-HNNXBMFYSA-N 2 1 311.813 1.192 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235143995 888435148 /nfs/dbraw/zinc/43/51/48/888435148.db2.gz HPLZTMSXPBENKC-UHFFFAOYSA-N 3 1 314.477 1.814 20 10 DDCDMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236754799 889331147 /nfs/dbraw/zinc/33/11/47/889331147.db2.gz VBYVHHFBCZLOSY-KBPBESRZSA-N 2 1 306.406 1.793 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CCC[N@@H+](C)CC3)c(F)c2)CC1 ZINC001236929247 889425809 /nfs/dbraw/zinc/42/58/09/889425809.db2.gz CFJCBHPKWRKVSC-UHFFFAOYSA-N 2 1 320.456 1.715 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000843060762 702810483 /nfs/dbraw/zinc/81/04/83/702810483.db2.gz PECXYUSFYKRUAH-SFHVURJKSA-N 2 1 303.450 1.955 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000844900630 703082300 /nfs/dbraw/zinc/08/23/00/703082300.db2.gz BTCMIHKFNSOTEK-GUYCJALGSA-N 2 1 306.406 1.970 20 10 DDCDMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846219954 703252498 /nfs/dbraw/zinc/25/24/98/703252498.db2.gz DMMMJDLNGVPNGL-KRWDZBQOSA-N 2 1 307.438 1.178 20 10 DDCDMP CCN(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846765947 703328347 /nfs/dbraw/zinc/32/83/47/703328347.db2.gz GGFJXCXCJOVURW-GOSISDBHSA-N 2 1 321.465 1.268 20 10 DDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000876506251 705738017 /nfs/dbraw/zinc/73/80/17/705738017.db2.gz HRYAMVFOBPQGDA-BBRMVZONSA-N 2 1 304.438 1.210 20 10 DDCDMP Cc1cc(Br)c(O)c(C[NH2+]CCOCCC[NH3+])c1 ZINC000863486907 705939301 /nfs/dbraw/zinc/93/93/01/705939301.db2.gz OCODBEJYROPDBF-UHFFFAOYSA-N 2 1 317.227 1.918 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000832274700 706882526 /nfs/dbraw/zinc/88/25/26/706882526.db2.gz XPUABSIFKUOPAR-CVEARBPZSA-N 2 1 304.438 1.353 20 10 DDCDMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851629 707392804 /nfs/dbraw/zinc/39/28/04/707392804.db2.gz NXJWASNGUDMPLS-INIZCTEOSA-N 2 1 316.449 1.006 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000903979258 711356400 /nfs/dbraw/zinc/35/64/00/711356400.db2.gz ZVQZIHJDJOGRQG-GHJWDPDVSA-N 2 1 308.353 1.244 20 10 DDCDMP CN(C)CC[N@H+]1CCC2(CN(Cc3ccc(O)c(O)c3)C2)C1 ZINC001275821239 853817780 /nfs/dbraw/zinc/81/77/80/853817780.db2.gz LDGUPBCSQVSDRO-UHFFFAOYSA-N 2 1 305.422 1.167 20 10 DDCDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1O ZINC001275953274 854011746 /nfs/dbraw/zinc/01/17/46/854011746.db2.gz VQZLHCCBFRPHFK-MQVJKMGUSA-N 2 1 319.449 1.744 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139258321 860339156 /nfs/dbraw/zinc/33/91/56/860339156.db2.gz PJSBYHMLJNZOEN-WFASDCNBSA-N 2 1 308.422 1.808 20 10 DDCDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001140949449 860744687 /nfs/dbraw/zinc/74/46/87/860744687.db2.gz CEAGFOPJIVKYBK-DLBZAZTESA-N 2 1 303.450 1.911 20 10 DDCDMP CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1O ZINC001319729481 866259806 /nfs/dbraw/zinc/25/98/06/866259806.db2.gz QXUNFLMEACABSZ-YJBOKZPZSA-N 2 1 321.440 1.780 20 10 DDCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1O ZINC001319729481 866259819 /nfs/dbraw/zinc/25/98/19/866259819.db2.gz QXUNFLMEACABSZ-YJBOKZPZSA-N 2 1 321.440 1.780 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CO)C3)cc2F)CC1 ZINC001324167224 867118284 /nfs/dbraw/zinc/11/82/84/867118284.db2.gz MDRUFDXRLDCVLB-INIZCTEOSA-N 2 1 321.440 1.782 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CO)C3)cc2F)CC1 ZINC001324167224 867118295 /nfs/dbraw/zinc/11/82/95/867118295.db2.gz MDRUFDXRLDCVLB-INIZCTEOSA-N 2 1 321.440 1.782 20 10 DDCDMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205110110 871367042 /nfs/dbraw/zinc/36/70/42/871367042.db2.gz OWFKUBOFVZXHAZ-OAHLLOKOSA-N 2 1 307.413 1.976 20 10 DDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205110110 871367064 /nfs/dbraw/zinc/36/70/64/871367064.db2.gz OWFKUBOFVZXHAZ-OAHLLOKOSA-N 2 1 307.413 1.976 20 10 DDCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205912962 871923522 /nfs/dbraw/zinc/92/35/22/871923522.db2.gz FKIREZCQJZRGLV-LSDHHAIUSA-N 3 1 318.465 1.361 20 10 DDCDMP CC[N@@H+](CCC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236934133 889430516 /nfs/dbraw/zinc/43/05/16/889430516.db2.gz CAIOKMOOAKMYBT-UHFFFAOYSA-N 2 1 322.428 1.275 20 10 DDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[N@H+]1C ZINC001236939755 889432901 /nfs/dbraw/zinc/43/29/01/889432901.db2.gz UQRNTZKGOSRCAX-OAHLLOKOSA-N 2 1 320.456 1.713 20 10 DDCDMP COC[C@H]1CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945093 889435084 /nfs/dbraw/zinc/43/50/84/889435084.db2.gz HWKAVBQRGUSRGR-MRXNPFEDSA-N 2 1 307.413 1.798 20 10 DDCDMP COC[C@H]1CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945093 889435091 /nfs/dbraw/zinc/43/50/91/889435091.db2.gz HWKAVBQRGUSRGR-MRXNPFEDSA-N 2 1 307.413 1.798 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(OC)c1 ZINC001237401514 889616537 /nfs/dbraw/zinc/61/65/37/889616537.db2.gz DGGUDIVDWHGTFI-IUODEOHRSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(OC)c1 ZINC001237401514 889616541 /nfs/dbraw/zinc/61/65/41/889616541.db2.gz DGGUDIVDWHGTFI-IUODEOHRSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1c([O-])c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278570051 409084846 /nfs/dbraw/zinc/08/48/46/409084846.db2.gz CNZSFMXRAMZELQ-NSHDSACASA-N 2 1 321.377 1.883 20 10 DDCDMP CC[N@@H+](CC(=O)N(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775652177 698019015 /nfs/dbraw/zinc/01/90/15/698019015.db2.gz GHJKQKGDOHYEQX-UHFFFAOYSA-N 2 1 318.465 1.349 20 10 DDCDMP CCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(O)c1 ZINC000729684611 699485193 /nfs/dbraw/zinc/48/51/93/699485193.db2.gz UIJKPVLUYQMTSN-UHFFFAOYSA-N 2 1 321.465 1.908 20 10 DDCDMP CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1F ZINC000762568807 700898604 /nfs/dbraw/zinc/89/86/04/700898604.db2.gz NTFFSPPEUBBSPE-KRWDZBQOSA-N 2 1 309.429 1.828 20 10 DDCDMP CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1F ZINC000762568807 700898605 /nfs/dbraw/zinc/89/86/05/700898605.db2.gz NTFFSPPEUBBSPE-KRWDZBQOSA-N 2 1 309.429 1.828 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](O)C1CC1 ZINC000809751826 701685816 /nfs/dbraw/zinc/68/58/16/701685816.db2.gz LPYVKMLTDIMAMR-SFHVURJKSA-N 2 1 303.450 1.641 20 10 DDCDMP C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)C[NH3+] ZINC000841091789 702342113 /nfs/dbraw/zinc/34/21/13/702342113.db2.gz GEUHBVUKZZGZRW-MRXNPFEDSA-N 2 1 316.401 1.723 20 10 DDCDMP C[NH2+]C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000843049516 702808208 /nfs/dbraw/zinc/80/82/08/702808208.db2.gz NQFYENMDPWAMEV-UHFFFAOYSA-N 3 1 302.466 1.622 20 10 DDCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000843121938 702823746 /nfs/dbraw/zinc/82/37/46/702823746.db2.gz LVINCMFTMYAHOM-CQSZACIVSA-N 2 1 321.421 1.220 20 10 DDCDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC000843123587 702824267 /nfs/dbraw/zinc/82/42/67/702824267.db2.gz SFKYIUJZFFEXTB-OAHLLOKOSA-N 2 1 309.841 1.834 20 10 DDCDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834570078 707088332 /nfs/dbraw/zinc/08/83/32/707088332.db2.gz CLBQGFGSYVIZOT-GJZGRUSLSA-N 2 1 317.433 1.557 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3CCOCC3)cc2F)CC1 ZINC001199419767 747827429 /nfs/dbraw/zinc/82/74/29/747827429.db2.gz ADYRECONCLFQIR-UHFFFAOYSA-N 2 1 307.413 1.846 20 10 DDCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cc(O)c(O)cc1O)C2 ZINC001172108129 776648578 /nfs/dbraw/zinc/64/85/78/776648578.db2.gz QDUPIKIUXGOMLB-BTTYYORXSA-N 2 1 306.406 1.951 20 10 DDCDMP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001176057761 778031382 /nfs/dbraw/zinc/03/13/82/778031382.db2.gz SCBYWCVKPXWXHM-MRXNPFEDSA-N 2 1 319.449 1.551 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139256613 860337949 /nfs/dbraw/zinc/33/79/49/860337949.db2.gz FCWLWMFSRHCEPX-KRWDZBQOSA-N 2 1 308.422 1.809 20 10 DDCDMP COc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1Cl ZINC001205248908 871458894 /nfs/dbraw/zinc/45/88/94/871458894.db2.gz SVHDANQONLCRFM-OAHLLOKOSA-N 2 1 314.813 1.730 20 10 DDCDMP COc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1Cl ZINC001205248908 871458908 /nfs/dbraw/zinc/45/89/08/871458908.db2.gz SVHDANQONLCRFM-OAHLLOKOSA-N 2 1 314.813 1.730 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651210 871677177 /nfs/dbraw/zinc/67/71/77/871677177.db2.gz BBNBYUOXWRDSRH-KGLIPLIRSA-N 3 1 319.449 1.681 20 10 DDCDMP C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651210 871677185 /nfs/dbraw/zinc/67/71/85/871677185.db2.gz BBNBYUOXWRDSRH-KGLIPLIRSA-N 2 1 319.449 1.681 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651210 871677190 /nfs/dbraw/zinc/67/71/90/871677190.db2.gz BBNBYUOXWRDSRH-KGLIPLIRSA-N 2 1 319.449 1.681 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC001353899870 877638558 /nfs/dbraw/zinc/63/85/58/877638558.db2.gz QMBVVVMEZIIPFU-JKSUJKDBSA-N 3 1 320.456 1.937 20 10 DDCDMP CC(C)c1ccc(C[NH+]2CCNCC[NH2+]CCNCC2)c(O)c1 ZINC001235874836 888993985 /nfs/dbraw/zinc/99/39/85/888993985.db2.gz VLUZJADJEZOLMU-UHFFFAOYSA-N 2 1 320.481 1.100 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(Cl)c1 ZINC001235999341 889056390 /nfs/dbraw/zinc/05/63/90/889056390.db2.gz ARURZZIHTXFIGF-WYPFBEBGSA-N 2 1 312.797 1.460 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(Cl)c1 ZINC001235999341 889056401 /nfs/dbraw/zinc/05/64/01/889056401.db2.gz ARURZZIHTXFIGF-WYPFBEBGSA-N 2 1 312.797 1.460 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CCOC1 ZINC001236934082 889429811 /nfs/dbraw/zinc/42/98/11/889429811.db2.gz CHVGKZLVVVRZGO-MRXNPFEDSA-N 2 1 307.413 1.798 20 10 DDCDMP Cc1cc(F)cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001238067332 890009055 /nfs/dbraw/zinc/00/90/55/890009055.db2.gz OFTXMLQRPWSOTD-OAHLLOKOSA-N 2 1 323.412 1.482 20 10 DDCDMP Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1O ZINC001238067332 890009071 /nfs/dbraw/zinc/00/90/71/890009071.db2.gz OFTXMLQRPWSOTD-OAHLLOKOSA-N 2 1 323.412 1.482 20 10 DDCDMP CCN1CC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001262031391 899901439 /nfs/dbraw/zinc/90/14/39/899901439.db2.gz PXBMKCHXSJYEQE-MRXNPFEDSA-N 2 1 320.456 1.761 20 10 DDCDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179583430 407809548 /nfs/dbraw/zinc/80/95/48/407809548.db2.gz JDDHLRBVRJGIHX-OAHLLOKOSA-N 2 1 303.406 1.131 20 10 DDCDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179583430 407809553 /nfs/dbraw/zinc/80/95/53/407809553.db2.gz JDDHLRBVRJGIHX-OAHLLOKOSA-N 2 1 303.406 1.131 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)cc2)CC1 ZINC000802656110 700415883 /nfs/dbraw/zinc/41/58/83/700415883.db2.gz DNKOMTRKMVOHKP-HDICACEKSA-N 2 1 317.433 1.038 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@H](C3)O4)cc2)CC1 ZINC000802656110 700415885 /nfs/dbraw/zinc/41/58/85/700415885.db2.gz DNKOMTRKMVOHKP-HDICACEKSA-N 2 1 317.433 1.038 20 10 DDCDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)ccc1O ZINC000756551628 700627581 /nfs/dbraw/zinc/62/75/81/700627581.db2.gz VYMNABGMMPMYMK-OLZOCXBDSA-N 2 1 323.412 1.769 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](O)CC3)cc2)CC1 ZINC000816667117 702138063 /nfs/dbraw/zinc/13/80/63/702138063.db2.gz CVRBJGPTEZIEBB-SFHVURJKSA-N 2 1 303.450 1.785 20 10 DDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000840938905 702286712 /nfs/dbraw/zinc/28/67/12/702286712.db2.gz IABPEMFPEQMYPQ-UHFFFAOYSA-N 2 1 305.466 1.997 20 10 DDCDMP COc1cc(Br)cc(C[NH2+]C[C@H]([NH3+])C2CC2)c1O ZINC000841048314 702324352 /nfs/dbraw/zinc/32/43/52/702324352.db2.gz CQJBRNAZLULFGU-NSHDSACASA-N 2 1 315.211 1.990 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000841091615 702342428 /nfs/dbraw/zinc/34/24/28/702342428.db2.gz BVHVIJMMCWUAAX-CQSZACIVSA-N 2 1 322.409 1.337 20 10 DDCDMP C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000841091615 702342433 /nfs/dbraw/zinc/34/24/33/702342433.db2.gz BVHVIJMMCWUAAX-CQSZACIVSA-N 2 1 322.409 1.337 20 10 DDCDMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000817414645 702373852 /nfs/dbraw/zinc/37/38/52/702373852.db2.gz NDGNYYJJTAZXMV-CRAIPNDOSA-N 2 1 303.450 1.784 20 10 DDCDMP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000817889572 702509934 /nfs/dbraw/zinc/50/99/34/702509934.db2.gz PMOJIIXFBMDIOD-PVAVHDDUSA-N 2 1 316.449 1.358 20 10 DDCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894490 702511608 /nfs/dbraw/zinc/51/16/08/702511608.db2.gz LKLUHXFKLATZAF-CVEARBPZSA-N 2 1 307.413 1.756 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+](C3CC3)C3COC3)cc2)CC1 ZINC000824472347 705458874 /nfs/dbraw/zinc/45/88/74/705458874.db2.gz QSVYAEGYCHNVHT-UHFFFAOYSA-N 2 1 301.434 1.802 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)C3COC3)cc2)CC1 ZINC000824472347 705458876 /nfs/dbraw/zinc/45/88/76/705458876.db2.gz QSVYAEGYCHNVHT-UHFFFAOYSA-N 2 1 301.434 1.802 20 10 DDCDMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864787 711308416 /nfs/dbraw/zinc/30/84/16/711308416.db2.gz XAVMOFMCBPNHOJ-AEFFLSMTSA-N 2 1 301.434 1.836 20 10 DDCDMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864787 711308419 /nfs/dbraw/zinc/30/84/19/711308419.db2.gz XAVMOFMCBPNHOJ-AEFFLSMTSA-N 2 1 301.434 1.836 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC000904410301 711854399 /nfs/dbraw/zinc/85/43/99/711854399.db2.gz DPZHOZRSUDHKTO-SJLPKXTDSA-N 3 1 316.493 1.855 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC000904410301 711854400 /nfs/dbraw/zinc/85/44/00/711854400.db2.gz DPZHOZRSUDHKTO-SJLPKXTDSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC000904410301 711854401 /nfs/dbraw/zinc/85/44/01/711854401.db2.gz DPZHOZRSUDHKTO-SJLPKXTDSA-N 2 1 316.493 1.855 20 10 DDCDMP C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001331398708 865059931 /nfs/dbraw/zinc/05/99/31/865059931.db2.gz KJLLALHSXAIYRN-ZBFHGGJFSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001331398708 865059948 /nfs/dbraw/zinc/05/99/48/865059948.db2.gz KJLLALHSXAIYRN-ZBFHGGJFSA-N 2 1 321.440 1.780 20 10 DDCDMP Fc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1N1CCOCC1 ZINC001332947507 866280409 /nfs/dbraw/zinc/28/04/09/866280409.db2.gz ZABSDKVNKQIHLQ-UHFFFAOYSA-N 2 1 307.413 1.848 20 10 DDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001204273336 871033696 /nfs/dbraw/zinc/03/36/96/871033696.db2.gz AEBSSTKGTDZMNE-JKSUJKDBSA-N 2 1 305.422 1.308 20 10 DDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1C[NH3+] ZINC001205317915 871494868 /nfs/dbraw/zinc/49/48/68/871494868.db2.gz QRTFLJHSTZOLNY-GOEBONIOSA-N 3 1 318.465 1.219 20 10 DDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1F ZINC001206173338 872109809 /nfs/dbraw/zinc/10/98/09/872109809.db2.gz HCJCKFAWTCTALH-QZTJIDSGSA-N 2 1 321.440 1.909 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1F ZINC001206173338 872109829 /nfs/dbraw/zinc/10/98/29/872109829.db2.gz HCJCKFAWTCTALH-QZTJIDSGSA-N 2 1 321.440 1.909 20 10 DDCDMP COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206381250 872269963 /nfs/dbraw/zinc/26/99/63/872269963.db2.gz VLNGBCFGOXTIOJ-KRWDZBQOSA-N 2 1 324.396 1.761 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206381250 872269978 /nfs/dbraw/zinc/26/99/78/872269978.db2.gz VLNGBCFGOXTIOJ-KRWDZBQOSA-N 2 1 324.396 1.761 20 10 DDCDMP Oc1ccc(F)c(Cl)c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104998 880259898 /nfs/dbraw/zinc/25/98/98/880259898.db2.gz PTWKTPQQJAPUDG-UHFFFAOYSA-N 2 1 313.804 1.712 20 10 DDCDMP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222259663 880362207 /nfs/dbraw/zinc/36/22/07/880362207.db2.gz WKJWBBAGLWJDPR-SFHVURJKSA-N 2 1 318.417 1.826 20 10 DDCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222259663 880362215 /nfs/dbraw/zinc/36/22/15/880362215.db2.gz WKJWBBAGLWJDPR-SFHVURJKSA-N 2 1 318.417 1.826 20 10 DDCDMP Cc1cc(C)c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001231848591 885903785 /nfs/dbraw/zinc/90/37/85/885903785.db2.gz JKBNWJNKAUFGKL-OAHLLOKOSA-N 2 1 319.449 1.651 20 10 DDCDMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001231848591 885903807 /nfs/dbraw/zinc/90/38/07/885903807.db2.gz JKBNWJNKAUFGKL-OAHLLOKOSA-N 2 1 319.449 1.651 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001235107218 888413387 /nfs/dbraw/zinc/41/33/87/888413387.db2.gz YXNWUNLYWZOZIK-UHFFFAOYSA-N 3 1 300.450 1.424 20 10 DDCDMP CCC[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@@H]1CC[NH2+]C1 ZINC001236843835 889383628 /nfs/dbraw/zinc/38/36/28/889383628.db2.gz REWMRDYQTZIUKR-CQSZACIVSA-N 3 1 319.449 1.696 20 10 DDCDMP CCC[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C[C@@H]1CC[NH2+]C1 ZINC001236843835 889383644 /nfs/dbraw/zinc/38/36/44/889383644.db2.gz REWMRDYQTZIUKR-CQSZACIVSA-N 2 1 319.449 1.696 20 10 DDCDMP CCC[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C[C@@H]1CC[NH2+]C1 ZINC001236843835 889383659 /nfs/dbraw/zinc/38/36/59/889383659.db2.gz REWMRDYQTZIUKR-CQSZACIVSA-N 2 1 319.449 1.696 20 10 DDCDMP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236930642 889427755 /nfs/dbraw/zinc/42/77/55/889427755.db2.gz DXLJNTWLNMUOLL-PBHICJAKSA-N 2 1 321.440 1.923 20 10 DDCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000185116099 408760894 /nfs/dbraw/zinc/76/08/94/408760894.db2.gz VKXMQIVBGWRPLU-ZDUSSCGKSA-N 2 1 308.422 1.898 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000809784878 701689231 /nfs/dbraw/zinc/68/92/31/701689231.db2.gz KSXKPMQHOLFNGE-INIZCTEOSA-N 2 1 316.449 1.136 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C ZINC000843047945 702807811 /nfs/dbraw/zinc/80/78/11/702807811.db2.gz CRLFXVMQNOQFQT-AWEZNQCLSA-N 2 1 305.422 1.296 20 10 DDCDMP Cc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122902 702824065 /nfs/dbraw/zinc/82/40/65/702824065.db2.gz WPYIEBNOAZQFRM-OAHLLOKOSA-N 2 1 305.422 1.520 20 10 DDCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123618 702824764 /nfs/dbraw/zinc/82/47/64/702824764.db2.gz SXMBOCNPKHIIET-RTLBZRNLSA-N 2 1 314.477 1.745 20 10 DDCDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000853247600 704224594 /nfs/dbraw/zinc/22/45/94/704224594.db2.gz UXPGGNGILAIRNQ-GOSISDBHSA-N 2 1 304.482 1.901 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4COC[C@@]4(C)C3)cc2)CC1 ZINC000827280058 705967910 /nfs/dbraw/zinc/96/79/10/705967910.db2.gz CZLLBUMIYOTQFT-PKOBYXMFSA-N 2 1 315.461 1.907 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](F)C3)cc2)CC1 ZINC000898187411 708568416 /nfs/dbraw/zinc/56/84/16/708568416.db2.gz JIFUGFFVVOMJCT-IAGOWNOFSA-N 2 1 307.413 1.343 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@H](F)C3)cc2)CC1 ZINC000898187411 708568417 /nfs/dbraw/zinc/56/84/17/708568417.db2.gz JIFUGFFVVOMJCT-IAGOWNOFSA-N 2 1 307.413 1.343 20 10 DDCDMP COc1cc(C)cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1O ZINC000894376988 711094712 /nfs/dbraw/zinc/09/47/12/711094712.db2.gz XLVNAXXGKUJRSN-UHFFFAOYSA-N 2 1 321.465 1.826 20 10 DDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000903978939 711356128 /nfs/dbraw/zinc/35/61/28/711356128.db2.gz OYPPMJHZRMNZFR-VBQJREDUSA-N 2 1 304.390 1.413 20 10 DDCDMP CC[N@H+]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)[C@H](C)C1 ZINC001139260726 860341009 /nfs/dbraw/zinc/34/10/09/860341009.db2.gz WYRDJTLNLNATMX-CQSZACIVSA-N 2 1 321.465 1.988 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001140302524 860615461 /nfs/dbraw/zinc/61/54/61/860615461.db2.gz SYQPUKJELFHVFM-DLBZAZTESA-N 2 1 307.413 1.343 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001140302524 860615465 /nfs/dbraw/zinc/61/54/65/860615465.db2.gz SYQPUKJELFHVFM-DLBZAZTESA-N 2 1 307.413 1.343 20 10 DDCDMP C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)[NH2+]1 ZINC001326199421 861184536 /nfs/dbraw/zinc/18/45/36/861184536.db2.gz JHKVWTXJICGINX-GJZGRUSLSA-N 2 1 320.456 1.760 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001234997435 888320319 /nfs/dbraw/zinc/32/03/19/888320319.db2.gz CQRHUKGMXJNRTH-SFHVURJKSA-N 3 1 317.433 1.450 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001234997435 888320331 /nfs/dbraw/zinc/32/03/31/888320331.db2.gz CQRHUKGMXJNRTH-SFHVURJKSA-N 3 1 317.433 1.450 20 10 DDCDMP [NH3+]CCN(CC[NH3+])Cc1c(O)cc(Br)cc1F ZINC001235878104 888998145 /nfs/dbraw/zinc/99/81/45/888998145.db2.gz SZRJNKQOEDQVBY-UHFFFAOYSA-N 2 1 306.179 1.013 20 10 DDCDMP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236409483 889228087 /nfs/dbraw/zinc/22/80/87/889228087.db2.gz VDHGYKRCLQYIEH-OAHLLOKOSA-N 3 1 318.465 1.233 20 10 DDCDMP COc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000289386214 131381549 /nfs/dbraw/zinc/38/15/49/131381549.db2.gz DFZLLXXZCQKMPX-UHFFFAOYSA-N 2 1 307.438 1.470 20 10 DDCDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000178669436 407539380 /nfs/dbraw/zinc/53/93/80/407539380.db2.gz LMVBASCMBBYMHH-HNNXBMFYSA-N 2 1 318.465 1.567 20 10 DDCDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000361901373 418723777 /nfs/dbraw/zinc/72/37/77/418723777.db2.gz UUCIIFGPANYLTF-KRWDZBQOSA-N 2 1 303.450 1.993 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CO)C3)cc2)CC1 ZINC000775634676 698017168 /nfs/dbraw/zinc/01/71/68/698017168.db2.gz TXWYILAKKPUPJY-QGZVFWFLSA-N 2 1 303.450 1.643 20 10 DDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CO)O1 ZINC000787416888 699211041 /nfs/dbraw/zinc/21/10/41/699211041.db2.gz KLJYFOIDSDYKJP-MAUKXSAKSA-N 2 1 319.449 1.020 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CO)O1 ZINC000787416888 699211042 /nfs/dbraw/zinc/21/10/42/699211042.db2.gz KLJYFOIDSDYKJP-MAUKXSAKSA-N 2 1 319.449 1.020 20 10 DDCDMP COc1cc(N2CC[NH+](CCC[NH3+])CC2)cc(OC)c1OC ZINC000841021216 702313120 /nfs/dbraw/zinc/31/31/20/702313120.db2.gz DUJXQRGRSQHSMK-UHFFFAOYSA-N 2 1 309.410 1.183 20 10 DDCDMP CN1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841083355 702339636 /nfs/dbraw/zinc/33/96/36/702339636.db2.gz BRQAFWTWZNMCOI-SJORKVTESA-N 2 1 302.466 1.655 20 10 DDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843044619 702807284 /nfs/dbraw/zinc/80/72/84/702807284.db2.gz LZZLXYAEZLUXTD-GOSISDBHSA-N 3 1 316.493 1.870 20 10 DDCDMP C[NH2+]C[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843044619 702807287 /nfs/dbraw/zinc/80/72/87/702807287.db2.gz LZZLXYAEZLUXTD-GOSISDBHSA-N 2 1 316.493 1.870 20 10 DDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843044950 702807325 /nfs/dbraw/zinc/80/73/25/702807325.db2.gz NJSDBLNEBOSZJR-QGZVFWFLSA-N 2 1 303.450 1.955 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000846145114 703242144 /nfs/dbraw/zinc/24/21/44/703242144.db2.gz LQYFFDIDNAAGCT-BFHYXJOUSA-N 2 1 306.406 1.915 20 10 DDCDMP COc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000846145114 703242147 /nfs/dbraw/zinc/24/21/47/703242147.db2.gz LQYFFDIDNAAGCT-BFHYXJOUSA-N 2 1 306.406 1.915 20 10 DDCDMP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc2c1OCC2 ZINC000848525250 703561003 /nfs/dbraw/zinc/56/10/03/703561003.db2.gz MUUSTKHDCFTJDR-KRWDZBQOSA-N 2 1 302.418 1.964 20 10 DDCDMP Cc1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872254668 707350533 /nfs/dbraw/zinc/35/05/33/707350533.db2.gz BEJIKURPQSPFIX-ZNMIVQPWSA-N 2 1 317.389 1.068 20 10 DDCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cn(C)nn1 ZINC000903086963 711028316 /nfs/dbraw/zinc/02/83/16/711028316.db2.gz CUQRXRGVWWTULE-AWEZNQCLSA-N 2 1 314.437 1.418 20 10 DDCDMP Oc1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980000 711356780 /nfs/dbraw/zinc/35/67/80/711356780.db2.gz BPRQTPFMQACNAG-CALCHBBNSA-N 2 1 319.424 1.932 20 10 DDCDMP Oc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980000 711356783 /nfs/dbraw/zinc/35/67/83/711356783.db2.gz BPRQTPFMQACNAG-CALCHBBNSA-N 2 1 319.424 1.932 20 10 DDCDMP Oc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980000 711356789 /nfs/dbraw/zinc/35/67/89/711356789.db2.gz BPRQTPFMQACNAG-CALCHBBNSA-N 2 1 319.424 1.932 20 10 DDCDMP CON(C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001119289304 781394222 /nfs/dbraw/zinc/39/42/22/781394222.db2.gz OEHBEPXDSMFNLM-UHFFFAOYSA-N 2 1 310.417 1.160 20 10 DDCDMP C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]12 ZINC001139412772 860392273 /nfs/dbraw/zinc/39/22/73/860392273.db2.gz NKIPCGXQLNBLKW-ATZDWAIDSA-N 2 1 315.461 1.905 20 10 DDCDMP CCC[N@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319682742 866213505 /nfs/dbraw/zinc/21/35/05/866213505.db2.gz WHGNRQBKTHDAGO-UHFFFAOYSA-N 2 1 309.429 1.782 20 10 DDCDMP CCC[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319682742 866213516 /nfs/dbraw/zinc/21/35/16/866213516.db2.gz WHGNRQBKTHDAGO-UHFFFAOYSA-N 2 1 309.429 1.782 20 10 DDCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC1(F)F ZINC001205768820 871795556 /nfs/dbraw/zinc/79/55/56/871795556.db2.gz GWUDRADBVDAMTI-OAHLLOKOSA-N 3 1 324.419 1.512 20 10 DDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC1(F)F ZINC001205768820 871795571 /nfs/dbraw/zinc/79/55/71/871795571.db2.gz GWUDRADBVDAMTI-OAHLLOKOSA-N 3 1 324.419 1.512 20 10 DDCDMP C[NH+]1CCN(c2ccc(CNCC34CC(C3)C[NH2+]4)cc2F)CC1 ZINC001350455100 875699188 /nfs/dbraw/zinc/69/91/88/875699188.db2.gz OBYQEAZREJHUHX-UHFFFAOYSA-N 2 1 318.440 1.419 20 10 DDCDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC)c(O)cc3O)C[C@H]2C1 ZINC001231638457 885774420 /nfs/dbraw/zinc/77/44/20/885774420.db2.gz BUFOCFMUMJHMKG-ZIAGYGMSSA-N 2 1 306.406 1.880 20 10 DDCDMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CC[NH2+]CC1 ZINC001235760748 888935041 /nfs/dbraw/zinc/93/50/41/888935041.db2.gz JZIKLIPMWWJVMU-UHFFFAOYSA-N 3 1 302.466 1.670 20 10 DDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(OC)c1 ZINC001237401518 889618265 /nfs/dbraw/zinc/61/82/65/889618265.db2.gz DGGUDIVDWHGTFI-WFASDCNBSA-N 2 1 306.406 1.983 20 10 DDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(OC)c1 ZINC001237401518 889618270 /nfs/dbraw/zinc/61/82/70/889618270.db2.gz DGGUDIVDWHGTFI-WFASDCNBSA-N 2 1 306.406 1.983 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@@H](F)[C@H]([NH3+])C3)cc2F)CC1 ZINC001261650882 899684060 /nfs/dbraw/zinc/68/40/60/899684060.db2.gz XMAKLROYLGCYLO-GDBMZVCRSA-N 2 1 324.419 1.449 20 10 DDCDMP COc1ccc(O)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000179598971 407811954 /nfs/dbraw/zinc/81/19/54/407811954.db2.gz ZIZUKCPGTYDALG-UHFFFAOYSA-N 2 1 319.449 1.614 20 10 DDCDMP CCOc1ccc(O)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282419155 409050951 /nfs/dbraw/zinc/05/09/51/409050951.db2.gz QRMWDHMXXIHPKY-UHFFFAOYSA-N 2 1 321.465 1.907 20 10 DDCDMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280018508 409255268 /nfs/dbraw/zinc/25/52/68/409255268.db2.gz HFBKCAUGZJGFOU-MRXNPFEDSA-N 2 1 319.449 1.905 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1CO ZINC000785984611 699115183 /nfs/dbraw/zinc/11/51/83/699115183.db2.gz OPWTUBLIMGMCFV-QAPCUYQASA-N 2 1 303.450 1.641 20 10 DDCDMP COc1c(O)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841035042 702317242 /nfs/dbraw/zinc/31/72/42/702317242.db2.gz YQEVAIWNUFMOTO-MNOVXSKESA-N 2 1 309.366 1.787 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000843113292 702821575 /nfs/dbraw/zinc/82/15/75/702821575.db2.gz RGQMQUQYEPMBTO-QGZVFWFLSA-N 3 1 316.493 1.999 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000843113292 702821578 /nfs/dbraw/zinc/82/15/78/702821578.db2.gz RGQMQUQYEPMBTO-QGZVFWFLSA-N 2 1 316.493 1.999 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000843113292 702821581 /nfs/dbraw/zinc/82/15/81/702821581.db2.gz RGQMQUQYEPMBTO-QGZVFWFLSA-N 2 1 316.493 1.999 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120220 702823308 /nfs/dbraw/zinc/82/33/08/702823308.db2.gz ABUVEVNMGUZTRW-GOSISDBHSA-N 2 1 301.434 1.709 20 10 DDCDMP CN1CC(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000827124995 705934996 /nfs/dbraw/zinc/93/49/96/705934996.db2.gz GOKIQNGWCOZPFJ-UHFFFAOYSA-N 2 1 302.466 1.432 20 10 DDCDMP COc1ccc(O)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000894378451 711095491 /nfs/dbraw/zinc/09/54/91/711095491.db2.gz RDWSXHFKIUODQG-UHFFFAOYSA-N 2 1 307.438 1.518 20 10 DDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923483378 714370734 /nfs/dbraw/zinc/37/07/34/714370734.db2.gz ZYMINIUIWPHVMK-INIZCTEOSA-N 2 1 318.465 1.382 20 10 DDCDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925501909 714874848 /nfs/dbraw/zinc/87/48/48/714874848.db2.gz JTJPDWHZYLIXOX-WAARBJQMSA-N 2 1 313.445 1.609 20 10 DDCDMP C[C@H](O)CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116444332 780510048 /nfs/dbraw/zinc/51/00/48/780510048.db2.gz ZCDQRYZZKILBTF-AWEZNQCLSA-N 2 1 309.429 1.780 20 10 DDCDMP C[C@H](O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116444332 780510051 /nfs/dbraw/zinc/51/00/51/780510051.db2.gz ZCDQRYZZKILBTF-AWEZNQCLSA-N 2 1 309.429 1.780 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC(O)C1 ZINC001116583827 780526962 /nfs/dbraw/zinc/52/69/62/780526962.db2.gz UDNUMKYEQRUAPD-UHFFFAOYSA-N 2 1 307.413 1.533 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC(O)C1 ZINC001116583827 780526967 /nfs/dbraw/zinc/52/69/67/780526967.db2.gz UDNUMKYEQRUAPD-UHFFFAOYSA-N 2 1 307.413 1.533 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](O)CC3)cc2F)CC1 ZINC001118059349 781011496 /nfs/dbraw/zinc/01/14/96/781011496.db2.gz UGTWOOWVLMNLDT-WKILWMFISA-N 2 1 321.440 1.971 20 10 DDCDMP COc1cc(C[N@@H+]2CCOC[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139254351 860337392 /nfs/dbraw/zinc/33/73/92/860337392.db2.gz HYBVASRNMVHBCM-KRWDZBQOSA-N 2 1 324.421 1.046 20 10 DDCDMP COc1cc(C[N@H+]2CCOC[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139254351 860337399 /nfs/dbraw/zinc/33/73/99/860337399.db2.gz HYBVASRNMVHBCM-KRWDZBQOSA-N 2 1 324.421 1.046 20 10 DDCDMP CN1CCN(c2ccc(C[N@@H+](C)CCCCO)cc2F)CC1 ZINC001326197103 861181940 /nfs/dbraw/zinc/18/19/40/861181940.db2.gz CISIZTQHVJHYQB-UHFFFAOYSA-N 2 1 309.429 1.782 20 10 DDCDMP C[N@H+](CCCCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326197103 861181951 /nfs/dbraw/zinc/18/19/51/861181951.db2.gz CISIZTQHVJHYQB-UHFFFAOYSA-N 2 1 309.429 1.782 20 10 DDCDMP C[N@@H+](CCCCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326197103 861181964 /nfs/dbraw/zinc/18/19/64/861181964.db2.gz CISIZTQHVJHYQB-UHFFFAOYSA-N 2 1 309.429 1.782 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[C@@H](O)C3)cc2F)CC1 ZINC001328699581 863155521 /nfs/dbraw/zinc/15/55/21/863155521.db2.gz IALCHTIVIMYFCP-GASCZTMLSA-N 2 1 307.413 1.438 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)(O)C3)cc2F)CC1 ZINC001321863843 867838983 /nfs/dbraw/zinc/83/89/83/867838983.db2.gz YHLLBDDPMQMWJN-KRWDZBQOSA-N 2 1 307.413 1.534 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)C3)cc2F)CC1 ZINC001321863843 867838997 /nfs/dbraw/zinc/83/89/97/867838997.db2.gz YHLLBDDPMQMWJN-KRWDZBQOSA-N 2 1 307.413 1.534 20 10 DDCDMP CN1CCN(c2ccc(C[N@H+]3CC[C@H](CC[NH3+])C3)cc2F)CC1 ZINC001336119377 868742431 /nfs/dbraw/zinc/74/24/31/868742431.db2.gz RFYFGODEWWSFAO-HNNXBMFYSA-N 2 1 320.456 1.748 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cc2F)CC1 ZINC001336119377 868742436 /nfs/dbraw/zinc/74/24/36/868742436.db2.gz RFYFGODEWWSFAO-HNNXBMFYSA-N 3 1 320.456 1.748 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CC[NH3+])C3)cc2F)CC1 ZINC001336119377 868742440 /nfs/dbraw/zinc/74/24/40/868742440.db2.gz RFYFGODEWWSFAO-HNNXBMFYSA-N 3 1 320.456 1.748 20 10 DDCDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205240662 871453716 /nfs/dbraw/zinc/45/37/16/871453716.db2.gz MNFASOZKNNKIEW-KRWDZBQOSA-N 2 1 307.438 1.437 20 10 DDCDMP Cc1cc(Br)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206481660 872367864 /nfs/dbraw/zinc/36/78/64/872367864.db2.gz XDOQNFWBWUWBTE-CMPLNLGQSA-N 2 1 315.211 1.215 20 10 DDCDMP Cc1cc(Br)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206481660 872367881 /nfs/dbraw/zinc/36/78/81/872367881.db2.gz XDOQNFWBWUWBTE-CMPLNLGQSA-N 2 1 315.211 1.215 20 10 DDCDMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235960781 889031700 /nfs/dbraw/zinc/03/17/00/889031700.db2.gz ZLPXXNDPOJCEPE-ALXJQNPVSA-N 3 1 300.450 1.265 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)cc1Cl ZINC001236077889 889099388 /nfs/dbraw/zinc/09/93/88/889099388.db2.gz LSDICUXYTBUTEE-CQSZACIVSA-N 2 1 309.841 1.961 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000841101153 702347106 /nfs/dbraw/zinc/34/71/06/702347106.db2.gz PPQRAWSXZKLOKT-NVXWUHKLSA-N 2 1 303.450 1.940 20 10 DDCDMP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000817941843 702531239 /nfs/dbraw/zinc/53/12/39/702531239.db2.gz LCJLEPMBNONYNW-RYQLBKOJSA-N 2 1 302.466 1.969 20 10 DDCDMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843047851 702807893 /nfs/dbraw/zinc/80/78/93/702807893.db2.gz YSYPHVGOSSUGFK-OAHLLOKOSA-N 2 1 307.413 1.833 20 10 DDCDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843047851 702807896 /nfs/dbraw/zinc/80/78/96/702807896.db2.gz YSYPHVGOSSUGFK-OAHLLOKOSA-N 2 1 307.413 1.833 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843047067 702808048 /nfs/dbraw/zinc/80/80/48/702808048.db2.gz MXIVUDOQAPJPQK-HNNXBMFYSA-N 2 1 317.433 1.344 20 10 DDCDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162645 702980396 /nfs/dbraw/zinc/98/03/96/702980396.db2.gz KLIISUKZRFLBOJ-IRXDYDNUSA-N 2 1 318.465 1.743 20 10 DDCDMP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876685335 705819328 /nfs/dbraw/zinc/81/93/28/705819328.db2.gz PBXBPRMAAZBSBC-UHFFFAOYSA-N 2 1 319.449 1.687 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@]4(C)C3)cc2)CC1 ZINC000827280056 705967624 /nfs/dbraw/zinc/96/76/24/705967624.db2.gz CZLLBUMIYOTQFT-MJGOQNOKSA-N 2 1 315.461 1.907 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)CC1 ZINC000883290726 707966622 /nfs/dbraw/zinc/96/66/22/707966622.db2.gz DXTPDCQGTHPKNM-KRWDZBQOSA-N 2 1 311.433 1.870 20 10 DDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1CC[NH3+] ZINC000903977035 711354830 /nfs/dbraw/zinc/35/48/30/711354830.db2.gz HJJROZKUBCBCIB-NVXWUHKLSA-N 2 1 303.450 1.940 20 10 DDCDMP COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(O)c1 ZINC001275275864 852945040 /nfs/dbraw/zinc/94/50/40/852945040.db2.gz RKBKYEMGWARRBI-IYBDPMFKSA-N 2 1 319.449 1.611 20 10 DDCDMP COc1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139253027 860336884 /nfs/dbraw/zinc/33/68/84/860336884.db2.gz IZUIBGPJYYTSGE-ZDUSSCGKSA-N 2 1 321.421 1.160 20 10 DDCDMP COc1cc(C[N@H+]2CCC3(COC3)C2)cc(C[NH+](C)C)c1O ZINC001139255069 860339302 /nfs/dbraw/zinc/33/93/02/860339302.db2.gz LYSONMMUPCQNQK-UHFFFAOYSA-N 2 1 306.406 1.685 20 10 DDCDMP CC[NH+]1C[C@@H]2C[NH+](Cc3c(O)cc(OC)cc3OC)C[C@H]2C1 ZINC001141032717 860768575 /nfs/dbraw/zinc/76/85/75/860768575.db2.gz NIWPWOAQEBCITJ-CHWSQXEVSA-N 2 1 306.406 1.793 20 10 DDCDMP C[C@H]1[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCN1C ZINC001332351008 865781853 /nfs/dbraw/zinc/78/18/53/865781853.db2.gz BBTONAALCIMKAX-WMLDXEAASA-N 2 1 320.456 1.760 20 10 DDCDMP C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324677362 867445203 /nfs/dbraw/zinc/44/52/03/867445203.db2.gz UIYUBFMRZHENDW-CXAGYDPISA-N 2 1 307.413 1.533 20 10 DDCDMP C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324677362 867445212 /nfs/dbraw/zinc/44/52/12/867445212.db2.gz UIYUBFMRZHENDW-CXAGYDPISA-N 2 1 307.413 1.533 20 10 DDCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1CO ZINC001321703273 867746563 /nfs/dbraw/zinc/74/65/63/867746563.db2.gz WNDLSIHPXLWZQG-RDTXWAMCSA-N 2 1 321.440 1.780 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1CO ZINC001321703273 867746566 /nfs/dbraw/zinc/74/65/66/867746566.db2.gz WNDLSIHPXLWZQG-RDTXWAMCSA-N 2 1 321.440 1.780 20 10 DDCDMP CN1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001318368041 871963201 /nfs/dbraw/zinc/96/32/01/871963201.db2.gz PNRMRDFOIWCIPR-MRXNPFEDSA-N 2 1 320.456 1.761 20 10 DDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@@H]1F ZINC001206185665 872119633 /nfs/dbraw/zinc/11/96/33/872119633.db2.gz OQTMRPCGMLNSSW-JKSUJKDBSA-N 2 1 322.428 1.063 20 10 DDCDMP N[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@@H]1F ZINC001206185665 872119636 /nfs/dbraw/zinc/11/96/36/872119636.db2.gz OQTMRPCGMLNSSW-JKSUJKDBSA-N 2 1 322.428 1.063 20 10 DDCDMP N[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@@H]1F ZINC001206185665 872119639 /nfs/dbraw/zinc/11/96/39/872119639.db2.gz OQTMRPCGMLNSSW-JKSUJKDBSA-N 2 1 322.428 1.063 20 10 DDCDMP COc1cc(N(C)C)ccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099664 880249860 /nfs/dbraw/zinc/24/98/60/880249860.db2.gz IZWOTJZYXLPTIF-UHFFFAOYSA-N 2 1 318.465 1.289 20 10 DDCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235717568 888911402 /nfs/dbraw/zinc/91/14/02/888911402.db2.gz KMBZFQRPUWMERA-UHFFFAOYSA-N 3 1 319.449 1.696 20 10 DDCDMP CCOC(=O)[C@]12C[N@@H+](Cc3cc(C)ccc3O)C[C@H]1C[NH2+]CC2 ZINC001236039582 889075482 /nfs/dbraw/zinc/07/54/82/889075482.db2.gz VDWXFKZLDMITQJ-CRAIPNDOSA-N 2 1 318.417 1.675 20 10 DDCDMP CCN(CC)c1ccc(C[NH+]2CC(N3CC[NH2+]CC3)C2)cc1 ZINC001236160161 889120865 /nfs/dbraw/zinc/12/08/65/889120865.db2.gz JDBWIDUTKQUXDR-UHFFFAOYSA-N 2 1 302.466 1.622 20 10 DDCDMP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236409077 889225576 /nfs/dbraw/zinc/22/55/76/889225576.db2.gz RLQCJQNGXXGASQ-KRWDZBQOSA-N 3 1 302.466 1.528 20 10 DDCDMP Cc1ccc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000093821324 407201882 /nfs/dbraw/zinc/20/18/82/407201882.db2.gz OMRFXKJPBMQXHU-INIZCTEOSA-N 2 1 317.433 1.439 20 10 DDCDMP Cc1ccc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000093821324 407201886 /nfs/dbraw/zinc/20/18/86/407201886.db2.gz OMRFXKJPBMQXHU-INIZCTEOSA-N 2 1 317.433 1.439 20 10 DDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCOC1 ZINC000775734161 698027036 /nfs/dbraw/zinc/02/70/36/698027036.db2.gz LYLKNOUZFRLFGA-QGZVFWFLSA-N 2 1 303.450 1.907 20 10 DDCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1C ZINC000841099025 702345620 /nfs/dbraw/zinc/34/56/20/702345620.db2.gz BKSVBBHAVRSOCY-INIZCTEOSA-N 2 1 315.421 1.896 20 10 DDCDMP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](O)CO ZINC000817417633 702375791 /nfs/dbraw/zinc/37/57/91/702375791.db2.gz MCLXBTBKEMXQMF-GOSISDBHSA-N 2 1 321.465 1.002 20 10 DDCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000843059234 702809894 /nfs/dbraw/zinc/80/98/94/702809894.db2.gz HKLOWQSFAKCMHN-FPMFFAJLSA-N 2 1 306.406 1.969 20 10 DDCDMP CN(C)c1ccc(CNC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000844221352 702995817 /nfs/dbraw/zinc/99/58/17/702995817.db2.gz WXVWBHDNJBBRHT-UHFFFAOYSA-N 2 1 318.465 1.571 20 10 DDCDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC000848908570 703602151 /nfs/dbraw/zinc/60/21/51/703602151.db2.gz XMGOJUUTUVMLLU-OAHLLOKOSA-N 2 1 306.406 1.744 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000857877221 704636227 /nfs/dbraw/zinc/63/62/27/704636227.db2.gz WYXJOMUWOZDEBZ-UHFFFAOYSA-N 2 1 311.433 1.720 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000857877221 704636228 /nfs/dbraw/zinc/63/62/28/704636228.db2.gz WYXJOMUWOZDEBZ-UHFFFAOYSA-N 2 1 311.433 1.720 20 10 DDCDMP CN(C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000931277805 714055009 /nfs/dbraw/zinc/05/50/09/714055009.db2.gz SPXGFOHKWKYSRM-PIIMJCKOSA-N 2 1 301.434 1.515 20 10 DDCDMP CN(C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000931277805 714055011 /nfs/dbraw/zinc/05/50/11/714055011.db2.gz SPXGFOHKWKYSRM-PIIMJCKOSA-N 2 1 301.434 1.515 20 10 DDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923388716 714338013 /nfs/dbraw/zinc/33/80/13/714338013.db2.gz UARCPWRGYLCZLE-QGZVFWFLSA-N 2 1 319.449 1.442 20 10 DDCDMP NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000925776732 714933491 /nfs/dbraw/zinc/93/34/91/714933491.db2.gz IGLGICAPCRUUAA-IRXDYDNUSA-N 2 1 316.449 1.358 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)cc2F)CC1 ZINC001117953133 780961384 /nfs/dbraw/zinc/96/13/84/780961384.db2.gz AMAAGJAFBKLLDS-QAPCUYQASA-N 2 1 318.440 1.371 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC([NH3+])CC3)cc2F)CC1 ZINC001326518139 861422125 /nfs/dbraw/zinc/42/21/25/861422125.db2.gz IVXHWKYDCGGQBC-UHFFFAOYSA-N 3 1 320.456 1.937 20 10 DDCDMP COc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001275271058 852944392 /nfs/dbraw/zinc/94/43/92/852944392.db2.gz ORONXJKUMNLFFM-IYBDPMFKSA-N 2 1 319.449 1.611 20 10 DDCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c1 ZINC001275315701 852974606 /nfs/dbraw/zinc/97/46/06/852974606.db2.gz TZRMYZIJCXIOQS-AEFFLSMTSA-N 2 1 319.449 1.147 20 10 DDCDMP COc1cc(C[N@H+]2CC[C@H](F)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253204 860336053 /nfs/dbraw/zinc/33/60/53/860336053.db2.gz PWBZSHZHJNOCCO-UONOGXRCSA-N 2 1 312.385 1.367 20 10 DDCDMP COc1cc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253204 860336047 /nfs/dbraw/zinc/33/60/47/860336047.db2.gz PWBZSHZHJNOCCO-UONOGXRCSA-N 2 1 312.385 1.367 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](F)[C@@H](O)C3)cc2)CC1 ZINC001139404624 860388818 /nfs/dbraw/zinc/38/88/18/860388818.db2.gz RAXBRJAXMOAJDW-IRXDYDNUSA-N 2 1 307.413 1.343 20 10 DDCDMP C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321293496 867466513 /nfs/dbraw/zinc/46/65/13/867466513.db2.gz KTWWNHCLDRSCML-QDLOVBKTSA-N 2 1 321.440 1.994 20 10 DDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205219447 871435624 /nfs/dbraw/zinc/43/56/24/871435624.db2.gz DGCZPWKFUVKPSP-GOSISDBHSA-N 2 1 319.449 1.199 20 10 DDCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235061688 888386051 /nfs/dbraw/zinc/38/60/51/888386051.db2.gz NAQUQCYSTXVNHS-SFHVURJKSA-N 2 1 303.450 1.827 20 10 DDCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235061688 888386065 /nfs/dbraw/zinc/38/60/65/888386065.db2.gz NAQUQCYSTXVNHS-SFHVURJKSA-N 2 1 303.450 1.827 20 10 DDCDMP COc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000282349613 409038937 /nfs/dbraw/zinc/03/89/37/409038937.db2.gz MSMTYJDAGHALQV-UHFFFAOYSA-N 2 1 307.438 1.516 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000775746068 698029030 /nfs/dbraw/zinc/02/90/30/698029030.db2.gz AIDVUADOEJIKFP-CALCHBBNSA-N 3 1 300.450 1.090 20 10 DDCDMP C[NH+]1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000775746068 698029033 /nfs/dbraw/zinc/02/90/33/698029033.db2.gz AIDVUADOEJIKFP-CALCHBBNSA-N 2 1 300.450 1.090 20 10 DDCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1O ZINC000775745540 698029043 /nfs/dbraw/zinc/02/90/43/698029043.db2.gz XMFYJNZRQXIMES-AEFFLSMTSA-N 2 1 303.450 1.641 20 10 DDCDMP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1)[C@@H]1CCC[NH2+]1 ZINC000321883928 698730957 /nfs/dbraw/zinc/73/09/57/698730957.db2.gz KBSOIPVTDRFAQE-ZBFHGGJFSA-N 2 1 317.433 1.472 20 10 DDCDMP COCCC[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783727801 698871067 /nfs/dbraw/zinc/87/10/67/698871067.db2.gz FDFVGHVHNLXBSC-UHFFFAOYSA-N 2 1 321.465 1.269 20 10 DDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1(CO)CC1 ZINC000783734228 698871307 /nfs/dbraw/zinc/87/13/07/698871307.db2.gz RFOZQMFUGCAZHL-UHFFFAOYSA-N 2 1 303.450 1.643 20 10 DDCDMP COc1cccc(O)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000769381352 701242896 /nfs/dbraw/zinc/24/28/96/701242896.db2.gz NNWCVEQYKYWVCV-OAHLLOKOSA-N 2 1 319.449 1.613 20 10 DDCDMP COc1cccc(O)c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000769381352 701242897 /nfs/dbraw/zinc/24/28/97/701242897.db2.gz NNWCVEQYKYWVCV-OAHLLOKOSA-N 2 1 319.449 1.613 20 10 DDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841099006 702345865 /nfs/dbraw/zinc/34/58/65/702345865.db2.gz AXPMQXJMPACLFX-QGZVFWFLSA-N 2 1 314.437 1.640 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843051481 702808699 /nfs/dbraw/zinc/80/86/99/702808699.db2.gz JHHBIXLPHYYYQY-FUHWJXTLSA-N 3 1 316.493 1.998 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843051481 702808702 /nfs/dbraw/zinc/80/87/02/702808702.db2.gz JHHBIXLPHYYYQY-FUHWJXTLSA-N 2 1 316.493 1.998 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843051481 702808705 /nfs/dbraw/zinc/80/87/05/702808705.db2.gz JHHBIXLPHYYYQY-FUHWJXTLSA-N 2 1 316.493 1.998 20 10 DDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1[NH3+] ZINC000843053164 702809109 /nfs/dbraw/zinc/80/91/09/702809109.db2.gz YVZVBSLYCJMGKO-MAUKXSAKSA-N 3 1 302.466 1.608 20 10 DDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CCOCC2 ZINC000843124805 702824708 /nfs/dbraw/zinc/82/47/08/702824708.db2.gz HAQUDPPQELJGML-CYBMUJFWSA-N 2 1 320.389 1.308 20 10 DDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000876506253 705738189 /nfs/dbraw/zinc/73/81/89/705738189.db2.gz HRYAMVFOBPQGDA-CJNGLKHVSA-N 2 1 304.438 1.210 20 10 DDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[C@H]1O ZINC000827152386 705940856 /nfs/dbraw/zinc/94/08/56/705940856.db2.gz SXZWSGTXUZXKJK-MNZLEMJZSA-N 2 1 317.477 1.887 20 10 DDCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001205663317 746374236 /nfs/dbraw/zinc/37/42/36/746374236.db2.gz HIRGENYXYSOQKI-SFHVURJKSA-N 2 1 303.450 1.963 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)CC3CC3)cc2F)CC1 ZINC001116819542 780564267 /nfs/dbraw/zinc/56/42/67/780564267.db2.gz HFTXODPHEMQSPL-INIZCTEOSA-N 2 1 321.440 1.828 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)c(O)c1 ZINC001275821305 853817677 /nfs/dbraw/zinc/81/76/77/853817677.db2.gz NQCHUYABIPHABS-GASCZTMLSA-N 2 1 305.422 1.308 20 10 DDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001275821305 853817683 /nfs/dbraw/zinc/81/76/83/853817683.db2.gz NQCHUYABIPHABS-GASCZTMLSA-N 2 1 305.422 1.308 20 10 DDCDMP Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c1O ZINC001276080141 854713390 /nfs/dbraw/zinc/71/33/90/854713390.db2.gz JHPVSQFVRJLUQZ-SJORKVTESA-N 2 1 319.449 1.147 20 10 DDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205627427 871666494 /nfs/dbraw/zinc/66/64/94/871666494.db2.gz PNAILUYDZJFGGE-SJLPKXTDSA-N 3 1 316.493 1.903 20 10 DDCDMP C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216660 889146800 /nfs/dbraw/zinc/14/68/00/889146800.db2.gz LEVLMRVZHOYHMR-CABCVRRESA-N 3 1 305.422 1.576 20 10 DDCDMP C[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216660 889146808 /nfs/dbraw/zinc/14/68/08/889146808.db2.gz LEVLMRVZHOYHMR-CABCVRRESA-N 3 1 305.422 1.576 20 10 DDCDMP Cc1cccc(O)c1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001237488503 889664910 /nfs/dbraw/zinc/66/49/10/889664910.db2.gz MKCVLOAAJSZKQW-DLBZAZTESA-N 2 1 303.450 1.911 20 10 DDCDMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001253405781 895827390 /nfs/dbraw/zinc/82/73/90/895827390.db2.gz OYRBYYOQGGUWJV-KRWDZBQOSA-N 2 1 321.465 1.362 20 10 DDCDMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775987104 698058115 /nfs/dbraw/zinc/05/81/15/698058115.db2.gz UQWQKPDDFMHWLB-SJORKVTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000775987104 698058121 /nfs/dbraw/zinc/05/81/21/698058121.db2.gz UQWQKPDDFMHWLB-SJORKVTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]1[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000775987104 698058125 /nfs/dbraw/zinc/05/81/25/698058125.db2.gz UQWQKPDDFMHWLB-SJORKVTESA-N 2 1 316.493 1.963 20 10 DDCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762790192 700906901 /nfs/dbraw/zinc/90/69/01/700906901.db2.gz YDELKKINBKRVCX-FZKQIMNGSA-N 2 1 304.434 1.988 20 10 DDCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762790192 700906902 /nfs/dbraw/zinc/90/69/02/700906902.db2.gz YDELKKINBKRVCX-FZKQIMNGSA-N 2 1 304.434 1.988 20 10 DDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843121476 702823811 /nfs/dbraw/zinc/82/38/11/702823811.db2.gz HSXNDQQRFCHWKU-GOSISDBHSA-N 2 1 302.466 1.541 20 10 DDCDMP CN1CCN(c2ccc(C[NH+]3CCC(CC[NH3+])CC3)cc2)CC1 ZINC000844912405 703083933 /nfs/dbraw/zinc/08/39/33/703083933.db2.gz UEOAGGJKPYDGAK-UHFFFAOYSA-N 2 1 316.493 1.999 20 10 DDCDMP COc1ccc(O)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848533125 703561570 /nfs/dbraw/zinc/56/15/70/703561570.db2.gz DXNXJCJUCYQYKQ-OAHLLOKOSA-N 2 1 306.406 1.744 20 10 DDCDMP Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(O)c1 ZINC000876715348 705835411 /nfs/dbraw/zinc/83/54/11/705835411.db2.gz MLLJMHRFVINELQ-KRWDZBQOSA-N 2 1 303.450 1.912 20 10 DDCDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000922388380 714036747 /nfs/dbraw/zinc/03/67/47/714036747.db2.gz PIVPDPDAKUQGMA-NRSFXHEJSA-N 2 1 304.434 1.962 20 10 DDCDMP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117956093 780962923 /nfs/dbraw/zinc/96/29/23/780962923.db2.gz MQVFJWFZVUSXOK-YOEHRIQHSA-N 2 1 320.456 1.808 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](F)[C@H](O)C3)cc2)CC1 ZINC001139404622 860388636 /nfs/dbraw/zinc/38/86/36/860388636.db2.gz RAXBRJAXMOAJDW-DLBZAZTESA-N 2 1 307.413 1.343 20 10 DDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](F)(CO)C3)cc2)CC1 ZINC001140302203 860614518 /nfs/dbraw/zinc/61/45/18/860614518.db2.gz MWNLTBJMDDFFBR-SFHVURJKSA-N 2 1 321.440 1.735 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](O)(C4CC4)C3)cc2)CC1 ZINC001320917435 867119108 /nfs/dbraw/zinc/11/91/08/867119108.db2.gz XDHABQPTTVYOCE-IBGZPJMESA-N 2 1 315.461 1.785 20 10 DDCDMP CN1CC(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001334016013 867237806 /nfs/dbraw/zinc/23/78/06/867237806.db2.gz KMDYDMAOUMPOMF-UHFFFAOYSA-N 2 1 320.456 1.571 20 10 DDCDMP CN1CC(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001334016013 867237824 /nfs/dbraw/zinc/23/78/24/867237824.db2.gz KMDYDMAOUMPOMF-UHFFFAOYSA-N 2 1 320.456 1.571 20 10 DDCDMP CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)ccc2O1 ZINC001205984721 871975771 /nfs/dbraw/zinc/97/57/71/871975771.db2.gz ULWLHDNYUQONPQ-ZIAGYGMSSA-N 2 1 304.390 1.470 20 10 DDCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)ccc2O1 ZINC001205984721 871975782 /nfs/dbraw/zinc/97/57/82/871975782.db2.gz ULWLHDNYUQONPQ-ZIAGYGMSSA-N 2 1 304.390 1.470 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](N)[C@@H](F)CC3)cc2)CC1 ZINC001206173999 872110964 /nfs/dbraw/zinc/11/09/64/872110964.db2.gz LCORGOOVXFOCLB-ROUUACIJSA-N 2 1 320.456 1.700 20 10 DDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)C[NH2+]CCO2 ZINC001235265211 888520410 /nfs/dbraw/zinc/52/04/10/888520410.db2.gz BUYVJYHSGOHPCX-WFASDCNBSA-N 3 1 303.406 1.058 20 10 DDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)C[NH2+]CCO2 ZINC001235265211 888520422 /nfs/dbraw/zinc/52/04/22/888520422.db2.gz BUYVJYHSGOHPCX-WFASDCNBSA-N 3 1 303.406 1.058 20 10 DDCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235716402 888909800 /nfs/dbraw/zinc/90/98/00/888909800.db2.gz AGCKLYMSLGZQSW-UHFFFAOYSA-N 3 1 316.493 1.918 20 10 DDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)C3)c(F)c2)CC1 ZINC001236936569 889432505 /nfs/dbraw/zinc/43/25/05/889432505.db2.gz SWROMFCXEPDYFR-QGZVFWFLSA-N 2 1 307.413 1.534 20 10 DDCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001237083896 889497391 /nfs/dbraw/zinc/49/73/91/889497391.db2.gz ZXCCWKLQOKEGIP-KRWDZBQOSA-N 3 1 305.422 1.435 20 10 DDCDMP C[C@@]1(C[NH3+])CCCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001237083896 889497401 /nfs/dbraw/zinc/49/74/01/889497401.db2.gz ZXCCWKLQOKEGIP-KRWDZBQOSA-N 2 1 305.422 1.435 20 10 DDCDMP c1cc(N2CC[NH2+]CC2)ccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246174341 892462404 /nfs/dbraw/zinc/46/24/04/892462404.db2.gz OWYYIPBRLRRRDZ-SJPCQFCGSA-N 2 1 300.450 1.469 20 10 DDCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000756549479 700627238 /nfs/dbraw/zinc/62/72/38/700627238.db2.gz NRPIENMNNWFPPB-GJZGRUSLSA-N 2 1 319.449 1.939 20 10 DDCDMP CCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(O)c1 ZINC000809743234 701685018 /nfs/dbraw/zinc/68/50/18/701685018.db2.gz NTAQAHATSKJYSA-UHFFFAOYSA-N 2 1 321.465 1.860 20 10 DDCDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466193 701180291 /nfs/dbraw/zinc/18/02/91/701180291.db2.gz NSRHXQXRHZIUJD-SUMWQHHRSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466193 701180294 /nfs/dbraw/zinc/18/02/94/701180294.db2.gz NSRHXQXRHZIUJD-SUMWQHHRSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466193 701180296 /nfs/dbraw/zinc/18/02/96/701180296.db2.gz NSRHXQXRHZIUJD-SUMWQHHRSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466193 701180297 /nfs/dbraw/zinc/18/02/97/701180297.db2.gz NSRHXQXRHZIUJD-SUMWQHHRSA-N 2 1 320.433 1.982 20 10 DDCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466193 701180299 /nfs/dbraw/zinc/18/02/99/701180299.db2.gz NSRHXQXRHZIUJD-SUMWQHHRSA-N 2 1 320.433 1.982 20 10 DDCDMP CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841003562 702306459 /nfs/dbraw/zinc/30/64/59/702306459.db2.gz ZVRUBCNHULYUDX-MRXNPFEDSA-N 2 1 318.465 1.382 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843057090 702809595 /nfs/dbraw/zinc/80/95/95/702809595.db2.gz GGJWSROTKLISLC-DOTOQJQBSA-N 3 1 302.466 1.608 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843057090 702809598 /nfs/dbraw/zinc/80/95/98/702809598.db2.gz GGJWSROTKLISLC-DOTOQJQBSA-N 2 1 302.466 1.608 20 10 DDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843057090 702809601 /nfs/dbraw/zinc/80/96/01/702809601.db2.gz GGJWSROTKLISLC-DOTOQJQBSA-N 2 1 302.466 1.608 20 10 DDCDMP Oc1cc2c(cc1C[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)OCO2 ZINC000850397253 703729592 /nfs/dbraw/zinc/72/95/92/703729592.db2.gz UVOXTQIVUCOQQL-CQSZACIVSA-N 2 1 320.389 1.464 20 10 DDCDMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851422 707392827 /nfs/dbraw/zinc/39/28/27/707392827.db2.gz JXNVEKRBGKWVID-KRWDZBQOSA-N 2 1 316.449 1.149 20 10 DDCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]21 ZINC000872722053 707570997 /nfs/dbraw/zinc/57/09/97/707570997.db2.gz BIQAVNIIPYXFQK-XFJVYGCCSA-N 2 1 304.390 1.344 20 10 DDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]21 ZINC000872722053 707571000 /nfs/dbraw/zinc/57/10/00/707571000.db2.gz BIQAVNIIPYXFQK-XFJVYGCCSA-N 2 1 304.390 1.344 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]21 ZINC000872722053 707571003 /nfs/dbraw/zinc/57/10/03/707571003.db2.gz BIQAVNIIPYXFQK-XFJVYGCCSA-N 2 1 304.390 1.344 20 10 DDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]21 ZINC000872722053 707571005 /nfs/dbraw/zinc/57/10/05/707571005.db2.gz BIQAVNIIPYXFQK-XFJVYGCCSA-N 2 1 304.390 1.344 20 10 DDCDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000922388381 714036949 /nfs/dbraw/zinc/03/69/49/714036949.db2.gz PIVPDPDAKUQGMA-VDHUWJSZSA-N 2 1 304.434 1.962 20 10 DDCDMP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1O ZINC000925857987 714952855 /nfs/dbraw/zinc/95/28/55/714952855.db2.gz RFFLFOWYLVTLPX-YPMHNXCESA-N 2 1 322.380 1.867 20 10 DDCDMP