smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000052208949 350966135 /nfs/dbraw/zinc/96/61/35/350966135.db2.gz NSTCMXWSANMLBV-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP CCCCCCCC[N@H+](C)C1CC[NH2+]CC1 ZINC000059367801 641167754 /nfs/dbraw/zinc/16/77/54/641167754.db2.gz MIFBGPZYBOMRHP-UHFFFAOYSA-N 2 0 226.408 3.031 20 30 BGEDRP CCCCCCCC[NH+]1CCC(C[NH3+])CC1 ZINC000060049102 711832506 /nfs/dbraw/zinc/83/25/06/711832506.db2.gz RCUVXNUXVQGYDW-UHFFFAOYSA-N 2 0 226.408 3.018 20 30 BGEDRP C=CCCC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000091589460 345600142 /nfs/dbraw/zinc/60/01/42/345600142.db2.gz ZIJGZRYBKJGTPL-GJZGRUSLSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000091589461 345600222 /nfs/dbraw/zinc/60/02/22/345600222.db2.gz ZIJGZRYBKJGTPL-LSDHHAIUSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCC[C@H](C)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000091622000 345601387 /nfs/dbraw/zinc/60/13/87/345601387.db2.gz ZQQWJNFJPXBDSJ-KBPBESRZSA-N 2 0 247.386 3.334 20 30 BGEDRP C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000091622001 345601242 /nfs/dbraw/zinc/60/12/42/345601242.db2.gz ZQQWJNFJPXBDSJ-KGLIPLIRSA-N 2 0 247.386 3.334 20 30 BGEDRP CCCCCCCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000100019245 582753311 /nfs/dbraw/zinc/75/33/11/582753311.db2.gz GTSHCYJZFMUJST-UHFFFAOYSA-N 2 0 240.435 3.278 20 30 BGEDRP CCCCCCCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000100019476 582753304 /nfs/dbraw/zinc/75/33/04/582753304.db2.gz FBMOAVNLNGXVGD-OAHLLOKOSA-N 2 0 240.435 3.278 20 30 BGEDRP CCCCCCCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000100019480 592575400 /nfs/dbraw/zinc/57/54/00/592575400.db2.gz FBMOAVNLNGXVGD-HNNXBMFYSA-N 2 0 240.435 3.278 20 30 BGEDRP CCCCCCCC[NH+]1CCC([NH2+]C)CC1 ZINC000102955319 582779014 /nfs/dbraw/zinc/77/90/14/582779014.db2.gz CXEISQAIADIGED-UHFFFAOYSA-N 2 0 226.408 3.031 20 30 BGEDRP CCCCCCC[N@H+](CCC)C1CC[NH2+]CC1 ZINC000103061238 582782775 /nfs/dbraw/zinc/78/27/75/582782775.db2.gz LBMPKUBJIYLBHM-UHFFFAOYSA-N 2 0 240.435 3.421 20 30 BGEDRP CCCCCCC[NH2+]C1CC[NH+](CC)CC1 ZINC000103317237 191065784 /nfs/dbraw/zinc/06/57/84/191065784.db2.gz FVGHTCFPMTYYFU-UHFFFAOYSA-N 2 0 226.408 3.031 20 30 BGEDRP CCCCCCCC[NH2+]C1CC[NH+](CC)CC1 ZINC000103317240 520036089 /nfs/dbraw/zinc/03/60/89/520036089.db2.gz HTFAKVSODWEJEK-UHFFFAOYSA-N 2 0 240.435 3.421 20 30 BGEDRP CCCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000104375449 582793322 /nfs/dbraw/zinc/79/33/22/582793322.db2.gz ZZBKFKUPUMGESZ-YIONKMFJSA-N 2 0 238.419 3.172 20 30 BGEDRP CCCCCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111611507 588764684 /nfs/dbraw/zinc/76/46/84/588764684.db2.gz GFFDAWQYPUFXFD-CYBMUJFWSA-N 2 0 226.408 3.016 20 30 BGEDRP CCCCCCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111611509 588764584 /nfs/dbraw/zinc/76/45/84/588764584.db2.gz GFFDAWQYPUFXFD-ZDUSSCGKSA-N 2 0 226.408 3.016 20 30 BGEDRP CCCCCCC[NH+]1CCC(C[NH2+]CC)CC1 ZINC000111725898 588769341 /nfs/dbraw/zinc/76/93/41/588769341.db2.gz JRIUDJWKBKFCCD-UHFFFAOYSA-N 2 0 240.435 3.278 20 30 BGEDRP CCCCCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000112038271 588779570 /nfs/dbraw/zinc/77/95/70/588779570.db2.gz AIYVNNPBCQZQIR-CQSZACIVSA-N 2 0 226.408 3.018 20 30 BGEDRP CCCCCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000112038273 588779519 /nfs/dbraw/zinc/77/95/19/588779519.db2.gz AIYVNNPBCQZQIR-AWEZNQCLSA-N 2 0 226.408 3.018 20 30 BGEDRP CCCCCCC[NH+]1CCC(CC[NH2+]C)CC1 ZINC000112209931 588785982 /nfs/dbraw/zinc/78/59/82/588785982.db2.gz RXAXKCOPMGTZQY-UHFFFAOYSA-N 2 0 240.435 3.278 20 30 BGEDRP CCCCCCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000118119451 589153083 /nfs/dbraw/zinc/15/30/83/589153083.db2.gz DMHFDPVDSNHBEP-UHFFFAOYSA-N 2 0 226.408 3.159 20 30 BGEDRP CCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122166391 589560463 /nfs/dbraw/zinc/56/04/63/589560463.db2.gz VGBVHXGSGSFTAW-KGLIPLIRSA-N 2 0 226.408 3.016 20 30 BGEDRP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000122166624 589560471 /nfs/dbraw/zinc/56/04/71/589560471.db2.gz VGBVHXGSGSFTAW-ZIAGYGMSSA-N 2 0 226.408 3.016 20 30 BGEDRP CCCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124199261 589960176 /nfs/dbraw/zinc/96/01/76/589960176.db2.gz MGXOWPIOIXAXEE-HUUCEWRRSA-N 2 0 240.435 3.419 20 30 BGEDRP CCCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124199478 589960096 /nfs/dbraw/zinc/96/00/96/589960096.db2.gz MGXOWPIOIXAXEE-CABCVRRESA-N 2 0 240.435 3.419 20 30 BGEDRP C=CCCCCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000124299046 358515853 /nfs/dbraw/zinc/51/58/53/358515853.db2.gz YDADUJACUDKFDB-OAHLLOKOSA-N 2 0 238.419 3.149 20 30 BGEDRP C=CCCCCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124299250 358515894 /nfs/dbraw/zinc/51/58/94/358515894.db2.gz YDADUJACUDKFDB-HNNXBMFYSA-N 2 0 238.419 3.149 20 30 BGEDRP C=CCCC[C@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000126335459 490490551 /nfs/dbraw/zinc/49/05/51/490490551.db2.gz USUDOALJMCQGSU-AWEZNQCLSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCCC[C@@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000126335685 490490515 /nfs/dbraw/zinc/49/05/15/490490515.db2.gz USUDOALJMCQGSU-CQSZACIVSA-N 2 0 238.419 3.195 20 30 BGEDRP CCCCCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000126797857 590446482 /nfs/dbraw/zinc/44/64/82/590446482.db2.gz GACQHMIJJZUJIF-UONOGXRCSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000126798124 590446572 /nfs/dbraw/zinc/44/65/72/590446572.db2.gz GACQHMIJJZUJIF-KBPBESRZSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000126798325 590446605 /nfs/dbraw/zinc/44/66/05/590446605.db2.gz GACQHMIJJZUJIF-ZIAGYGMSSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000126798587 590446337 /nfs/dbraw/zinc/44/63/37/590446337.db2.gz GACQHMIJJZUJIF-KGLIPLIRSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129069629 591228181 /nfs/dbraw/zinc/22/81/81/591228181.db2.gz ATFJQXQZQQYQCA-KBPBESRZSA-N 2 0 226.408 3.159 20 30 BGEDRP C=CCC[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000130522571 325062723 /nfs/dbraw/zinc/06/27/23/325062723.db2.gz NBFODJVZBMUZJL-LBPRGKRZSA-N 2 0 238.419 3.240 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000130522804 323174983 /nfs/dbraw/zinc/17/49/83/323174983.db2.gz NBFODJVZBMUZJL-GFCCVEGCSA-N 2 0 238.419 3.240 20 30 BGEDRP C=CCC[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000130526199 358629951 /nfs/dbraw/zinc/62/99/51/358629951.db2.gz YSFPKUTVXSKAIU-HNNXBMFYSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000130526409 358630058 /nfs/dbraw/zinc/63/00/58/358630058.db2.gz YSFPKUTVXSKAIU-OAHLLOKOSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000130559451 325066239 /nfs/dbraw/zinc/06/62/39/325066239.db2.gz IPVGEIVNSUWCDZ-CABCVRRESA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000130559687 325066653 /nfs/dbraw/zinc/06/66/53/325066653.db2.gz IPVGEIVNSUWCDZ-HUUCEWRRSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000130559878 325066374 /nfs/dbraw/zinc/06/63/74/325066374.db2.gz IPVGEIVNSUWCDZ-GJZGRUSLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000130560104 325066517 /nfs/dbraw/zinc/06/65/17/325066517.db2.gz IPVGEIVNSUWCDZ-LSDHHAIUSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@H](C)[NH2+]C1CC[NH+](CCCC)CC1 ZINC000130570270 325067770 /nfs/dbraw/zinc/06/77/70/325067770.db2.gz UKPVYOGUXYQLPT-AWEZNQCLSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]C1CC[NH+](CCCC)CC1 ZINC000130570488 325067956 /nfs/dbraw/zinc/06/79/56/325067956.db2.gz UKPVYOGUXYQLPT-CQSZACIVSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCC[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000130581577 358632406 /nfs/dbraw/zinc/63/24/06/358632406.db2.gz NYKWPTMYZIQBCQ-ZDUSSCGKSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000130581782 358632275 /nfs/dbraw/zinc/63/22/75/358632275.db2.gz NYKWPTMYZIQBCQ-CYBMUJFWSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCC[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000133096999 358745257 /nfs/dbraw/zinc/74/52/57/358745257.db2.gz VLRDALOZNKMVPF-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP CCCCCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152426725 641573449 /nfs/dbraw/zinc/57/34/49/641573449.db2.gz FLTJEVUYXVNUIU-HNNXBMFYSA-N 2 0 240.435 3.230 20 30 BGEDRP CCCCCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152426855 641573166 /nfs/dbraw/zinc/57/31/66/641573166.db2.gz FLTJEVUYXVNUIU-OAHLLOKOSA-N 2 0 240.435 3.230 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157583289 641620438 /nfs/dbraw/zinc/62/04/38/641620438.db2.gz AVAQOFNENHTVRF-HUUCEWRRSA-N 2 0 238.419 3.173 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157583472 641620405 /nfs/dbraw/zinc/62/04/05/641620405.db2.gz AVAQOFNENHTVRF-LSDHHAIUSA-N 2 0 238.419 3.173 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157781919 641622065 /nfs/dbraw/zinc/62/20/65/641622065.db2.gz YRIXMBGBFMNYDW-KGLIPLIRSA-N 2 0 226.408 3.029 20 30 BGEDRP CCCCCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000157882225 640766761 /nfs/dbraw/zinc/76/67/61/640766761.db2.gz VWGLIINLMHSQTK-UHFFFAOYSA-N 2 0 240.435 3.419 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000158148620 631827353 /nfs/dbraw/zinc/82/73/53/631827353.db2.gz UEQINTCRQXJDBY-OAHLLOKOSA-N 2 0 240.435 3.230 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000158148766 631826653 /nfs/dbraw/zinc/82/66/53/631826653.db2.gz UEQINTCRQXJDBY-HNNXBMFYSA-N 2 0 240.435 3.230 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000166075492 640611336 /nfs/dbraw/zinc/61/13/36/640611336.db2.gz YBNRUQVTGUOMKO-KGLIPLIRSA-N 2 0 226.408 3.016 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000166075612 635270595 /nfs/dbraw/zinc/27/05/95/635270595.db2.gz YBNRUQVTGUOMKO-ZIAGYGMSSA-N 2 0 226.408 3.016 20 30 BGEDRP CCCCCCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173886860 641210716 /nfs/dbraw/zinc/21/07/16/641210716.db2.gz XKSXYNRDFGANDB-OAHLLOKOSA-N 2 0 240.435 3.230 20 30 BGEDRP CCCCCCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173886872 641211720 /nfs/dbraw/zinc/21/17/20/641211720.db2.gz XKSXYNRDFGANDB-HNNXBMFYSA-N 2 0 240.435 3.230 20 30 BGEDRP CCCCCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000178210970 633002993 /nfs/dbraw/zinc/00/29/93/633002993.db2.gz ZADADQIJLMPNFX-UHFFFAOYSA-N 2 0 240.435 3.373 20 30 BGEDRP C=C(C)C[NH+](C)CCCCC[N@@H+](C)CC(=C)C ZINC000181275160 384481906 /nfs/dbraw/zinc/48/19/06/384481906.db2.gz CTTOPCYDVJMYBJ-UHFFFAOYSA-N 2 0 238.419 3.173 20 30 BGEDRP C=CC[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182744073 347104564 /nfs/dbraw/zinc/10/45/64/347104564.db2.gz XMJWIJDMEINMLS-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000187694526 259302393 /nfs/dbraw/zinc/30/23/93/259302393.db2.gz PQJMJTWWKUETON-HUUCEWRRSA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000187694563 259302697 /nfs/dbraw/zinc/30/26/97/259302697.db2.gz PQJMJTWWKUETON-CABCVRRESA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000187694583 259302808 /nfs/dbraw/zinc/30/28/08/259302808.db2.gz PQJMJTWWKUETON-GJZGRUSLSA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000193356381 324201363 /nfs/dbraw/zinc/20/13/63/324201363.db2.gz OQOKWKFWUQNMTA-OAHLLOKOSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000193356394 324201149 /nfs/dbraw/zinc/20/11/49/324201149.db2.gz OQOKWKFWUQNMTA-HNNXBMFYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000193371145 388702165 /nfs/dbraw/zinc/70/21/65/388702165.db2.gz IMCGWYQQTGZTNC-HNNXBMFYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CCCCCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000193371156 388702754 /nfs/dbraw/zinc/70/27/54/388702754.db2.gz IMCGWYQQTGZTNC-OAHLLOKOSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CCCCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000193424523 388703283 /nfs/dbraw/zinc/70/32/83/388703283.db2.gz UMGDWKDFIHKPFZ-UHFFFAOYSA-N 2 0 238.419 3.195 20 30 BGEDRP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226010357 711757451 /nfs/dbraw/zinc/75/74/51/711757451.db2.gz VGBVHXGSGSFTAW-UONOGXRCSA-N 2 0 226.408 3.016 20 30 BGEDRP CCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226010370 640721643 /nfs/dbraw/zinc/72/16/43/640721643.db2.gz VGBVHXGSGSFTAW-KBPBESRZSA-N 2 0 226.408 3.016 20 30 BGEDRP CCCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226865832 640801443 /nfs/dbraw/zinc/80/14/43/640801443.db2.gz MGXOWPIOIXAXEE-LSDHHAIUSA-N 2 0 240.435 3.419 20 30 BGEDRP CCCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226865838 635443813 /nfs/dbraw/zinc/44/38/13/635443813.db2.gz MGXOWPIOIXAXEE-GJZGRUSLSA-N 2 0 240.435 3.419 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226866962 640802272 /nfs/dbraw/zinc/80/22/72/640802272.db2.gz YRIXMBGBFMNYDW-UONOGXRCSA-N 2 0 226.408 3.029 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226866972 640802832 /nfs/dbraw/zinc/80/28/32/640802832.db2.gz YRIXMBGBFMNYDW-KBPBESRZSA-N 2 0 226.408 3.029 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227054571 635447031 /nfs/dbraw/zinc/44/70/31/635447031.db2.gz YBNRUQVTGUOMKO-UONOGXRCSA-N 2 0 226.408 3.016 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227054575 640811563 /nfs/dbraw/zinc/81/15/63/640811563.db2.gz YBNRUQVTGUOMKO-KBPBESRZSA-N 2 0 226.408 3.016 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000228608951 387112283 /nfs/dbraw/zinc/11/22/83/387112283.db2.gz KAZBSNHOULMZDC-CABCVRRESA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCCCCC[NH2+]C1CC[NH+](CCC)CC1 ZINC000233033182 342894053 /nfs/dbraw/zinc/89/40/53/342894053.db2.gz SUZJWWAQFKSKRY-UHFFFAOYSA-N 2 0 238.419 3.197 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250795969 635701585 /nfs/dbraw/zinc/70/15/85/635701585.db2.gz ATFJQXQZQQYQCA-KGLIPLIRSA-N 2 0 226.408 3.159 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250795972 635701043 /nfs/dbraw/zinc/70/10/43/635701043.db2.gz ATFJQXQZQQYQCA-ZIAGYGMSSA-N 2 0 226.408 3.159 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250796028 635701566 /nfs/dbraw/zinc/70/15/66/635701566.db2.gz AVAQOFNENHTVRF-CABCVRRESA-N 2 0 238.419 3.173 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250796032 644780849 /nfs/dbraw/zinc/78/08/49/644780849.db2.gz AVAQOFNENHTVRF-GJZGRUSLSA-N 2 0 238.419 3.173 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000252808468 135111892 /nfs/dbraw/zinc/11/18/92/135111892.db2.gz KAZBSNHOULMZDC-HUUCEWRRSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261568466 534554428 /nfs/dbraw/zinc/55/44/28/534554428.db2.gz JCUQIMRZODSNNQ-CABCVRRESA-N 2 0 244.382 3.323 20 30 BGEDRP C=CCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261568467 534554343 /nfs/dbraw/zinc/55/43/43/534554343.db2.gz JCUQIMRZODSNNQ-GJZGRUSLSA-N 2 0 244.382 3.323 20 30 BGEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261568468 534552456 /nfs/dbraw/zinc/55/24/56/534552456.db2.gz JCUQIMRZODSNNQ-HUUCEWRRSA-N 2 0 244.382 3.323 20 30 BGEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261568469 534553374 /nfs/dbraw/zinc/55/33/74/534553374.db2.gz JCUQIMRZODSNNQ-LSDHHAIUSA-N 2 0 244.382 3.323 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CCCn1ccnc1C ZINC000268872767 166296209 /nfs/dbraw/zinc/29/62/09/166296209.db2.gz PNSNALODVXGIKX-OAHLLOKOSA-N 2 0 249.402 3.306 20 30 BGEDRP C=CCC[NH+](C)CCCCC[N@@H+](C)CCC=C ZINC000276335385 166256674 /nfs/dbraw/zinc/25/66/74/166256674.db2.gz BSTDSQOFVJIBQD-UHFFFAOYSA-N 2 0 238.419 3.173 20 30 BGEDRP C=CC[C@@H](CC)[NH2+]Cc1cnc2ccc(C)cn12 ZINC000281430079 353447406 /nfs/dbraw/zinc/44/74/06/353447406.db2.gz RLZWQEOKZMIBHG-CYBMUJFWSA-N 2 0 243.354 3.087 20 30 BGEDRP C=CC[C@H](CC)[NH2+]Cc1cnc2ccc(C)cn12 ZINC000281430082 353447657 /nfs/dbraw/zinc/44/76/57/353447657.db2.gz RLZWQEOKZMIBHG-ZDUSSCGKSA-N 2 0 243.354 3.087 20 30 BGEDRP C=C(C)C[N@H+](CC)CCCc1cnccc1C ZINC000289193510 353619959 /nfs/dbraw/zinc/61/99/59/353619959.db2.gz UQEPZLZRKOKVLD-UHFFFAOYSA-N 2 0 232.371 3.221 20 30 BGEDRP C=CCCCC[NH2+]CCCc1cnccc1C ZINC000289512773 353630315 /nfs/dbraw/zinc/63/03/15/353630315.db2.gz DGUTTXOLIHFMOW-UHFFFAOYSA-N 2 0 232.371 3.269 20 30 BGEDRP C=CC[C@H](CC)[NH2+]CCCc1cnccc1C ZINC000289601667 353622653 /nfs/dbraw/zinc/62/26/53/353622653.db2.gz IZZJTESHFLKJPY-HNNXBMFYSA-N 2 0 232.371 3.267 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297473272 343070049 /nfs/dbraw/zinc/07/00/49/343070049.db2.gz JASYOTVLIZLQQH-AWEZNQCLSA-N 2 0 243.354 3.169 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297473276 136208586 /nfs/dbraw/zinc/20/85/86/136208586.db2.gz JASYOTVLIZLQQH-CQSZACIVSA-N 2 0 243.354 3.169 20 30 BGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297537874 384834691 /nfs/dbraw/zinc/83/46/91/384834691.db2.gz ONTFUROFYIWYLT-CHWSQXEVSA-N 2 0 243.354 3.025 20 30 BGEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297537877 384834205 /nfs/dbraw/zinc/83/42/05/384834205.db2.gz ONTFUROFYIWYLT-OLZOCXBDSA-N 2 0 243.354 3.025 20 30 BGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297537880 133453886 /nfs/dbraw/zinc/45/38/86/133453886.db2.gz ONTFUROFYIWYLT-QWHCGFSZSA-N 2 0 243.354 3.025 20 30 BGEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297537883 384832749 /nfs/dbraw/zinc/83/27/49/384832749.db2.gz ONTFUROFYIWYLT-STQMWFEESA-N 2 0 243.354 3.025 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000301814519 592539049 /nfs/dbraw/zinc/53/90/49/592539049.db2.gz ZHKFEFHZWHXLFV-HNNXBMFYSA-N 2 0 238.419 3.032 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000301814520 592538755 /nfs/dbraw/zinc/53/87/55/592538755.db2.gz ZHKFEFHZWHXLFV-OAHLLOKOSA-N 2 0 238.419 3.032 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000309599086 385726607 /nfs/dbraw/zinc/72/66/07/385726607.db2.gz XDAYFLMRDYWNLE-KBPBESRZSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000309599087 385726685 /nfs/dbraw/zinc/72/66/85/385726685.db2.gz XDAYFLMRDYWNLE-KGLIPLIRSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000309599088 134469632 /nfs/dbraw/zinc/46/96/32/134469632.db2.gz XDAYFLMRDYWNLE-UONOGXRCSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000309599089 385727672 /nfs/dbraw/zinc/72/76/72/385727672.db2.gz XDAYFLMRDYWNLE-ZIAGYGMSSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)CCCC ZINC000309877925 384461663 /nfs/dbraw/zinc/46/16/63/384461663.db2.gz UBAPDVLQWLBSNA-KBPBESRZSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)CCCC ZINC000309877927 384460956 /nfs/dbraw/zinc/46/09/56/384460956.db2.gz UBAPDVLQWLBSNA-KGLIPLIRSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCC[C@H](C)[NH2+][C@H](C)CN(CC)CCC ZINC000310020211 385042867 /nfs/dbraw/zinc/04/28/67/385042867.db2.gz MVZSGFHVCGZVFS-UONOGXRCSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCC[C@@H](C)[NH2+][C@H](C)CN(CC)CCC ZINC000310020212 385042878 /nfs/dbraw/zinc/04/28/78/385042878.db2.gz MVZSGFHVCGZVFS-ZIAGYGMSSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCCCCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000310119566 634075295 /nfs/dbraw/zinc/07/52/95/634075295.db2.gz DILPUGSTHALJGM-UHFFFAOYSA-N 2 0 238.419 3.054 20 30 BGEDRP C=CCCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000310174808 388476418 /nfs/dbraw/zinc/47/64/18/388476418.db2.gz MADQFMBKDYFIOA-CABCVRRESA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000310174809 388476550 /nfs/dbraw/zinc/47/65/50/388476550.db2.gz MADQFMBKDYFIOA-GJZGRUSLSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000310174810 527171531 /nfs/dbraw/zinc/17/15/31/527171531.db2.gz MADQFMBKDYFIOA-HUUCEWRRSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000310174811 388477568 /nfs/dbraw/zinc/47/75/68/388477568.db2.gz MADQFMBKDYFIOA-LSDHHAIUSA-N 2 0 238.419 3.243 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310208363 632708876 /nfs/dbraw/zinc/70/88/76/632708876.db2.gz CBFQAMIOFFDZRR-GJZGRUSLSA-N 2 0 238.419 3.031 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310208368 632708338 /nfs/dbraw/zinc/70/83/38/632708338.db2.gz CBFQAMIOFFDZRR-HUUCEWRRSA-N 2 0 238.419 3.031 20 30 BGEDRP CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310208375 632708552 /nfs/dbraw/zinc/70/85/52/632708552.db2.gz CBFQAMIOFFDZRR-LSDHHAIUSA-N 2 0 238.419 3.031 20 30 BGEDRP C=CCCCCCC[NH2+]C1CC[NH+](CC)CC1 ZINC000310296393 634105824 /nfs/dbraw/zinc/10/58/24/634105824.db2.gz MBDKIUWEFBPCQE-UHFFFAOYSA-N 2 0 238.419 3.197 20 30 BGEDRP CCCCCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310545642 632755305 /nfs/dbraw/zinc/75/53/05/632755305.db2.gz UVLIUPYCBGAIMZ-UHFFFAOYSA-N 2 0 238.419 3.032 20 30 BGEDRP CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322398435 636861910 /nfs/dbraw/zinc/86/19/10/636861910.db2.gz TVISLXZVAWMWDQ-GOOCMWNKSA-N 2 0 238.419 3.172 20 30 BGEDRP C=CCC(C)(C)C[NH2+]C1CC[NH+](CCC)CC1 ZINC000336652497 350581085 /nfs/dbraw/zinc/58/10/85/350581085.db2.gz CAOIQXDQDBTYJX-UHFFFAOYSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC(C)(C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000336652526 385642514 /nfs/dbraw/zinc/64/25/14/385642514.db2.gz CFAYSGFJNPELPR-UHFFFAOYSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@H](C)[NH2+][C@@H](C)CN(CC)CCC ZINC000336736816 351930401 /nfs/dbraw/zinc/93/04/01/351930401.db2.gz MVZSGFHVCGZVFS-KBPBESRZSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(CC)CCC ZINC000336736817 351930290 /nfs/dbraw/zinc/93/02/90/351930290.db2.gz MVZSGFHVCGZVFS-KGLIPLIRSA-N 2 0 226.408 3.051 20 30 BGEDRP C=CCCCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337273884 135009595 /nfs/dbraw/zinc/00/95/95/135009595.db2.gz PJXIFWZUHAUOGL-UHFFFAOYSA-N 2 0 238.419 3.151 20 30 BGEDRP C=CCC[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340480746 135186804 /nfs/dbraw/zinc/18/68/04/135186804.db2.gz UZPHOHZKBFBOSY-HNNXBMFYSA-N 2 0 238.419 3.197 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340480747 135187067 /nfs/dbraw/zinc/18/70/67/135187067.db2.gz UZPHOHZKBFBOSY-OAHLLOKOSA-N 2 0 238.419 3.197 20 30 BGEDRP C=CCCC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000340762905 135229053 /nfs/dbraw/zinc/22/90/53/135229053.db2.gz BYKIDKOMXHJKAG-AWEZNQCLSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000340762906 135229201 /nfs/dbraw/zinc/22/92/01/135229201.db2.gz BYKIDKOMXHJKAG-CQSZACIVSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCC[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000340835415 135229673 /nfs/dbraw/zinc/22/96/73/135229673.db2.gz RIDVQLWEOGOGOB-AWEZNQCLSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCCC[C@@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000340835418 135229763 /nfs/dbraw/zinc/22/97/63/135229763.db2.gz RIDVQLWEOGOGOB-CQSZACIVSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCC[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1 ZINC000341932599 135244891 /nfs/dbraw/zinc/24/48/91/135244891.db2.gz RBRAFCKGCLPOKZ-INIZCTEOSA-N 2 0 246.398 3.235 20 30 BGEDRP C=CCC[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1 ZINC000341932600 534796187 /nfs/dbraw/zinc/79/61/87/534796187.db2.gz RBRAFCKGCLPOKZ-MRXNPFEDSA-N 2 0 246.398 3.235 20 30 BGEDRP C=CC[C@@H](CC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000343463654 353897348 /nfs/dbraw/zinc/89/73/48/353897348.db2.gz MNSJEWZBPRGCHY-CYBMUJFWSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000343463656 353897335 /nfs/dbraw/zinc/89/73/35/353897335.db2.gz MNSJEWZBPRGCHY-ZDUSSCGKSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000344572232 135782088 /nfs/dbraw/zinc/78/20/88/135782088.db2.gz AICJGLZTCUXGBQ-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CCCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347582411 355232065 /nfs/dbraw/zinc/23/20/65/355232065.db2.gz FDBMIFNDYAGJKV-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=C(C)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000351719262 133982532 /nfs/dbraw/zinc/98/25/32/133982532.db2.gz LPVCVFCQAAVXQQ-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=C(C)CC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000351851344 136257926 /nfs/dbraw/zinc/25/79/26/136257926.db2.gz IRSRRFZTHCWSTN-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356796941 134179356 /nfs/dbraw/zinc/17/93/56/134179356.db2.gz ZMPWKKTXQYMOEF-AWEZNQCLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356796943 134179169 /nfs/dbraw/zinc/17/91/69/134179169.db2.gz ZMPWKKTXQYMOEF-CQSZACIVSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357872915 134185840 /nfs/dbraw/zinc/18/58/40/134185840.db2.gz JUSPQKKUKFWWOU-AWEZNQCLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357872917 134185893 /nfs/dbraw/zinc/18/58/93/134185893.db2.gz JUSPQKKUKFWWOU-CQSZACIVSA-N 2 0 238.419 3.053 20 30 BGEDRP C=C(CC)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000358622134 534382309 /nfs/dbraw/zinc/38/23/09/534382309.db2.gz CCTMEZNRXMOQHB-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=C(CC)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000358744632 534382767 /nfs/dbraw/zinc/38/27/67/534382767.db2.gz MJMRFRVOQVMIRM-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CCCCCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359227671 134194112 /nfs/dbraw/zinc/19/41/12/134194112.db2.gz WYEJAHHZCXOLMM-UHFFFAOYSA-N 2 0 238.419 3.054 20 30 BGEDRP C=CCCCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365341517 350242942 /nfs/dbraw/zinc/24/29/42/350242942.db2.gz FGTRTQRREIVICO-HNNXBMFYSA-N 2 0 238.419 3.149 20 30 BGEDRP C=CCCCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365341533 350242789 /nfs/dbraw/zinc/24/27/89/350242789.db2.gz FGTRTQRREIVICO-OAHLLOKOSA-N 2 0 238.419 3.149 20 30 BGEDRP C=CCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000380139282 712698929 /nfs/dbraw/zinc/69/89/29/712698929.db2.gz PTODRZDMMVUYDT-CABCVRRESA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000380139289 712698983 /nfs/dbraw/zinc/69/89/83/712698983.db2.gz PTODRZDMMVUYDT-GJZGRUSLSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000380139291 712698951 /nfs/dbraw/zinc/69/89/51/712698951.db2.gz PTODRZDMMVUYDT-HUUCEWRRSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000380139297 712698940 /nfs/dbraw/zinc/69/89/40/712698940.db2.gz PTODRZDMMVUYDT-LSDHHAIUSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCCCCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000380162515 711666523 /nfs/dbraw/zinc/66/65/23/711666523.db2.gz VEUOGXMFRFVHGQ-CABCVRRESA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCCCCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000380162517 712702899 /nfs/dbraw/zinc/70/28/99/712702899.db2.gz VEUOGXMFRFVHGQ-GJZGRUSLSA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCCCCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000380162519 712702976 /nfs/dbraw/zinc/70/29/76/712702976.db2.gz VEUOGXMFRFVHGQ-HUUCEWRRSA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCCCCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000380162521 712703056 /nfs/dbraw/zinc/70/30/56/712703056.db2.gz VEUOGXMFRFVHGQ-LSDHHAIUSA-N 2 0 238.419 3.230 20 30 BGEDRP C=CC(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384913566 367755873 /nfs/dbraw/zinc/75/58/73/367755873.db2.gz CMWQADAPSGMSNZ-KBPBESRZSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CC(C)(C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384913567 367756314 /nfs/dbraw/zinc/75/63/14/367756314.db2.gz CMWQADAPSGMSNZ-KGLIPLIRSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CC(C)(C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000384913568 367756491 /nfs/dbraw/zinc/75/64/91/367756491.db2.gz CMWQADAPSGMSNZ-UONOGXRCSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CC(C)(C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000384913569 367756094 /nfs/dbraw/zinc/75/60/94/367756094.db2.gz CMWQADAPSGMSNZ-ZIAGYGMSSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000387462619 368215267 /nfs/dbraw/zinc/21/52/67/368215267.db2.gz XDMKHHUKTVWVCX-UHFFFAOYSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CC[C@H](CC)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000393746638 387941578 /nfs/dbraw/zinc/94/15/78/387941578.db2.gz KMOJGYOMPARLKQ-ILXRZTDVSA-N 2 0 238.419 3.242 20 30 BGEDRP C=CC[C@H](CC)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000393746641 388440037 /nfs/dbraw/zinc/44/00/37/388440037.db2.gz KMOJGYOMPARLKQ-KKUMJFAQSA-N 2 0 238.419 3.242 20 30 BGEDRP C=CC[C@H](CC)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000393746643 388440404 /nfs/dbraw/zinc/44/04/04/388440404.db2.gz KMOJGYOMPARLKQ-QLFBSQMISA-N 2 0 238.419 3.242 20 30 BGEDRP C=CC[C@H](CC)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000393746646 388440359 /nfs/dbraw/zinc/44/03/59/388440359.db2.gz KMOJGYOMPARLKQ-SOUVJXGZSA-N 2 0 238.419 3.242 20 30 BGEDRP C=CC[C@H](CC)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393750225 387953883 /nfs/dbraw/zinc/95/38/83/387953883.db2.gz NVGRIVDEROKWFT-CQDKDKBSSA-N 2 0 230.355 3.076 20 30 BGEDRP C=CC[C@H](CC)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393750227 387953986 /nfs/dbraw/zinc/95/39/86/387953986.db2.gz NVGRIVDEROKWFT-GLQYFDAESA-N 2 0 230.355 3.076 20 30 BGEDRP C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393750229 387954881 /nfs/dbraw/zinc/95/48/81/387954881.db2.gz NVGRIVDEROKWFT-NILFDRSVSA-N 2 0 230.355 3.076 20 30 BGEDRP C=CC[C@H](CC)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393750231 388440108 /nfs/dbraw/zinc/44/01/08/388440108.db2.gz NVGRIVDEROKWFT-TUKIKUTGSA-N 2 0 230.355 3.076 20 30 BGEDRP CCCCCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396425141 711219559 /nfs/dbraw/zinc/21/95/59/711219559.db2.gz CVCNDZSGNIFIPN-AWEZNQCLSA-N 2 0 240.435 3.277 20 30 BGEDRP CCCCCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000396425142 711219294 /nfs/dbraw/zinc/21/92/94/711219294.db2.gz CVCNDZSGNIFIPN-CQSZACIVSA-N 2 0 240.435 3.277 20 30 BGEDRP C=CCCCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396459710 487613845 /nfs/dbraw/zinc/61/38/45/487613845.db2.gz LUVVTEDEEZGLSX-AWEZNQCLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000396459712 487613772 /nfs/dbraw/zinc/61/37/72/487613772.db2.gz LUVVTEDEEZGLSX-CQSZACIVSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000398090655 583119472 /nfs/dbraw/zinc/11/94/72/583119472.db2.gz XQYLWHVXEDBVEK-KBPBESRZSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCC[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000398090656 583119586 /nfs/dbraw/zinc/11/95/86/583119586.db2.gz XQYLWHVXEDBVEK-KGLIPLIRSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000398090657 583119535 /nfs/dbraw/zinc/11/95/35/583119535.db2.gz XQYLWHVXEDBVEK-UONOGXRCSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCC[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000398090658 583119483 /nfs/dbraw/zinc/11/94/83/583119483.db2.gz XQYLWHVXEDBVEK-ZIAGYGMSSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398169258 384822448 /nfs/dbraw/zinc/82/24/48/384822448.db2.gz KRIVPGKUBHFHNI-APHBMKBZSA-N 2 0 244.382 3.466 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398169260 384822377 /nfs/dbraw/zinc/82/23/77/384822377.db2.gz KRIVPGKUBHFHNI-MAZHCROVSA-N 2 0 244.382 3.466 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398169263 384823479 /nfs/dbraw/zinc/82/34/79/384823479.db2.gz KRIVPGKUBHFHNI-RCBQFDQVSA-N 2 0 244.382 3.466 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398169265 384822005 /nfs/dbraw/zinc/82/20/05/384822005.db2.gz KRIVPGKUBHFHNI-VBNZEHGJSA-N 2 0 244.382 3.466 20 30 BGEDRP C=C(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000411547442 191192706 /nfs/dbraw/zinc/19/27/06/191192706.db2.gz CQBKJUNQXGDLSY-CABCVRRESA-N 2 0 238.419 3.053 20 30 BGEDRP C=C(C)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000411547443 191192533 /nfs/dbraw/zinc/19/25/33/191192533.db2.gz CQBKJUNQXGDLSY-GJZGRUSLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000411547444 191192958 /nfs/dbraw/zinc/19/29/58/191192958.db2.gz CQBKJUNQXGDLSY-HUUCEWRRSA-N 2 0 238.419 3.053 20 30 BGEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000411547445 191192397 /nfs/dbraw/zinc/19/23/97/191192397.db2.gz CQBKJUNQXGDLSY-LSDHHAIUSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414718468 386250101 /nfs/dbraw/zinc/25/01/01/386250101.db2.gz ZCYKDYSRHXCFKP-CABCVRRESA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414718470 386249136 /nfs/dbraw/zinc/24/91/36/386249136.db2.gz ZCYKDYSRHXCFKP-GJZGRUSLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414718471 386248832 /nfs/dbraw/zinc/24/88/32/386248832.db2.gz ZCYKDYSRHXCFKP-HUUCEWRRSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414718473 386248769 /nfs/dbraw/zinc/24/87/69/386248769.db2.gz ZCYKDYSRHXCFKP-LSDHHAIUSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414815801 200767590 /nfs/dbraw/zinc/76/75/90/200767590.db2.gz VGCRUBQMVNFNAV-AWEZNQCLSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414815802 386652435 /nfs/dbraw/zinc/65/24/35/386652435.db2.gz VGCRUBQMVNFNAV-CQSZACIVSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414816804 411447102 /nfs/dbraw/zinc/44/71/02/411447102.db2.gz QUOWHLMBYZKRML-CHWSQXEVSA-N 2 0 232.371 3.151 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414816805 411447211 /nfs/dbraw/zinc/44/72/11/411447211.db2.gz QUOWHLMBYZKRML-OLZOCXBDSA-N 2 0 232.371 3.151 20 30 BGEDRP C=CCC[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414816806 411446602 /nfs/dbraw/zinc/44/66/02/411446602.db2.gz QUOWHLMBYZKRML-QWHCGFSZSA-N 2 0 232.371 3.151 20 30 BGEDRP C=CCC[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414816807 411447378 /nfs/dbraw/zinc/44/73/78/411447378.db2.gz QUOWHLMBYZKRML-STQMWFEESA-N 2 0 232.371 3.151 20 30 BGEDRP C=CCC[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415056668 386536988 /nfs/dbraw/zinc/53/69/88/386536988.db2.gz QDTSWKAPZRSGRG-GDBMZVCRSA-N 2 0 246.398 3.411 20 30 BGEDRP C=CCC[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415056669 386538892 /nfs/dbraw/zinc/53/88/92/386538892.db2.gz QDTSWKAPZRSGRG-GOEBONIOSA-N 2 0 246.398 3.411 20 30 BGEDRP C=CCC[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415056671 191664124 /nfs/dbraw/zinc/66/41/24/191664124.db2.gz QDTSWKAPZRSGRG-HOCLYGCPSA-N 2 0 246.398 3.411 20 30 BGEDRP C=CCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415056672 386536893 /nfs/dbraw/zinc/53/68/93/386536893.db2.gz QDTSWKAPZRSGRG-ZBFHGGJFSA-N 2 0 246.398 3.411 20 30 BGEDRP C=CCCCCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420299936 192207995 /nfs/dbraw/zinc/20/79/95/192207995.db2.gz JRXYGTKKZCIHHV-HNNXBMFYSA-N 2 0 238.419 3.054 20 30 BGEDRP C=CCCCCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420299938 192206471 /nfs/dbraw/zinc/20/64/71/192206471.db2.gz JRXYGTKKZCIHHV-OAHLLOKOSA-N 2 0 238.419 3.054 20 30 BGEDRP C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370109 192334906 /nfs/dbraw/zinc/33/49/06/192334906.db2.gz IXMRIMFMHFSWSH-DNDYEEKYSA-N 2 0 238.419 3.050 20 30 BGEDRP C=CC[C@H](C)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370110 192335334 /nfs/dbraw/zinc/33/53/34/192335334.db2.gz IXMRIMFMHFSWSH-HESLUPGFSA-N 2 0 238.419 3.050 20 30 BGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370111 192335125 /nfs/dbraw/zinc/33/51/25/192335125.db2.gz IXMRIMFMHFSWSH-LMRVLLHPSA-N 2 0 238.419 3.050 20 30 BGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370112 192335836 /nfs/dbraw/zinc/33/58/36/192335836.db2.gz IXMRIMFMHFSWSH-ZUJMUWTESA-N 2 0 238.419 3.050 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421380660 192323898 /nfs/dbraw/zinc/32/38/98/192323898.db2.gz YWUFJYMESIUEOZ-NFOMZHRRSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421380661 192324402 /nfs/dbraw/zinc/32/44/02/192324402.db2.gz YWUFJYMESIUEOZ-WLYUNCDWSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000422991499 387799821 /nfs/dbraw/zinc/79/98/21/387799821.db2.gz BHRMTIRPUIQFOI-INIZCTEOSA-N 2 0 244.382 3.036 20 30 BGEDRP C=CCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000422991500 387800808 /nfs/dbraw/zinc/80/08/08/387800808.db2.gz BHRMTIRPUIQFOI-MRXNPFEDSA-N 2 0 244.382 3.036 20 30 BGEDRP C=CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422996228 387803292 /nfs/dbraw/zinc/80/32/92/387803292.db2.gz LKKAGWTWUCKNIA-DZKIICNBSA-N 2 0 246.398 3.409 20 30 BGEDRP C=CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422996229 387802875 /nfs/dbraw/zinc/80/28/75/387802875.db2.gz LKKAGWTWUCKNIA-FMKPAKJESA-N 2 0 246.398 3.409 20 30 BGEDRP C=CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422996230 387802669 /nfs/dbraw/zinc/80/26/69/387802669.db2.gz LKKAGWTWUCKNIA-LZWOXQAQSA-N 2 0 246.398 3.409 20 30 BGEDRP C=CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422996231 387803438 /nfs/dbraw/zinc/80/34/38/387803438.db2.gz LKKAGWTWUCKNIA-YCPHGPKFSA-N 2 0 246.398 3.409 20 30 BGEDRP C=CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000422999607 387806050 /nfs/dbraw/zinc/80/60/50/387806050.db2.gz SXCDEKWWCJRDNP-GDBMZVCRSA-N 2 0 246.398 3.411 20 30 BGEDRP C=CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1 ZINC000422999608 387806009 /nfs/dbraw/zinc/80/60/09/387806009.db2.gz SXCDEKWWCJRDNP-GOEBONIOSA-N 2 0 246.398 3.411 20 30 BGEDRP C=CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1 ZINC000422999609 387804270 /nfs/dbraw/zinc/80/42/70/387804270.db2.gz SXCDEKWWCJRDNP-HOCLYGCPSA-N 2 0 246.398 3.411 20 30 BGEDRP C=CCC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000422999610 387805202 /nfs/dbraw/zinc/80/52/02/387805202.db2.gz SXCDEKWWCJRDNP-ZBFHGGJFSA-N 2 0 246.398 3.411 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423014955 387838465 /nfs/dbraw/zinc/83/84/65/387838465.db2.gz JPMKBQHUVOJOQF-KKUMJFAQSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423014956 387838460 /nfs/dbraw/zinc/83/84/60/387838460.db2.gz JPMKBQHUVOJOQF-RRFJBIMHSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423014957 192540034 /nfs/dbraw/zinc/54/00/34/192540034.db2.gz JPMKBQHUVOJOQF-SOUVJXGZSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423014958 387837889 /nfs/dbraw/zinc/83/78/89/387837889.db2.gz JPMKBQHUVOJOQF-ZNMIVQPWSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC1(C[NH2+][C@@H](C)CCCC[NH3+])CCCC1 ZINC000423169612 192605116 /nfs/dbraw/zinc/60/51/16/192605116.db2.gz ZPNBNBZWCPKLEM-AWEZNQCLSA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCC1(C[NH2+][C@H](C)CCCC[NH3+])CCCC1 ZINC000423169613 387954426 /nfs/dbraw/zinc/95/44/26/387954426.db2.gz ZPNBNBZWCPKLEM-CQSZACIVSA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CC1([NH3+])CCCCC1 ZINC000423188437 387973868 /nfs/dbraw/zinc/97/38/68/387973868.db2.gz ZENOXVGCXLANAK-AWEZNQCLSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CC1([NH3+])CCCCC1 ZINC000423188438 387973723 /nfs/dbraw/zinc/97/37/23/387973723.db2.gz ZENOXVGCXLANAK-CQSZACIVSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423188444 387973171 /nfs/dbraw/zinc/97/31/71/387973171.db2.gz ZEXSFOHACJXTHL-AWEZNQCLSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423188445 387974193 /nfs/dbraw/zinc/97/41/93/387974193.db2.gz ZEXSFOHACJXTHL-CQSZACIVSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423203236 387989926 /nfs/dbraw/zinc/98/99/26/387989926.db2.gz RZFIBUCFNMITMR-KBPBESRZSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423203237 387988910 /nfs/dbraw/zinc/98/89/10/387988910.db2.gz RZFIBUCFNMITMR-KGLIPLIRSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423203238 387988884 /nfs/dbraw/zinc/98/88/84/387988884.db2.gz RZFIBUCFNMITMR-UONOGXRCSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423203239 192626252 /nfs/dbraw/zinc/62/62/52/192626252.db2.gz RZFIBUCFNMITMR-ZIAGYGMSSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423204381 387990172 /nfs/dbraw/zinc/99/01/72/387990172.db2.gz AMKXKHXWNRRNNW-ILXRZTDVSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423204382 387989514 /nfs/dbraw/zinc/98/95/14/387989514.db2.gz AMKXKHXWNRRNNW-KFWWJZLASA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423204384 192626807 /nfs/dbraw/zinc/62/68/07/192626807.db2.gz AMKXKHXWNRRNNW-KKUMJFAQSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423204385 387988818 /nfs/dbraw/zinc/98/88/18/387988818.db2.gz AMKXKHXWNRRNNW-ZNMIVQPWSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423204574 387991117 /nfs/dbraw/zinc/99/11/17/387991117.db2.gz UUICYBQQYOSIAD-AWEZNQCLSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423204575 387990903 /nfs/dbraw/zinc/99/09/03/387990903.db2.gz UUICYBQQYOSIAD-CQSZACIVSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccco1 ZINC000423241486 388024978 /nfs/dbraw/zinc/02/49/78/388024978.db2.gz XWJQYKJEJJGGSA-JXQTWKCFSA-N 2 0 248.370 3.146 20 30 BGEDRP C=CCC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccco1 ZINC000423241487 388024463 /nfs/dbraw/zinc/02/44/63/388024463.db2.gz XWJQYKJEJJGGSA-RUXDESIVSA-N 2 0 248.370 3.146 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423262105 388040838 /nfs/dbraw/zinc/04/08/38/388040838.db2.gz UIKYRGHDXOVFRC-CABCVRRESA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423262106 192658543 /nfs/dbraw/zinc/65/85/43/192658543.db2.gz UIKYRGHDXOVFRC-GJZGRUSLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423262107 192657886 /nfs/dbraw/zinc/65/78/86/192657886.db2.gz UIKYRGHDXOVFRC-HUUCEWRRSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423262108 192657537 /nfs/dbraw/zinc/65/75/37/192657537.db2.gz UIKYRGHDXOVFRC-LSDHHAIUSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423269851 388015182 /nfs/dbraw/zinc/01/51/82/388015182.db2.gz FZFLTGGKYGYNDL-ILXRZTDVSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423269852 388014983 /nfs/dbraw/zinc/01/49/83/388014983.db2.gz FZFLTGGKYGYNDL-KKUMJFAQSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423269853 388015487 /nfs/dbraw/zinc/01/54/87/388015487.db2.gz FZFLTGGKYGYNDL-QLFBSQMISA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423269854 388014975 /nfs/dbraw/zinc/01/49/75/388014975.db2.gz FZFLTGGKYGYNDL-SOUVJXGZSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423274907 388055016 /nfs/dbraw/zinc/05/50/16/388055016.db2.gz MNAXTYQXWNTWSM-CABCVRRESA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423274908 388055261 /nfs/dbraw/zinc/05/52/61/388055261.db2.gz MNAXTYQXWNTWSM-GJZGRUSLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423274909 388054801 /nfs/dbraw/zinc/05/48/01/388054801.db2.gz MNAXTYQXWNTWSM-HUUCEWRRSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423274910 388054365 /nfs/dbraw/zinc/05/43/65/388054365.db2.gz MNAXTYQXWNTWSM-LSDHHAIUSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423278360 388060962 /nfs/dbraw/zinc/06/09/62/388060962.db2.gz PRCKVBCHDAZHPF-KKUMJFAQSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423278361 388060375 /nfs/dbraw/zinc/06/03/75/388060375.db2.gz PRCKVBCHDAZHPF-RRFJBIMHSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423278362 388060241 /nfs/dbraw/zinc/06/02/41/388060241.db2.gz PRCKVBCHDAZHPF-SOUVJXGZSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423278363 388060199 /nfs/dbraw/zinc/06/01/99/388060199.db2.gz PRCKVBCHDAZHPF-ZNMIVQPWSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CC([NH3+])(CC)CC ZINC000423288121 192680599 /nfs/dbraw/zinc/68/05/99/192680599.db2.gz QQKIMDQMMHUNFD-CYBMUJFWSA-N 2 0 226.408 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CC([NH3+])(CC)CC ZINC000423288122 388073046 /nfs/dbraw/zinc/07/30/46/388073046.db2.gz QQKIMDQMMHUNFD-ZDUSSCGKSA-N 2 0 226.408 3.228 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423291644 388076160 /nfs/dbraw/zinc/07/61/60/388076160.db2.gz JFWVLDVOSHEMAL-CYBMUJFWSA-N 2 0 226.408 3.228 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423291645 388075845 /nfs/dbraw/zinc/07/58/45/388075845.db2.gz JFWVLDVOSHEMAL-ZDUSSCGKSA-N 2 0 226.408 3.228 20 30 BGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423293549 192683589 /nfs/dbraw/zinc/68/35/89/192683589.db2.gz RRULSHXELMKEHF-BFHYXJOUSA-N 2 0 246.398 3.397 20 30 BGEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423293551 192683675 /nfs/dbraw/zinc/68/36/75/192683675.db2.gz RRULSHXELMKEHF-IHRRRGAJSA-N 2 0 246.398 3.397 20 30 BGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423293552 388076340 /nfs/dbraw/zinc/07/63/40/388076340.db2.gz RRULSHXELMKEHF-MELADBBJSA-N 2 0 246.398 3.397 20 30 BGEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423293554 388075957 /nfs/dbraw/zinc/07/59/57/388075957.db2.gz RRULSHXELMKEHF-MJBXVCDLSA-N 2 0 246.398 3.397 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423322341 387166154 /nfs/dbraw/zinc/16/61/54/387166154.db2.gz GYHWAXGYRDBZMS-AWEZNQCLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423322343 387165708 /nfs/dbraw/zinc/16/57/08/387165708.db2.gz GYHWAXGYRDBZMS-CQSZACIVSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423344730 387194458 /nfs/dbraw/zinc/19/44/58/387194458.db2.gz OMNSWTPXAWLOME-CABCVRRESA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423344731 387194831 /nfs/dbraw/zinc/19/48/31/387194831.db2.gz OMNSWTPXAWLOME-GJZGRUSLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423344733 387194773 /nfs/dbraw/zinc/19/47/73/387194773.db2.gz OMNSWTPXAWLOME-HUUCEWRRSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423344735 387195907 /nfs/dbraw/zinc/19/59/07/387195907.db2.gz OMNSWTPXAWLOME-LSDHHAIUSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423345319 387196096 /nfs/dbraw/zinc/19/60/96/387196096.db2.gz YSDGRDIBJAVMKH-CABCVRRESA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423345320 192720536 /nfs/dbraw/zinc/72/05/36/192720536.db2.gz YSDGRDIBJAVMKH-GJZGRUSLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423345321 387195999 /nfs/dbraw/zinc/19/59/99/387195999.db2.gz YSDGRDIBJAVMKH-HUUCEWRRSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423345322 387195202 /nfs/dbraw/zinc/19/52/02/387195202.db2.gz YSDGRDIBJAVMKH-LSDHHAIUSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423346196 387194332 /nfs/dbraw/zinc/19/43/32/387194332.db2.gz ZLVQHXSMVWOOGH-AWEZNQCLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423346197 387195581 /nfs/dbraw/zinc/19/55/81/387195581.db2.gz ZLVQHXSMVWOOGH-CQSZACIVSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423367425 387218357 /nfs/dbraw/zinc/21/83/57/387218357.db2.gz CKYCIFIHNLFMMG-INIZCTEOSA-N 2 0 244.382 3.124 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423367427 387218958 /nfs/dbraw/zinc/21/89/58/387218958.db2.gz CKYCIFIHNLFMMG-MRXNPFEDSA-N 2 0 244.382 3.124 20 30 BGEDRP C=CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000423405531 384855277 /nfs/dbraw/zinc/85/52/77/384855277.db2.gz YBUFLYSHGGJLST-IHRRRGAJSA-N 2 0 248.370 3.146 20 30 BGEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000423405533 384856613 /nfs/dbraw/zinc/85/66/13/384856613.db2.gz YBUFLYSHGGJLST-MCIONIFRSA-N 2 0 248.370 3.146 20 30 BGEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000423405534 384856057 /nfs/dbraw/zinc/85/60/57/384856057.db2.gz YBUFLYSHGGJLST-MJBXVCDLSA-N 2 0 248.370 3.146 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418213 387248920 /nfs/dbraw/zinc/24/89/20/387248920.db2.gz HDWKJIQBJIFYSM-KKUMJFAQSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418214 387249386 /nfs/dbraw/zinc/24/93/86/387249386.db2.gz HDWKJIQBJIFYSM-RBSFLKMASA-N 2 0 238.419 3.086 20 30 BGEDRP C=CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccco1 ZINC000423446889 387294936 /nfs/dbraw/zinc/29/49/36/387294936.db2.gz CWCALTAJDMHUQK-CHWSQXEVSA-N 2 0 236.359 3.004 20 30 BGEDRP C=CCC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccco1 ZINC000423446892 387295850 /nfs/dbraw/zinc/29/58/50/387295850.db2.gz CWCALTAJDMHUQK-OLZOCXBDSA-N 2 0 236.359 3.004 20 30 BGEDRP C=CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccco1 ZINC000423446893 387294549 /nfs/dbraw/zinc/29/45/49/387294549.db2.gz CWCALTAJDMHUQK-QWHCGFSZSA-N 2 0 236.359 3.004 20 30 BGEDRP C=CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccco1 ZINC000423446896 387294830 /nfs/dbraw/zinc/29/48/30/387294830.db2.gz CWCALTAJDMHUQK-STQMWFEESA-N 2 0 236.359 3.004 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423461777 387311278 /nfs/dbraw/zinc/31/12/78/387311278.db2.gz CSILAXFWCIVACA-KKUMJFAQSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423461778 387310328 /nfs/dbraw/zinc/31/03/28/387310328.db2.gz CSILAXFWCIVACA-RRFJBIMHSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423461781 387310605 /nfs/dbraw/zinc/31/06/05/387310605.db2.gz CSILAXFWCIVACA-SOUVJXGZSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423461783 387311234 /nfs/dbraw/zinc/31/12/34/387311234.db2.gz CSILAXFWCIVACA-ZNMIVQPWSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423466977 192782504 /nfs/dbraw/zinc/78/25/04/192782504.db2.gz AXCAEZRVPNRBIS-CABCVRRESA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423466981 387314853 /nfs/dbraw/zinc/31/48/53/387314853.db2.gz AXCAEZRVPNRBIS-GJZGRUSLSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423466983 387314723 /nfs/dbraw/zinc/31/47/23/387314723.db2.gz AXCAEZRVPNRBIS-HUUCEWRRSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423466986 387315532 /nfs/dbraw/zinc/31/55/32/387315532.db2.gz AXCAEZRVPNRBIS-LSDHHAIUSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423467678 387315071 /nfs/dbraw/zinc/31/50/71/387315071.db2.gz UDXCBCZHJLEXDF-ILXRZTDVSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423467681 387314505 /nfs/dbraw/zinc/31/45/05/387314505.db2.gz UDXCBCZHJLEXDF-KFWWJZLASA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423467682 387315925 /nfs/dbraw/zinc/31/59/25/387315925.db2.gz UDXCBCZHJLEXDF-KKUMJFAQSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423467684 387314181 /nfs/dbraw/zinc/31/41/81/387314181.db2.gz UDXCBCZHJLEXDF-ZNMIVQPWSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488677 387333946 /nfs/dbraw/zinc/33/39/46/387333946.db2.gz VLTOADGNPNWJCJ-CABCVRRESA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488678 387333974 /nfs/dbraw/zinc/33/39/74/387333974.db2.gz VLTOADGNPNWJCJ-GJZGRUSLSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488679 387334282 /nfs/dbraw/zinc/33/42/82/387334282.db2.gz VLTOADGNPNWJCJ-HUUCEWRRSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488680 387334262 /nfs/dbraw/zinc/33/42/62/387334262.db2.gz VLTOADGNPNWJCJ-LSDHHAIUSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccco1 ZINC000423496223 387337933 /nfs/dbraw/zinc/33/79/33/387337933.db2.gz GCHHIRDHVLRFTJ-IHRRRGAJSA-N 2 0 248.370 3.004 20 30 BGEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccco1 ZINC000423496224 387338803 /nfs/dbraw/zinc/33/88/03/387338803.db2.gz GCHHIRDHVLRFTJ-MCIONIFRSA-N 2 0 248.370 3.004 20 30 BGEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccco1 ZINC000423496225 387338280 /nfs/dbraw/zinc/33/82/80/387338280.db2.gz GCHHIRDHVLRFTJ-MJBXVCDLSA-N 2 0 248.370 3.004 20 30 BGEDRP C=CCC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccco1 ZINC000423496226 192795319 /nfs/dbraw/zinc/79/53/19/192795319.db2.gz GCHHIRDHVLRFTJ-RDBSUJKOSA-N 2 0 248.370 3.004 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535571 387360837 /nfs/dbraw/zinc/36/08/37/387360837.db2.gz DIUVXUUQNHOAQC-AWEZNQCLSA-N 2 0 236.403 3.021 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535572 387361743 /nfs/dbraw/zinc/36/17/43/387361743.db2.gz DIUVXUUQNHOAQC-CQSZACIVSA-N 2 0 236.403 3.021 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535837 192806338 /nfs/dbraw/zinc/80/63/38/192806338.db2.gz FOOIHKNQHXKHBI-HNNXBMFYSA-N 2 0 236.403 3.021 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535838 192806058 /nfs/dbraw/zinc/80/60/58/192806058.db2.gz FOOIHKNQHXKHBI-OAHLLOKOSA-N 2 0 236.403 3.021 20 30 BGEDRP C=CCCC[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429539710 201113218 /nfs/dbraw/zinc/11/32/18/201113218.db2.gz KQYHOCJYYIRTGI-CABCVRRESA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCC[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429539711 201112117 /nfs/dbraw/zinc/11/21/17/201112117.db2.gz KQYHOCJYYIRTGI-GJZGRUSLSA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429539712 201113176 /nfs/dbraw/zinc/11/31/76/201113176.db2.gz KQYHOCJYYIRTGI-HUUCEWRRSA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCC[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429539713 201113327 /nfs/dbraw/zinc/11/33/27/201113327.db2.gz KQYHOCJYYIRTGI-LSDHHAIUSA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000439078365 387977623 /nfs/dbraw/zinc/97/76/23/387977623.db2.gz PMJUIPVSPURNTP-HNNXBMFYSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000439078366 387977666 /nfs/dbraw/zinc/97/76/66/387977666.db2.gz PMJUIPVSPURNTP-OAHLLOKOSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@H](C)[NH2+]CCN1CCCC(C)(C)C1 ZINC000446838031 388040846 /nfs/dbraw/zinc/04/08/46/388040846.db2.gz DFXRVRJIAMJHLR-AWEZNQCLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]CCN1CCCC(C)(C)C1 ZINC000446838032 388039971 /nfs/dbraw/zinc/03/99/71/388039971.db2.gz DFXRVRJIAMJHLR-CQSZACIVSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000449094095 388141464 /nfs/dbraw/zinc/14/14/64/388141464.db2.gz ZPOOYOYPEIIFDN-CABCVRRESA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000449094096 388141494 /nfs/dbraw/zinc/14/14/94/388141494.db2.gz ZPOOYOYPEIIFDN-GJZGRUSLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000449094097 388141606 /nfs/dbraw/zinc/14/16/06/388141606.db2.gz ZPOOYOYPEIIFDN-HUUCEWRRSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000449094098 388141582 /nfs/dbraw/zinc/14/15/82/388141582.db2.gz ZPOOYOYPEIIFDN-LSDHHAIUSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000449132242 201816549 /nfs/dbraw/zinc/81/65/49/201816549.db2.gz SYACVLQZSQIFPW-AWEZNQCLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000449132243 388146968 /nfs/dbraw/zinc/14/69/68/388146968.db2.gz SYACVLQZSQIFPW-CQSZACIVSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000449221000 388159364 /nfs/dbraw/zinc/15/93/64/388159364.db2.gz RTXBWDLNDOYXNX-HNNXBMFYSA-N 2 0 238.419 3.197 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000449221001 388159209 /nfs/dbraw/zinc/15/92/09/388159209.db2.gz RTXBWDLNDOYXNX-OAHLLOKOSA-N 2 0 238.419 3.197 20 30 BGEDRP C=CC(C)(C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449485710 385203303 /nfs/dbraw/zinc/20/33/03/385203303.db2.gz OFBVYHUYJTVLBN-UHFFFAOYSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453416608 388078601 /nfs/dbraw/zinc/07/86/01/388078601.db2.gz XSTZEOGWOIAJCH-KBPBESRZSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453417499 388078587 /nfs/dbraw/zinc/07/85/87/388078587.db2.gz XSTZEOGWOIAJCH-KGLIPLIRSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453417501 388077609 /nfs/dbraw/zinc/07/76/09/388077609.db2.gz XSTZEOGWOIAJCH-UONOGXRCSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453417503 388076630 /nfs/dbraw/zinc/07/66/30/388076630.db2.gz XSTZEOGWOIAJCH-ZIAGYGMSSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459781732 203368191 /nfs/dbraw/zinc/36/81/91/203368191.db2.gz MHPRERZUAVUTTN-CABCVRRESA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459781733 203367347 /nfs/dbraw/zinc/36/73/47/203367347.db2.gz MHPRERZUAVUTTN-GJZGRUSLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459781734 203367876 /nfs/dbraw/zinc/36/78/76/203367876.db2.gz MHPRERZUAVUTTN-HUUCEWRRSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459781735 203368814 /nfs/dbraw/zinc/36/88/14/203368814.db2.gz MHPRERZUAVUTTN-LSDHHAIUSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000462102816 398008260 /nfs/dbraw/zinc/00/82/60/398008260.db2.gz DLSXSXLIWRSDLX-ILXRZTDVSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000462102817 398008001 /nfs/dbraw/zinc/00/80/01/398008001.db2.gz DLSXSXLIWRSDLX-KKUMJFAQSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000462102818 398007807 /nfs/dbraw/zinc/00/78/07/398007807.db2.gz DLSXSXLIWRSDLX-QLFBSQMISA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000462102819 398007945 /nfs/dbraw/zinc/00/79/45/398007945.db2.gz DLSXSXLIWRSDLX-SOUVJXGZSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000471596121 527168214 /nfs/dbraw/zinc/16/82/14/527168214.db2.gz XCQLLYVXSJIRJB-UHFFFAOYSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000486785910 527132028 /nfs/dbraw/zinc/13/20/28/527132028.db2.gz AGOGLDKYTYHOED-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=C(C)C[NH+](CC)CCC[N@@H+](CC)CC(=C)C ZINC000488608481 388190831 /nfs/dbraw/zinc/19/08/31/388190831.db2.gz FIPSBAFXJSFRLL-UHFFFAOYSA-N 2 0 238.419 3.173 20 30 BGEDRP C=CCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000522776924 350011733 /nfs/dbraw/zinc/01/17/33/350011733.db2.gz HHOZAGHFAZVIQE-UHFFFAOYSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CC(C)(C)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000527923808 387790872 /nfs/dbraw/zinc/79/08/72/387790872.db2.gz GRBFNIXGZYCEDQ-UHFFFAOYSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC(C)(C)CC[NH2+]C1CC[NH+](CCC)CC1 ZINC000527929916 387794546 /nfs/dbraw/zinc/79/45/46/387794546.db2.gz XYYHLAANDQUYEX-UHFFFAOYSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530211613 323211690 /nfs/dbraw/zinc/21/16/90/323211690.db2.gz NBADATLPZKZOEY-CABCVRRESA-N 2 0 244.382 3.323 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530211615 323211744 /nfs/dbraw/zinc/21/17/44/323211744.db2.gz NBADATLPZKZOEY-GJZGRUSLSA-N 2 0 244.382 3.323 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530211620 323211378 /nfs/dbraw/zinc/21/13/78/323211378.db2.gz NBADATLPZKZOEY-HUUCEWRRSA-N 2 0 244.382 3.323 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530211621 323211467 /nfs/dbraw/zinc/21/14/67/323211467.db2.gz NBADATLPZKZOEY-LSDHHAIUSA-N 2 0 244.382 3.323 20 30 BGEDRP C=C1CC[NH+](CCCC[NH+]2CCC(=C)CC2)CC1 ZINC000535724095 323189269 /nfs/dbraw/zinc/18/92/69/323189269.db2.gz IARUXXBBIHQGGJ-UHFFFAOYSA-N 2 0 248.414 3.071 20 30 BGEDRP C=C(CC)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536893670 388079424 /nfs/dbraw/zinc/07/94/24/388079424.db2.gz MYWRIRUSMFPUPX-UHFFFAOYSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000539249984 388751785 /nfs/dbraw/zinc/75/17/85/388751785.db2.gz ZIJGZRYBKJGTPL-CABCVRRESA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000539249985 388751495 /nfs/dbraw/zinc/75/14/95/388751495.db2.gz ZIJGZRYBKJGTPL-HUUCEWRRSA-N 2 0 238.419 3.005 20 30 BGEDRP C=C(C)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560466374 384153381 /nfs/dbraw/zinc/15/33/81/384153381.db2.gz RPFPVBCXAZIKBV-UHFFFAOYSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000567894517 323097525 /nfs/dbraw/zinc/09/75/25/323097525.db2.gz ABKSOCVZRAGTIE-INIZCTEOSA-N 2 0 246.398 3.370 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000567894518 323097524 /nfs/dbraw/zinc/09/75/24/323097524.db2.gz ABKSOCVZRAGTIE-MRXNPFEDSA-N 2 0 246.398 3.370 20 30 BGEDRP C=CCCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000568182853 326322305 /nfs/dbraw/zinc/32/23/05/326322305.db2.gz SFQXULDKBDXWDE-CABCVRRESA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000568182857 326322124 /nfs/dbraw/zinc/32/21/24/326322124.db2.gz SFQXULDKBDXWDE-GJZGRUSLSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000568182859 326322227 /nfs/dbraw/zinc/32/22/27/326322227.db2.gz SFQXULDKBDXWDE-HUUCEWRRSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000568182860 326322083 /nfs/dbraw/zinc/32/20/83/326322083.db2.gz SFQXULDKBDXWDE-LSDHHAIUSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000569070440 326388583 /nfs/dbraw/zinc/38/85/83/326388583.db2.gz ITMWCYGGKSEIKI-CABCVRRESA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000569070441 326388465 /nfs/dbraw/zinc/38/84/65/326388465.db2.gz ITMWCYGGKSEIKI-GJZGRUSLSA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000569070442 326388556 /nfs/dbraw/zinc/38/85/56/326388556.db2.gz ITMWCYGGKSEIKI-HUUCEWRRSA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000569070443 326388422 /nfs/dbraw/zinc/38/84/22/326388422.db2.gz ITMWCYGGKSEIKI-LSDHHAIUSA-N 2 0 238.419 3.147 20 30 BGEDRP C=CCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000569824403 323041627 /nfs/dbraw/zinc/04/16/27/323041627.db2.gz HTAKRKBAMYCGEF-QLFBSQMISA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000569824404 323041595 /nfs/dbraw/zinc/04/15/95/323041595.db2.gz HTAKRKBAMYCGEF-RBSFLKMASA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000569824406 323041526 /nfs/dbraw/zinc/04/15/26/323041526.db2.gz HTAKRKBAMYCGEF-RRFJBIMHSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000569824407 323041556 /nfs/dbraw/zinc/04/15/56/323041556.db2.gz HTAKRKBAMYCGEF-SOUVJXGZSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000571511074 323146362 /nfs/dbraw/zinc/14/63/62/323146362.db2.gz QWDNJLXLAUUKPH-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CN(C)CCCC ZINC000573041494 388411630 /nfs/dbraw/zinc/41/16/30/388411630.db2.gz QDRNMBQNWVORQF-ILXRZTDVSA-N 2 0 240.435 3.297 20 30 BGEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CN(C)CCCC ZINC000573041495 388411147 /nfs/dbraw/zinc/41/11/47/388411147.db2.gz QDRNMBQNWVORQF-KKUMJFAQSA-N 2 0 240.435 3.297 20 30 BGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CN(C)CCCC ZINC000573041496 388411279 /nfs/dbraw/zinc/41/12/79/388411279.db2.gz QDRNMBQNWVORQF-QLFBSQMISA-N 2 0 240.435 3.297 20 30 BGEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CN(C)CCCC ZINC000573041497 388411212 /nfs/dbraw/zinc/41/12/12/388411212.db2.gz QDRNMBQNWVORQF-SOUVJXGZSA-N 2 0 240.435 3.297 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000573653508 364883487 /nfs/dbraw/zinc/88/34/87/364883487.db2.gz VIZVHPBMUVXGHC-CABCVRRESA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000573653509 364883702 /nfs/dbraw/zinc/88/37/02/364883702.db2.gz VIZVHPBMUVXGHC-GJZGRUSLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000573653510 364883124 /nfs/dbraw/zinc/88/31/24/364883124.db2.gz VIZVHPBMUVXGHC-HUUCEWRRSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000573653511 364881896 /nfs/dbraw/zinc/88/18/96/364881896.db2.gz VIZVHPBMUVXGHC-LSDHHAIUSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000576671155 365654049 /nfs/dbraw/zinc/65/40/49/365654049.db2.gz ZCQNXZKQFKAYPV-CABCVRRESA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000576671167 365653883 /nfs/dbraw/zinc/65/38/83/365653883.db2.gz ZCQNXZKQFKAYPV-GJZGRUSLSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000576671170 365653775 /nfs/dbraw/zinc/65/37/75/365653775.db2.gz ZCQNXZKQFKAYPV-HUUCEWRRSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000576671172 365654019 /nfs/dbraw/zinc/65/40/19/365654019.db2.gz ZCQNXZKQFKAYPV-LSDHHAIUSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000577033850 365778137 /nfs/dbraw/zinc/77/81/37/365778137.db2.gz JQVDOEAGKUQLTQ-HNNXBMFYSA-N 2 0 238.419 3.149 20 30 BGEDRP C=CCCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000577033851 365777984 /nfs/dbraw/zinc/77/79/84/365777984.db2.gz JQVDOEAGKUQLTQ-OAHLLOKOSA-N 2 0 238.419 3.149 20 30 BGEDRP C=CCCCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000577191766 365870235 /nfs/dbraw/zinc/87/02/35/365870235.db2.gz WDNGNFYMKDXLDQ-CVEARBPZSA-N 2 0 244.382 3.467 20 30 BGEDRP C=CCCCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000577191767 365870316 /nfs/dbraw/zinc/87/03/16/365870316.db2.gz WDNGNFYMKDXLDQ-HOTGVXAUSA-N 2 0 244.382 3.467 20 30 BGEDRP C=CCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000577191768 365870773 /nfs/dbraw/zinc/87/07/73/365870773.db2.gz WDNGNFYMKDXLDQ-HZPDHXFCSA-N 2 0 244.382 3.467 20 30 BGEDRP C=CCCCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000577191769 365870486 /nfs/dbraw/zinc/87/04/86/365870486.db2.gz WDNGNFYMKDXLDQ-JKSUJKDBSA-N 2 0 244.382 3.467 20 30 BGEDRP C=CCCCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000584510550 358012114 /nfs/dbraw/zinc/01/21/14/358012114.db2.gz OQZLQHLNIIULEC-HNNXBMFYSA-N 2 0 238.419 3.006 20 30 BGEDRP C=CCCCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000584510551 358012309 /nfs/dbraw/zinc/01/23/09/358012309.db2.gz OQZLQHLNIIULEC-OAHLLOKOSA-N 2 0 238.419 3.006 20 30 BGEDRP C=C(C)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999385 346761071 /nfs/dbraw/zinc/76/10/71/346761071.db2.gz DWLKBPQPUCOLSD-UHFFFAOYSA-N 2 0 246.398 3.146 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623485344 362909908 /nfs/dbraw/zinc/90/99/08/362909908.db2.gz WATCMLXPKNHCBY-KBPBESRZSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623485345 362910534 /nfs/dbraw/zinc/91/05/34/362910534.db2.gz WATCMLXPKNHCBY-KGLIPLIRSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623485346 362909799 /nfs/dbraw/zinc/90/97/99/362909799.db2.gz WATCMLXPKNHCBY-UONOGXRCSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623485347 362910390 /nfs/dbraw/zinc/91/03/90/362910390.db2.gz WATCMLXPKNHCBY-ZIAGYGMSSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCCCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560660 362984901 /nfs/dbraw/zinc/98/49/01/362984901.db2.gz NWULTJSZUORBOV-AWEZNQCLSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560661 362985231 /nfs/dbraw/zinc/98/52/31/362985231.db2.gz NWULTJSZUORBOV-CQSZACIVSA-N 2 0 238.419 3.195 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623593159 363029584 /nfs/dbraw/zinc/02/95/84/363029584.db2.gz WJOZUBSDWGCILQ-CYBMUJFWSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623593160 363029297 /nfs/dbraw/zinc/02/92/97/363029297.db2.gz WJOZUBSDWGCILQ-ZDUSSCGKSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062508 344708259 /nfs/dbraw/zinc/70/82/59/344708259.db2.gz VELIJFCOEOEIHA-UHFFFAOYSA-N 2 0 246.398 3.146 20 30 BGEDRP C=CC[C@H]1CC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000628406644 357202390 /nfs/dbraw/zinc/20/23/90/357202390.db2.gz NNDCSHAQMQCNRY-INIZCTEOSA-N 2 0 244.382 3.221 20 30 BGEDRP C=CC[C@@H]1CC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000628406645 357202303 /nfs/dbraw/zinc/20/23/03/357202303.db2.gz NNDCSHAQMQCNRY-MRXNPFEDSA-N 2 0 244.382 3.221 20 30 BGEDRP C=CCCC(C)(C)C[NH2+]C1CC[NH+](CC)CC1 ZINC000631680956 372505407 /nfs/dbraw/zinc/50/54/07/372505407.db2.gz SQBMEVKNGOCVPG-UHFFFAOYSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003877 345207028 /nfs/dbraw/zinc/20/70/28/345207028.db2.gz CEQJIAPOYWQTSV-KKUMJFAQSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003879 345206960 /nfs/dbraw/zinc/20/69/60/345206960.db2.gz CEQJIAPOYWQTSV-RBSFLKMASA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007690 345215250 /nfs/dbraw/zinc/21/52/50/345215250.db2.gz XEVUVHGUSLTVHZ-KKUMJFAQSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007691 345215416 /nfs/dbraw/zinc/21/54/16/345215416.db2.gz XEVUVHGUSLTVHZ-RBSFLKMASA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@H](CC)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012678 345214146 /nfs/dbraw/zinc/21/41/46/345214146.db2.gz VGJQQSCTFGQYDB-KBPBESRZSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012691 345214639 /nfs/dbraw/zinc/21/46/39/345214639.db2.gz VGJQQSCTFGQYDB-KGLIPLIRSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012692 345215119 /nfs/dbraw/zinc/21/51/19/345215119.db2.gz VGJQQSCTFGQYDB-UONOGXRCSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012693 345215043 /nfs/dbraw/zinc/21/50/43/345215043.db2.gz VGJQQSCTFGQYDB-ZIAGYGMSSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000635023818 345224511 /nfs/dbraw/zinc/22/45/11/345224511.db2.gz SNFXLOZTMHNGLH-KBPBESRZSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CCCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000635023819 345224665 /nfs/dbraw/zinc/22/46/65/345224665.db2.gz SNFXLOZTMHNGLH-KGLIPLIRSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000635023820 345224491 /nfs/dbraw/zinc/22/44/91/345224491.db2.gz SNFXLOZTMHNGLH-UONOGXRCSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000635023822 345224878 /nfs/dbraw/zinc/22/48/78/345224878.db2.gz SNFXLOZTMHNGLH-ZIAGYGMSSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CCCC(C)(C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635023867 345224762 /nfs/dbraw/zinc/22/47/62/345224762.db2.gz SZNHHEODAFXIMR-UHFFFAOYSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CCCC(C)(C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000635024496 345225368 /nfs/dbraw/zinc/22/53/68/345225368.db2.gz YZLBOQYGUGGUAE-CYBMUJFWSA-N 2 0 226.408 3.086 20 30 BGEDRP C=CCCC(C)(C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000635024497 345225171 /nfs/dbraw/zinc/22/51/71/345225171.db2.gz YZLBOQYGUGGUAE-ZDUSSCGKSA-N 2 0 226.408 3.086 20 30 BGEDRP C=CCCCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640016327 358067519 /nfs/dbraw/zinc/06/75/19/358067519.db2.gz YRABHCPRWOJQQI-UHFFFAOYSA-N 2 0 238.419 3.149 20 30 BGEDRP C=CCCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530612 361301405 /nfs/dbraw/zinc/30/14/05/361301405.db2.gz DZUKZSRZCATZOU-UHFFFAOYSA-N 2 0 238.419 3.151 20 30 BGEDRP C=C(CC)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533103 361301779 /nfs/dbraw/zinc/30/17/79/361301779.db2.gz MMWUHKNQXYMFPG-UHFFFAOYSA-N 2 0 238.419 3.151 20 30 BGEDRP C=C(C)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533207 361302378 /nfs/dbraw/zinc/30/23/78/361302378.db2.gz PCKZTCDPFUABCJ-UHFFFAOYSA-N 2 0 238.419 3.151 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647802475 385834748 /nfs/dbraw/zinc/83/47/48/385834748.db2.gz NSSGKFXYGLZMTG-AWEZNQCLSA-N 2 0 246.398 3.370 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647802476 385835661 /nfs/dbraw/zinc/83/56/61/385835661.db2.gz NSSGKFXYGLZMTG-CQSZACIVSA-N 2 0 246.398 3.370 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000648499188 387475741 /nfs/dbraw/zinc/47/57/41/387475741.db2.gz MIGPAZYEKAYARX-CABCVRRESA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000648499189 387474079 /nfs/dbraw/zinc/47/40/79/387474079.db2.gz MIGPAZYEKAYARX-GJZGRUSLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000648499190 387474759 /nfs/dbraw/zinc/47/47/59/387474759.db2.gz MIGPAZYEKAYARX-HUUCEWRRSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000648499191 387475158 /nfs/dbraw/zinc/47/51/58/387475158.db2.gz MIGPAZYEKAYARX-LSDHHAIUSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccco1 ZINC000650746608 410384808 /nfs/dbraw/zinc/38/48/08/410384808.db2.gz GDOOLQKCSMXTEI-CYBMUJFWSA-N 2 0 248.370 3.006 20 30 BGEDRP C=CCC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccco1 ZINC000650746609 410385800 /nfs/dbraw/zinc/38/58/00/410385800.db2.gz GDOOLQKCSMXTEI-ZDUSSCGKSA-N 2 0 248.370 3.006 20 30 BGEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650757812 410405380 /nfs/dbraw/zinc/40/53/80/410405380.db2.gz BGXRUSPKKXIVQO-KBPBESRZSA-N 2 0 246.398 3.096 20 30 BGEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650757813 410404579 /nfs/dbraw/zinc/40/45/79/410404579.db2.gz BGXRUSPKKXIVQO-KGLIPLIRSA-N 2 0 246.398 3.096 20 30 BGEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650757814 410405092 /nfs/dbraw/zinc/40/50/92/410405092.db2.gz BGXRUSPKKXIVQO-UONOGXRCSA-N 2 0 246.398 3.096 20 30 BGEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650757815 410405388 /nfs/dbraw/zinc/40/53/88/410405388.db2.gz BGXRUSPKKXIVQO-ZIAGYGMSSA-N 2 0 246.398 3.096 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650758397 410404000 /nfs/dbraw/zinc/40/40/00/410404000.db2.gz OMNCKJAUDWJONX-INIZCTEOSA-N 2 0 246.398 3.240 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650758398 410404410 /nfs/dbraw/zinc/40/44/10/410404410.db2.gz OMNCKJAUDWJONX-MRXNPFEDSA-N 2 0 246.398 3.240 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761969 410410072 /nfs/dbraw/zinc/41/00/72/410410072.db2.gz OPTUUYLJCZUTEQ-AWEZNQCLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761970 410408791 /nfs/dbraw/zinc/40/87/91/410408791.db2.gz OPTUUYLJCZUTEQ-CQSZACIVSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764214 410415318 /nfs/dbraw/zinc/41/53/18/410415318.db2.gz SVXUIDIUBOLVLD-HNNXBMFYSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764215 410414490 /nfs/dbraw/zinc/41/44/90/410414490.db2.gz SVXUIDIUBOLVLD-OAHLLOKOSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000651672726 411134901 /nfs/dbraw/zinc/13/49/01/411134901.db2.gz KDRPWAJHISSXKJ-CABCVRRESA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000651672727 411134896 /nfs/dbraw/zinc/13/48/96/411134896.db2.gz KDRPWAJHISSXKJ-GJZGRUSLSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000651672728 411134832 /nfs/dbraw/zinc/13/48/32/411134832.db2.gz KDRPWAJHISSXKJ-HUUCEWRRSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000651672729 411134877 /nfs/dbraw/zinc/13/48/77/411134877.db2.gz KDRPWAJHISSXKJ-LSDHHAIUSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCC[NH+](CC)CC)C1 ZINC000651750165 411140883 /nfs/dbraw/zinc/14/08/83/411140883.db2.gz YVWUZMREHIKMBR-CABCVRRESA-N 2 0 238.419 3.053 20 30 BGEDRP C=CC[C@H]1CC[C@H]([NH2+]CCC[NH+](CC)CC)C1 ZINC000651750166 411140970 /nfs/dbraw/zinc/14/09/70/411140970.db2.gz YVWUZMREHIKMBR-GJZGRUSLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+](CC)CC)C1 ZINC000651750167 411140980 /nfs/dbraw/zinc/14/09/80/411140980.db2.gz YVWUZMREHIKMBR-HUUCEWRRSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCC[NH+](CC)CC)C1 ZINC000651750168 411141000 /nfs/dbraw/zinc/14/10/00/411141000.db2.gz YVWUZMREHIKMBR-LSDHHAIUSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803872 411518588 /nfs/dbraw/zinc/51/85/88/411518588.db2.gz GSTAMZRMRNMHGI-KFWWJZLASA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803873 411518363 /nfs/dbraw/zinc/51/83/63/411518363.db2.gz GSTAMZRMRNMHGI-SOUVJXGZSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806434 411520333 /nfs/dbraw/zinc/52/03/33/411520333.db2.gz VOIISXOTVPKHLK-KFWWJZLASA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806435 411520368 /nfs/dbraw/zinc/52/03/68/411520368.db2.gz VOIISXOTVPKHLK-SOUVJXGZSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000657859905 488152734 /nfs/dbraw/zinc/15/27/34/488152734.db2.gz YUNQNARTGOWZMM-CABCVRRESA-N 2 0 238.419 3.053 20 30 BGEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000657859906 488152951 /nfs/dbraw/zinc/15/29/51/488152951.db2.gz YUNQNARTGOWZMM-GJZGRUSLSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000657859907 488152813 /nfs/dbraw/zinc/15/28/13/488152813.db2.gz YUNQNARTGOWZMM-HUUCEWRRSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000657859908 488152957 /nfs/dbraw/zinc/15/29/57/488152957.db2.gz YUNQNARTGOWZMM-LSDHHAIUSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CC[N@@H+](CCC[NH+](CC)CC)C(C)(C)C ZINC000661757008 411869879 /nfs/dbraw/zinc/86/98/79/411869879.db2.gz BDOKNYMTWLLEGU-UHFFFAOYSA-N 2 0 226.408 3.005 20 30 BGEDRP C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCCC[N@H+]1C ZINC000662081725 411357731 /nfs/dbraw/zinc/35/77/31/411357731.db2.gz XNUBUXJMPVYRQZ-HRCADAONSA-N 2 0 248.414 3.044 20 30 BGEDRP C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCCC[N@H+]1C ZINC000662081727 411357935 /nfs/dbraw/zinc/35/79/35/411357935.db2.gz XNUBUXJMPVYRQZ-OAGGEKHMSA-N 2 0 248.414 3.044 20 30 BGEDRP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCCC1 ZINC000662091552 411360830 /nfs/dbraw/zinc/36/08/30/411360830.db2.gz ZSPDRAFTJKEHGJ-IYBDPMFKSA-N 2 0 248.414 3.045 20 30 BGEDRP C=CCCCC[NH2+]C(C)(C)CN(C)CCC ZINC000662181178 412021651 /nfs/dbraw/zinc/02/16/51/412021651.db2.gz XMTFYGXABBYXOH-UHFFFAOYSA-N 2 0 226.408 3.053 20 30 BGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000665230771 410723887 /nfs/dbraw/zinc/72/38/87/410723887.db2.gz VSUPZNNQKKZOOD-KFWWJZLASA-N 2 0 238.419 3.228 20 30 BGEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000665230772 410724399 /nfs/dbraw/zinc/72/43/99/410724399.db2.gz VSUPZNNQKKZOOD-RBSFLKMASA-N 2 0 238.419 3.228 20 30 BGEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000665230773 410723409 /nfs/dbraw/zinc/72/34/09/410723409.db2.gz VSUPZNNQKKZOOD-RRFJBIMHSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000665230774 410724769 /nfs/dbraw/zinc/72/47/69/410724769.db2.gz VSUPZNNQKKZOOD-ZNMIVQPWSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000665236172 412176966 /nfs/dbraw/zinc/17/69/66/412176966.db2.gz ITNPMAAWVXXSJB-KBPBESRZSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000665236173 412177244 /nfs/dbraw/zinc/17/72/44/412177244.db2.gz ITNPMAAWVXXSJB-KGLIPLIRSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000665236174 412177325 /nfs/dbraw/zinc/17/73/25/412177325.db2.gz ITNPMAAWVXXSJB-UONOGXRCSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000665236176 412163644 /nfs/dbraw/zinc/16/36/44/412163644.db2.gz ITNPMAAWVXXSJB-ZIAGYGMSSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280997 412226832 /nfs/dbraw/zinc/22/68/32/412226832.db2.gz RFQCVAAOXZHVCQ-UONOGXRCSA-N 2 0 226.408 3.084 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280998 412226251 /nfs/dbraw/zinc/22/62/51/412226251.db2.gz RFQCVAAOXZHVCQ-ZIAGYGMSSA-N 2 0 226.408 3.084 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281539 487689033 /nfs/dbraw/zinc/68/90/33/487689033.db2.gz FWAUMOSJXZXCCM-UONOGXRCSA-N 2 0 226.408 3.084 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281540 487688917 /nfs/dbraw/zinc/68/89/17/487688917.db2.gz FWAUMOSJXZXCCM-ZIAGYGMSSA-N 2 0 226.408 3.084 20 30 BGEDRP C=CC[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000703702271 712084111 /nfs/dbraw/zinc/08/41/11/712084111.db2.gz WCVWHSHZLWCJOE-HNNXBMFYSA-N 2 0 238.419 3.184 20 30 BGEDRP C=CC[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000703702272 712084482 /nfs/dbraw/zinc/08/44/82/712084482.db2.gz WCVWHSHZLWCJOE-OAHLLOKOSA-N 2 0 238.419 3.184 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000703729143 712086067 /nfs/dbraw/zinc/08/60/67/712086067.db2.gz ZMFUWJSFZIAISO-KBPBESRZSA-N 2 0 226.408 3.064 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000703729144 712086002 /nfs/dbraw/zinc/08/60/02/712086002.db2.gz ZMFUWJSFZIAISO-KGLIPLIRSA-N 2 0 226.408 3.064 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000703729145 712086230 /nfs/dbraw/zinc/08/62/30/712086230.db2.gz ZMFUWJSFZIAISO-UONOGXRCSA-N 2 0 226.408 3.064 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000703729146 712085646 /nfs/dbraw/zinc/08/56/46/712085646.db2.gz ZMFUWJSFZIAISO-ZIAGYGMSSA-N 2 0 226.408 3.064 20 30 BGEDRP CCCCCCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000704563853 712112038 /nfs/dbraw/zinc/11/20/38/712112038.db2.gz ATUJSYGFPDEVEO-UHFFFAOYSA-N 2 0 226.408 3.160 20 30 BGEDRP CCCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709504992 712223324 /nfs/dbraw/zinc/22/33/24/712223324.db2.gz SCWIJLXUXAGHIU-YIONKMFJSA-N 2 0 238.419 3.220 20 30 BGEDRP CCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709808536 712228279 /nfs/dbraw/zinc/22/82/79/712228279.db2.gz MTBBPSWRQGVCDG-HNNXBMFYSA-N 2 0 238.419 3.032 20 30 BGEDRP CCCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709808538 712228252 /nfs/dbraw/zinc/22/82/52/712228252.db2.gz MTBBPSWRQGVCDG-OAHLLOKOSA-N 2 0 238.419 3.032 20 30 BGEDRP C=CCC[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715513555 712525104 /nfs/dbraw/zinc/52/51/04/712525104.db2.gz RBDPZSADKOAAFQ-NFOMZHRRSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CCC[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715513558 712525035 /nfs/dbraw/zinc/52/50/35/712525035.db2.gz RBDPZSADKOAAFQ-WLYUNCDWSA-N 2 0 238.419 3.194 20 30 BGEDRP C=CC[NH+](CCC[N@H+](CC=C)C(C)C)C(C)C ZINC000740875313 644561691 /nfs/dbraw/zinc/56/16/91/644561691.db2.gz SBBIUIJJZJSJRG-UHFFFAOYSA-N 2 0 238.419 3.169 20 30 BGEDRP CCCCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000740876865 644560706 /nfs/dbraw/zinc/56/07/06/644560706.db2.gz KOWSOXXAPPTQDV-UHFFFAOYSA-N 2 0 240.435 3.230 20 30 BGEDRP CCCCCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759978870 585383693 /nfs/dbraw/zinc/38/36/93/585383693.db2.gz XSWUGRSXUQDJQH-HNNXBMFYSA-N 2 0 240.435 3.373 20 30 BGEDRP CCCCCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759978876 585383762 /nfs/dbraw/zinc/38/37/62/585383762.db2.gz XSWUGRSXUQDJQH-OAHLLOKOSA-N 2 0 240.435 3.373 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000776746822 585703766 /nfs/dbraw/zinc/70/37/66/585703766.db2.gz HCMVRGDCPHMZHY-DZGCQCFKSA-N 2 0 238.419 3.029 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000776746823 585703700 /nfs/dbraw/zinc/70/37/00/585703700.db2.gz HCMVRGDCPHMZHY-HIFRSBDPSA-N 2 0 238.419 3.029 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000776746824 585703955 /nfs/dbraw/zinc/70/39/55/585703955.db2.gz HCMVRGDCPHMZHY-UKRRQHHQSA-N 2 0 238.419 3.029 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000776746825 585703891 /nfs/dbraw/zinc/70/38/91/585703891.db2.gz HCMVRGDCPHMZHY-ZFWWWQNUSA-N 2 0 238.419 3.029 20 30 BGEDRP C=CCCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000785695417 585878620 /nfs/dbraw/zinc/87/86/20/585878620.db2.gz YWMVMQYMHCRECM-UHFFFAOYSA-N 2 0 238.419 3.006 20 30 BGEDRP CCCCCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817879612 586832422 /nfs/dbraw/zinc/83/24/22/586832422.db2.gz DFKYUBDEGXGIQA-UHFFFAOYSA-N 2 0 238.419 3.175 20 30 BGEDRP CCCCCCC[C@H](C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817891736 586833376 /nfs/dbraw/zinc/83/33/76/586833376.db2.gz FVSQNJZRCSXVMY-KBPBESRZSA-N 2 0 240.435 3.181 20 30 BGEDRP CCCCCCC[C@@H](C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817891737 586833159 /nfs/dbraw/zinc/83/31/59/586833159.db2.gz FVSQNJZRCSXVMY-KGLIPLIRSA-N 2 0 240.435 3.181 20 30 BGEDRP CCCCCCC[C@H](C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817891738 586833114 /nfs/dbraw/zinc/83/31/14/586833114.db2.gz FVSQNJZRCSXVMY-UONOGXRCSA-N 2 0 240.435 3.181 20 30 BGEDRP CCCCCCC[C@@H](C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817891739 586831550 /nfs/dbraw/zinc/83/15/50/586831550.db2.gz FVSQNJZRCSXVMY-ZIAGYGMSSA-N 2 0 240.435 3.181 20 30 BGEDRP CCCCCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817897061 586834893 /nfs/dbraw/zinc/83/48/93/586834893.db2.gz CTEUOKTYGDJNIV-KBPBESRZSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817897062 586834548 /nfs/dbraw/zinc/83/45/48/586834548.db2.gz CTEUOKTYGDJNIV-KGLIPLIRSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817897063 586835351 /nfs/dbraw/zinc/83/53/51/586835351.db2.gz CTEUOKTYGDJNIV-UONOGXRCSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817897064 586835058 /nfs/dbraw/zinc/83/50/58/586835058.db2.gz CTEUOKTYGDJNIV-ZIAGYGMSSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000817897239 586835532 /nfs/dbraw/zinc/83/55/32/586835532.db2.gz ICQCNTXOPCETDX-HNNXBMFYSA-N 2 0 240.435 3.469 20 30 BGEDRP CCCCCCCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817897240 586835316 /nfs/dbraw/zinc/83/53/16/586835316.db2.gz ICQCNTXOPCETDX-OAHLLOKOSA-N 2 0 240.435 3.469 20 30 BGEDRP CCCCCCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817911656 586838081 /nfs/dbraw/zinc/83/80/81/586838081.db2.gz BWFXLAYPOYUHDD-CABCVRRESA-N 2 0 240.435 3.325 20 30 BGEDRP CCCCCCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817911658 586838606 /nfs/dbraw/zinc/83/86/06/586838606.db2.gz BWFXLAYPOYUHDD-GJZGRUSLSA-N 2 0 240.435 3.325 20 30 BGEDRP CCCCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817911660 586838148 /nfs/dbraw/zinc/83/81/48/586838148.db2.gz BWFXLAYPOYUHDD-HUUCEWRRSA-N 2 0 240.435 3.325 20 30 BGEDRP CCCCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817911661 586838044 /nfs/dbraw/zinc/83/80/44/586838044.db2.gz BWFXLAYPOYUHDD-LSDHHAIUSA-N 2 0 240.435 3.325 20 30 BGEDRP CCCCCCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000817914107 586839356 /nfs/dbraw/zinc/83/93/56/586839356.db2.gz WOFONBZGLPHFEJ-UHFFFAOYSA-N 2 0 240.435 3.454 20 30 BGEDRP CCCCCCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000817914304 586839335 /nfs/dbraw/zinc/83/93/35/586839335.db2.gz YMGDJKIHDKZDTL-CHWSQXEVSA-N 2 0 214.397 3.062 20 30 BGEDRP CCCCCCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000817914305 586839457 /nfs/dbraw/zinc/83/94/57/586839457.db2.gz YMGDJKIHDKZDTL-OLZOCXBDSA-N 2 0 214.397 3.062 20 30 BGEDRP CCCCCCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817914319 586839854 /nfs/dbraw/zinc/83/98/54/586839854.db2.gz YMGDJKIHDKZDTL-QWHCGFSZSA-N 2 0 214.397 3.062 20 30 BGEDRP CCCCCCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817914320 586839253 /nfs/dbraw/zinc/83/92/53/586839253.db2.gz YMGDJKIHDKZDTL-STQMWFEESA-N 2 0 214.397 3.062 20 30 BGEDRP C=CCCCCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817930381 586842241 /nfs/dbraw/zinc/84/22/41/586842241.db2.gz CHYKIQFNABGISR-CABCVRRESA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817930382 586842345 /nfs/dbraw/zinc/84/23/45/586842345.db2.gz CHYKIQFNABGISR-GJZGRUSLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817930383 586842230 /nfs/dbraw/zinc/84/22/30/586842230.db2.gz CHYKIQFNABGISR-HUUCEWRRSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817930384 586842034 /nfs/dbraw/zinc/84/20/34/586842034.db2.gz CHYKIQFNABGISR-LSDHHAIUSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCCCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817930618 586841879 /nfs/dbraw/zinc/84/18/79/586841879.db2.gz DVTAVZPIQXVZEC-CABCVRRESA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817930619 586842052 /nfs/dbraw/zinc/84/20/52/586842052.db2.gz DVTAVZPIQXVZEC-GJZGRUSLSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817930620 586842067 /nfs/dbraw/zinc/84/20/67/586842067.db2.gz DVTAVZPIQXVZEC-HUUCEWRRSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817930621 586842019 /nfs/dbraw/zinc/84/20/19/586842019.db2.gz DVTAVZPIQXVZEC-LSDHHAIUSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000817930663 586842058 /nfs/dbraw/zinc/84/20/58/586842058.db2.gz FLINILKFVVCFDG-CABCVRRESA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCCCCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000817930671 586842330 /nfs/dbraw/zinc/84/23/30/586842330.db2.gz FLINILKFVVCFDG-GJZGRUSLSA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCCCCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000817930674 586842560 /nfs/dbraw/zinc/84/25/60/586842560.db2.gz FLINILKFVVCFDG-HUUCEWRRSA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCCCCCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000817930677 586842415 /nfs/dbraw/zinc/84/24/15/586842415.db2.gz FLINILKFVVCFDG-LSDHHAIUSA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCCCCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000817932114 586843211 /nfs/dbraw/zinc/84/32/11/586843211.db2.gz QGOGHJKTODJZOQ-UHFFFAOYSA-N 2 0 238.419 3.230 20 30 BGEDRP C=CCCCCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000817932557 586843632 /nfs/dbraw/zinc/84/36/32/586843632.db2.gz TWSJBTRXUJJYLX-CABCVRRESA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000817932558 586843217 /nfs/dbraw/zinc/84/32/17/586843217.db2.gz TWSJBTRXUJJYLX-GJZGRUSLSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000817932560 586843235 /nfs/dbraw/zinc/84/32/35/586843235.db2.gz TWSJBTRXUJJYLX-HUUCEWRRSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817932561 586842933 /nfs/dbraw/zinc/84/29/33/586842933.db2.gz TWSJBTRXUJJYLX-LSDHHAIUSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000817941392 586845450 /nfs/dbraw/zinc/84/54/50/586845450.db2.gz PMYXETHNHIMSFF-AWEZNQCLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000817941393 586845408 /nfs/dbraw/zinc/84/54/08/586845408.db2.gz PMYXETHNHIMSFF-CQSZACIVSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000817945475 586846076 /nfs/dbraw/zinc/84/60/76/586846076.db2.gz DLPGPQQRUQJBOF-CABCVRRESA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000817945476 586845938 /nfs/dbraw/zinc/84/59/38/586845938.db2.gz DLPGPQQRUQJBOF-GJZGRUSLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000817945477 586846130 /nfs/dbraw/zinc/84/61/30/586846130.db2.gz DLPGPQQRUQJBOF-HUUCEWRRSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000817945478 586846043 /nfs/dbraw/zinc/84/60/43/586846043.db2.gz DLPGPQQRUQJBOF-LSDHHAIUSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000817947800 586847018 /nfs/dbraw/zinc/84/70/18/586847018.db2.gz RJULVFNQVPBAMI-NFOMZHRRSA-N 2 0 238.419 3.371 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000817947801 586847073 /nfs/dbraw/zinc/84/70/73/586847073.db2.gz RJULVFNQVPBAMI-WLYUNCDWSA-N 2 0 238.419 3.371 20 30 BGEDRP C=CCC[C@H](CC)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949916 586847435 /nfs/dbraw/zinc/84/74/35/586847435.db2.gz UHPYSOJEFGVHCI-INIZCTEOSA-N 2 0 246.398 3.022 20 30 BGEDRP C=CCC[C@@H](CC)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949917 586846909 /nfs/dbraw/zinc/84/69/09/586846909.db2.gz UHPYSOJEFGVHCI-MRXNPFEDSA-N 2 0 246.398 3.022 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000817954880 586847004 /nfs/dbraw/zinc/84/70/04/586847004.db2.gz LPRBTDLYLVENDJ-CABCVRRESA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000817954881 586847068 /nfs/dbraw/zinc/84/70/68/586847068.db2.gz LPRBTDLYLVENDJ-GJZGRUSLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000817954882 586847124 /nfs/dbraw/zinc/84/71/24/586847124.db2.gz LPRBTDLYLVENDJ-HUUCEWRRSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000817954883 586846888 /nfs/dbraw/zinc/84/68/88/586846888.db2.gz LPRBTDLYLVENDJ-LSDHHAIUSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000817959543 586851394 /nfs/dbraw/zinc/85/13/94/586851394.db2.gz SSKFQJQFQDLCFH-KBPBESRZSA-N 2 0 226.408 3.084 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000817959545 586851526 /nfs/dbraw/zinc/85/15/26/586851526.db2.gz SSKFQJQFQDLCFH-KGLIPLIRSA-N 2 0 226.408 3.084 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000817959546 586851340 /nfs/dbraw/zinc/85/13/40/586851340.db2.gz SSKFQJQFQDLCFH-UONOGXRCSA-N 2 0 226.408 3.084 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000817959548 586852016 /nfs/dbraw/zinc/85/20/16/586852016.db2.gz SSKFQJQFQDLCFH-ZIAGYGMSSA-N 2 0 226.408 3.084 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000817968744 586856389 /nfs/dbraw/zinc/85/63/89/586856389.db2.gz WTRHXHJLUASCIQ-AWEZNQCLSA-N 2 0 236.403 3.021 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000817968745 586856763 /nfs/dbraw/zinc/85/67/63/586856763.db2.gz WTRHXHJLUASCIQ-CQSZACIVSA-N 2 0 236.403 3.021 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000817969262 586856855 /nfs/dbraw/zinc/85/68/55/586856855.db2.gz SWERAYLXXUKRBW-CABCVRRESA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000817969263 586855976 /nfs/dbraw/zinc/85/59/76/586855976.db2.gz SWERAYLXXUKRBW-GJZGRUSLSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817969265 586855857 /nfs/dbraw/zinc/85/58/57/586855857.db2.gz SWERAYLXXUKRBW-HUUCEWRRSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817969266 586856492 /nfs/dbraw/zinc/85/64/92/586856492.db2.gz SWERAYLXXUKRBW-LSDHHAIUSA-N 2 0 238.419 3.243 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000817970122 586856084 /nfs/dbraw/zinc/85/60/84/586856084.db2.gz MALAGXPWYRGYKK-KKUMJFAQSA-N 2 0 238.419 3.371 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000817970123 586855851 /nfs/dbraw/zinc/85/58/51/586855851.db2.gz MALAGXPWYRGYKK-RRFJBIMHSA-N 2 0 238.419 3.371 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000817970124 586856180 /nfs/dbraw/zinc/85/61/80/586856180.db2.gz MALAGXPWYRGYKK-SOUVJXGZSA-N 2 0 238.419 3.371 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000817970125 586856600 /nfs/dbraw/zinc/85/66/00/586856600.db2.gz MALAGXPWYRGYKK-ZNMIVQPWSA-N 2 0 238.419 3.371 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000817970393 586857667 /nfs/dbraw/zinc/85/76/67/586857667.db2.gz ULOBUWIHYXWCEE-ILXRZTDVSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000817970394 586857960 /nfs/dbraw/zinc/85/79/60/586857960.db2.gz ULOBUWIHYXWCEE-KKUMJFAQSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000817970395 586857412 /nfs/dbraw/zinc/85/74/12/586857412.db2.gz ULOBUWIHYXWCEE-QLFBSQMISA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000817970396 586857952 /nfs/dbraw/zinc/85/79/52/586857952.db2.gz ULOBUWIHYXWCEE-SOUVJXGZSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000817970907 586857161 /nfs/dbraw/zinc/85/71/61/586857161.db2.gz HFOOZHHCFPGGFS-KKUMJFAQSA-N 2 0 238.419 3.242 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000817970908 586858380 /nfs/dbraw/zinc/85/83/80/586858380.db2.gz HFOOZHHCFPGGFS-RRFJBIMHSA-N 2 0 238.419 3.242 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000817970909 586857922 /nfs/dbraw/zinc/85/79/22/586857922.db2.gz HFOOZHHCFPGGFS-SOUVJXGZSA-N 2 0 238.419 3.242 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000817970910 586857891 /nfs/dbraw/zinc/85/78/91/586857891.db2.gz HFOOZHHCFPGGFS-ZNMIVQPWSA-N 2 0 238.419 3.242 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000817980486 644993748 /nfs/dbraw/zinc/99/37/48/644993748.db2.gz CAXKDWWABOIFNW-KKUMJFAQSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000817980487 644995292 /nfs/dbraw/zinc/99/52/92/644995292.db2.gz CAXKDWWABOIFNW-RRFJBIMHSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000817980488 644994901 /nfs/dbraw/zinc/99/49/01/644994901.db2.gz CAXKDWWABOIFNW-SOUVJXGZSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000817980490 644995502 /nfs/dbraw/zinc/99/55/02/644995502.db2.gz CAXKDWWABOIFNW-ZNMIVQPWSA-N 2 0 238.419 3.228 20 30 BGEDRP CCCCCCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818340187 586887527 /nfs/dbraw/zinc/88/75/27/586887527.db2.gz JMMNJKZKQIRMFH-ZIAGYGMSSA-N 2 0 226.408 3.206 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818614951 586906383 /nfs/dbraw/zinc/90/63/83/586906383.db2.gz JQXRDTLZUVGQNH-RBSFLKMASA-N 2 0 238.419 3.371 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818614952 586906972 /nfs/dbraw/zinc/90/69/72/586906972.db2.gz JQXRDTLZUVGQNH-RRFJBIMHSA-N 2 0 238.419 3.371 20 30 BGEDRP CCCCCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842474897 588028769 /nfs/dbraw/zinc/02/87/69/588028769.db2.gz FKSOSFGMULPSLP-HNNXBMFYSA-N 2 0 238.419 3.032 20 30 BGEDRP CCCCCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842474898 588029401 /nfs/dbraw/zinc/02/94/01/588029401.db2.gz FKSOSFGMULPSLP-OAHLLOKOSA-N 2 0 238.419 3.032 20 30 BGEDRP CCCCCCCC[NH2+][C@H](CN)C(C)(C)C ZINC000842475026 588028958 /nfs/dbraw/zinc/02/89/58/588028958.db2.gz HDHGZHGTHRCBKU-CYBMUJFWSA-N 2 0 228.424 3.310 20 30 BGEDRP CCCCCCCC[NH2+][C@@H](CN)C(C)(C)C ZINC000842475027 588028991 /nfs/dbraw/zinc/02/89/91/588028991.db2.gz HDHGZHGTHRCBKU-ZDUSSCGKSA-N 2 0 228.424 3.310 20 30 BGEDRP CCCCCCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843345368 588102151 /nfs/dbraw/zinc/10/21/51/588102151.db2.gz DAXMSUJFTKDXED-UHFFFAOYSA-N 2 0 238.419 3.173 20 30 BGEDRP CCCCCCC[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000843370517 645286689 /nfs/dbraw/zinc/28/66/89/645286689.db2.gz WOQYUXKKHGQHLX-HNNXBMFYSA-N 2 0 240.435 3.421 20 30 BGEDRP CCCCCCC[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000843370518 645284493 /nfs/dbraw/zinc/28/44/93/645284493.db2.gz WOQYUXKKHGQHLX-OAHLLOKOSA-N 2 0 240.435 3.421 20 30 BGEDRP CCCCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843387701 645285839 /nfs/dbraw/zinc/28/58/39/645285839.db2.gz UAPGYXJTSWSZQB-UHFFFAOYSA-N 2 0 238.419 3.032 20 30 BGEDRP C=CC[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC000846217771 588260532 /nfs/dbraw/zinc/26/05/32/588260532.db2.gz ALOPWWMXOHIXCD-UHFFFAOYSA-N 2 0 246.398 3.194 20 30 BGEDRP C=CCCCCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000848719860 588408335 /nfs/dbraw/zinc/40/83/35/588408335.db2.gz FQMHYOLYEUOBQM-CABCVRRESA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000848719861 588408250 /nfs/dbraw/zinc/40/82/50/588408250.db2.gz FQMHYOLYEUOBQM-GJZGRUSLSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848719862 588406099 /nfs/dbraw/zinc/40/60/99/588406099.db2.gz FQMHYOLYEUOBQM-HUUCEWRRSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000848719863 588406333 /nfs/dbraw/zinc/40/63/33/588406333.db2.gz FQMHYOLYEUOBQM-LSDHHAIUSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000854222410 588780252 /nfs/dbraw/zinc/78/02/52/588780252.db2.gz FPWKBLSVGMIFNI-AWEZNQCLSA-N 2 0 238.419 3.373 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000854222411 588780183 /nfs/dbraw/zinc/78/01/83/588780183.db2.gz FPWKBLSVGMIFNI-CQSZACIVSA-N 2 0 238.419 3.373 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858088416 588931579 /nfs/dbraw/zinc/93/15/79/588931579.db2.gz CWPJVBABSSMZDY-AWEZNQCLSA-N 2 0 240.435 3.419 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858088417 588931601 /nfs/dbraw/zinc/93/16/01/588931601.db2.gz CWPJVBABSSMZDY-CQSZACIVSA-N 2 0 240.435 3.419 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000863539384 589295722 /nfs/dbraw/zinc/29/57/22/589295722.db2.gz AZSFBVZEARUTOR-KBPBESRZSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000863539385 589295705 /nfs/dbraw/zinc/29/57/05/589295705.db2.gz AZSFBVZEARUTOR-KGLIPLIRSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000863539386 589295708 /nfs/dbraw/zinc/29/57/08/589295708.db2.gz AZSFBVZEARUTOR-UONOGXRCSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000863539387 589295798 /nfs/dbraw/zinc/29/57/98/589295798.db2.gz AZSFBVZEARUTOR-ZIAGYGMSSA-N 2 0 226.408 3.206 20 30 BGEDRP CCCCCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000863539731 589296645 /nfs/dbraw/zinc/29/66/45/589296645.db2.gz IPFXGTLQULCLCB-UHFFFAOYSA-N 2 0 226.408 3.064 20 30 BGEDRP C=CC(C)(C)CCC[NH2+]C1CC[NH+](CC)CC1 ZINC000872102106 589870417 /nfs/dbraw/zinc/87/04/17/589870417.db2.gz PCELCDABJOAZOY-UHFFFAOYSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872102651 589871480 /nfs/dbraw/zinc/87/14/80/589871480.db2.gz SAPDEONYZUSEOW-KBPBESRZSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872102652 589870985 /nfs/dbraw/zinc/87/09/85/589870985.db2.gz SAPDEONYZUSEOW-KGLIPLIRSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872102653 589871265 /nfs/dbraw/zinc/87/12/65/589871265.db2.gz SAPDEONYZUSEOW-UONOGXRCSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872102655 589871629 /nfs/dbraw/zinc/87/16/29/589871629.db2.gz SAPDEONYZUSEOW-ZIAGYGMSSA-N 2 0 238.419 3.051 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267802 590015479 /nfs/dbraw/zinc/01/54/79/590015479.db2.gz JXQMWYOUDUAKHH-HIFRSBDPSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267803 590015453 /nfs/dbraw/zinc/01/54/53/590015453.db2.gz JXQMWYOUDUAKHH-UKRRQHHQSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270387 590016254 /nfs/dbraw/zinc/01/62/54/590016254.db2.gz RVNHJRRLFNLIPE-UONOGXRCSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270388 590016470 /nfs/dbraw/zinc/01/64/70/590016470.db2.gz RVNHJRRLFNLIPE-ZIAGYGMSSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@@H](CCC)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271710 590016245 /nfs/dbraw/zinc/01/62/45/590016245.db2.gz JXQMWYOUDUAKHH-DZGCQCFKSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCC[C@H](CCC)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271711 590016198 /nfs/dbraw/zinc/01/61/98/590016198.db2.gz JXQMWYOUDUAKHH-ZFWWWQNUSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCC[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272408 590016331 /nfs/dbraw/zinc/01/63/31/590016331.db2.gz RVNHJRRLFNLIPE-KBPBESRZSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCC[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272409 590016426 /nfs/dbraw/zinc/01/64/26/590016426.db2.gz RVNHJRRLFNLIPE-KGLIPLIRSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000873279856 590017847 /nfs/dbraw/zinc/01/78/47/590017847.db2.gz NBWKUGSWESNPNM-CYBMUJFWSA-N 2 0 226.408 3.086 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000873279857 590017486 /nfs/dbraw/zinc/01/74/86/590017486.db2.gz NBWKUGSWESNPNM-ZDUSSCGKSA-N 2 0 226.408 3.086 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000873281117 590018793 /nfs/dbraw/zinc/01/87/93/590018793.db2.gz XWDYNLBNKYNHSJ-KBPBESRZSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000873281118 590018590 /nfs/dbraw/zinc/01/85/90/590018590.db2.gz XWDYNLBNKYNHSJ-KGLIPLIRSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000873281119 590018808 /nfs/dbraw/zinc/01/88/08/590018808.db2.gz XWDYNLBNKYNHSJ-UONOGXRCSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000873281120 590018856 /nfs/dbraw/zinc/01/88/56/590018856.db2.gz XWDYNLBNKYNHSJ-ZIAGYGMSSA-N 2 0 238.419 3.086 20 30 BGEDRP C=CC[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000877968500 590461297 /nfs/dbraw/zinc/46/12/97/590461297.db2.gz NIHMLZJCWKRSQH-AWEZNQCLSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CC[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000877968501 590460958 /nfs/dbraw/zinc/46/09/58/590460958.db2.gz NIHMLZJCWKRSQH-CQSZACIVSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CC[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000878048667 590481667 /nfs/dbraw/zinc/48/16/67/590481667.db2.gz VEJBUDJNBKYEBW-AWEZNQCLSA-N 2 0 238.419 3.003 20 30 BGEDRP C=CC[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000878048668 590481317 /nfs/dbraw/zinc/48/13/17/590481317.db2.gz VEJBUDJNBKYEBW-CQSZACIVSA-N 2 0 238.419 3.003 20 30 BGEDRP C=CC[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314696 590542148 /nfs/dbraw/zinc/54/21/48/590542148.db2.gz SOCJFSCWXPNDQC-AWEZNQCLSA-N 2 0 246.398 3.145 20 30 BGEDRP C=CC[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314698 590542158 /nfs/dbraw/zinc/54/21/58/590542158.db2.gz SOCJFSCWXPNDQC-CQSZACIVSA-N 2 0 246.398 3.145 20 30 BGEDRP C=CC[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000878328704 590546980 /nfs/dbraw/zinc/54/69/80/590546980.db2.gz NBTBMWZMRQAQRM-AWEZNQCLSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CC[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000878328705 590547207 /nfs/dbraw/zinc/54/72/07/590547207.db2.gz NBTBMWZMRQAQRM-CQSZACIVSA-N 2 0 238.419 3.005 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372630 584566829 /nfs/dbraw/zinc/56/68/29/584566829.db2.gz XMXSSTWPGOZWNB-KBPBESRZSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372631 584566729 /nfs/dbraw/zinc/56/67/29/584566729.db2.gz XMXSSTWPGOZWNB-KGLIPLIRSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372633 584566774 /nfs/dbraw/zinc/56/67/74/584566774.db2.gz XMXSSTWPGOZWNB-UONOGXRCSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372634 584566761 /nfs/dbraw/zinc/56/67/61/584566761.db2.gz XMXSSTWPGOZWNB-ZIAGYGMSSA-N 2 0 238.419 3.099 20 30 BGEDRP C=CCCCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391842 584582774 /nfs/dbraw/zinc/58/27/74/584582774.db2.gz IIAPTFOFTXQIBQ-AWEZNQCLSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391843 584582947 /nfs/dbraw/zinc/58/29/47/584582947.db2.gz IIAPTFOFTXQIBQ-CQSZACIVSA-N 2 0 238.419 3.101 20 30 BGEDRP C=CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903151469 584732087 /nfs/dbraw/zinc/73/20/87/584732087.db2.gz FOITUWOKKVQEME-VHRNVKJDSA-N 2 0 248.414 3.090 20 30 BGEDRP C=CC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903167821 637351311 /nfs/dbraw/zinc/35/13/11/637351311.db2.gz QBNHHCVQBAGYOY-WPXLMEDKSA-N 2 0 248.414 3.089 20 30 BGEDRP C=CC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903167822 637350848 /nfs/dbraw/zinc/35/08/48/637350848.db2.gz QBNHHCVQBAGYOY-WYQXTGKHSA-N 2 0 248.414 3.089 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903734686 584796247 /nfs/dbraw/zinc/79/62/47/584796247.db2.gz UZNAEFUXUDKHIG-HNNXBMFYSA-N 2 0 238.419 3.054 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903734687 584796259 /nfs/dbraw/zinc/79/62/59/584796259.db2.gz UZNAEFUXUDKHIG-OAHLLOKOSA-N 2 0 238.419 3.054 20 30 BGEDRP C=CCCC[N@@H+](CC)CCCC1CC[NH2+]CC1 ZINC000903850406 584807955 /nfs/dbraw/zinc/80/79/55/584807955.db2.gz PTSVZDLBSJVVJL-UHFFFAOYSA-N 2 0 238.419 3.054 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904321649 584864191 /nfs/dbraw/zinc/86/41/91/584864191.db2.gz AWPYZIARPINUAH-HNNXBMFYSA-N 2 0 238.419 3.054 20 30 BGEDRP C=CCCCCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904321650 584864175 /nfs/dbraw/zinc/86/41/75/584864175.db2.gz AWPYZIARPINUAH-OAHLLOKOSA-N 2 0 238.419 3.054 20 30 BGEDRP C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925428684 646280592 /nfs/dbraw/zinc/28/05/92/646280592.db2.gz DSTDXUSEXPWWLJ-KGLIPLIRSA-N 2 0 246.398 3.363 20 30 BGEDRP C=CC[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925428685 646278449 /nfs/dbraw/zinc/27/84/49/646278449.db2.gz DSTDXUSEXPWWLJ-UONOGXRCSA-N 2 0 246.398 3.363 20 30 BGEDRP C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925428686 646277693 /nfs/dbraw/zinc/27/76/93/646277693.db2.gz DSTDXUSEXPWWLJ-ZIAGYGMSSA-N 2 0 246.398 3.363 20 30 BGEDRP C=CC[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925601175 646352591 /nfs/dbraw/zinc/35/25/91/646352591.db2.gz LOGGUEDHUJJJTC-DZGCQCFKSA-N 2 0 232.371 3.021 20 30 BGEDRP C=CC[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925601176 646352963 /nfs/dbraw/zinc/35/29/63/646352963.db2.gz LOGGUEDHUJJJTC-HIFRSBDPSA-N 2 0 232.371 3.021 20 30 BGEDRP C=CC[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925601515 646353328 /nfs/dbraw/zinc/35/33/28/646353328.db2.gz LOGGUEDHUJJJTC-UKRRQHHQSA-N 2 0 232.371 3.021 20 30 BGEDRP C=CC[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925601516 646353601 /nfs/dbraw/zinc/35/36/01/646353601.db2.gz LOGGUEDHUJJJTC-ZFWWWQNUSA-N 2 0 232.371 3.021 20 30 BGEDRP C=CCCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925642257 646385388 /nfs/dbraw/zinc/38/53/88/646385388.db2.gz RYBOZQYEXFOZNZ-INIZCTEOSA-N 2 0 246.398 3.413 20 30 BGEDRP C=CCCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925642258 646384020 /nfs/dbraw/zinc/38/40/20/646384020.db2.gz RYBOZQYEXFOZNZ-MRXNPFEDSA-N 2 0 246.398 3.413 20 30 BGEDRP C=CCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925653474 646392598 /nfs/dbraw/zinc/39/25/98/646392598.db2.gz LXUPQRBVDLOWSW-HNNXBMFYSA-N 2 0 232.371 3.022 20 30 BGEDRP C=CCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925653475 646391089 /nfs/dbraw/zinc/39/10/89/646391089.db2.gz LXUPQRBVDLOWSW-OAHLLOKOSA-N 2 0 232.371 3.022 20 30 BGEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925676748 646405765 /nfs/dbraw/zinc/40/57/65/646405765.db2.gz LGKIWWXWPIXGGB-CHWSQXEVSA-N 2 0 238.419 3.084 20 30 BGEDRP C=CCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925676749 646404721 /nfs/dbraw/zinc/40/47/21/646404721.db2.gz LGKIWWXWPIXGGB-OLZOCXBDSA-N 2 0 238.419 3.084 20 30 BGEDRP C=CCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925676750 646404797 /nfs/dbraw/zinc/40/47/97/646404797.db2.gz LGKIWWXWPIXGGB-QWHCGFSZSA-N 2 0 238.419 3.084 20 30 BGEDRP C=CCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925676751 646405712 /nfs/dbraw/zinc/40/57/12/646405712.db2.gz LGKIWWXWPIXGGB-STQMWFEESA-N 2 0 238.419 3.084 20 30 BGEDRP C=C(C)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925682631 634285363 /nfs/dbraw/zinc/28/53/63/634285363.db2.gz YUAMFAQDPXKBQY-HNNXBMFYSA-N 2 0 232.371 3.022 20 30 BGEDRP C=C(C)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925682632 634285801 /nfs/dbraw/zinc/28/58/01/634285801.db2.gz YUAMFAQDPXKBQY-OAHLLOKOSA-N 2 0 232.371 3.022 20 30 BGEDRP C=CC(C)(C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925683787 646411926 /nfs/dbraw/zinc/41/19/26/646411926.db2.gz VVQCGKWAZMUWGU-HNNXBMFYSA-N 2 0 246.398 3.268 20 30 BGEDRP C=CC(C)(C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925683789 646411306 /nfs/dbraw/zinc/41/13/06/646411306.db2.gz VVQCGKWAZMUWGU-OAHLLOKOSA-N 2 0 246.398 3.268 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925721841 646446784 /nfs/dbraw/zinc/44/67/84/646446784.db2.gz RCDZQULKFLUSCU-CHWSQXEVSA-N 2 0 238.419 3.084 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925721844 646445698 /nfs/dbraw/zinc/44/56/98/646445698.db2.gz RCDZQULKFLUSCU-OLZOCXBDSA-N 2 0 238.419 3.084 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925721873 646446751 /nfs/dbraw/zinc/44/67/51/646446751.db2.gz RCDZQULKFLUSCU-QWHCGFSZSA-N 2 0 238.419 3.084 20 30 BGEDRP C=CC(C)(C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925721874 646446894 /nfs/dbraw/zinc/44/68/94/646446894.db2.gz RCDZQULKFLUSCU-STQMWFEESA-N 2 0 238.419 3.084 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925738611 646460904 /nfs/dbraw/zinc/46/09/04/646460904.db2.gz QXDCAUVPHNRGJM-CYBMUJFWSA-N 2 0 226.408 3.228 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925738612 646461161 /nfs/dbraw/zinc/46/11/61/646461161.db2.gz QXDCAUVPHNRGJM-ZDUSSCGKSA-N 2 0 226.408 3.228 20 30 BGEDRP C=CCC[C@H](CCC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925757243 635146481 /nfs/dbraw/zinc/14/64/81/635146481.db2.gz SEKVBUBLIAADSW-AWEZNQCLSA-N 2 0 238.419 3.325 20 30 BGEDRP C=CCC[C@@H](CCC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925757244 635146348 /nfs/dbraw/zinc/14/63/48/635146348.db2.gz SEKVBUBLIAADSW-CQSZACIVSA-N 2 0 238.419 3.325 20 30 BGEDRP C=CCCCC[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925759762 646466269 /nfs/dbraw/zinc/46/62/69/646466269.db2.gz LHEROYJXHNTNSA-AWEZNQCLSA-N 2 0 238.419 3.325 20 30 BGEDRP C=CCCCC[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925759763 646465045 /nfs/dbraw/zinc/46/50/45/646465045.db2.gz LHEROYJXHNTNSA-CQSZACIVSA-N 2 0 238.419 3.325 20 30 BGEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879702 711762065 /nfs/dbraw/zinc/76/20/65/711762065.db2.gz IPZVHLJCKFXIDV-KFWWJZLASA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879703 711761964 /nfs/dbraw/zinc/76/19/64/711761964.db2.gz IPZVHLJCKFXIDV-ZNMIVQPWSA-N 2 0 238.419 3.228 20 30 BGEDRP C=CCC[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1ccco1 ZINC000925882276 646531642 /nfs/dbraw/zinc/53/16/42/646531642.db2.gz JXKZIUAXUUSBQN-BFHYXJOUSA-N 2 0 248.370 3.004 20 30 BGEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)c1ccco1 ZINC000925882277 646530868 /nfs/dbraw/zinc/53/08/68/646530868.db2.gz JXKZIUAXUUSBQN-MJBXVCDLSA-N 2 0 248.370 3.004 20 30 BGEDRP C=CCCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926322171 646616029 /nfs/dbraw/zinc/61/60/29/646616029.db2.gz DROSBVGUDDDAQX-UHFFFAOYSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926323934 646617382 /nfs/dbraw/zinc/61/73/82/646617382.db2.gz POKPSKATYGYOTJ-AWEZNQCLSA-N 2 0 246.398 3.365 20 30 BGEDRP C=CCCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926323935 646617745 /nfs/dbraw/zinc/61/77/45/646617745.db2.gz POKPSKATYGYOTJ-CQSZACIVSA-N 2 0 246.398 3.365 20 30 BGEDRP C=C(C)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926518461 645248870 /nfs/dbraw/zinc/24/88/70/645248870.db2.gz JAPZEMHMDGHBIQ-AWEZNQCLSA-N 2 0 246.398 3.365 20 30 BGEDRP C=C(C)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926518462 645249307 /nfs/dbraw/zinc/24/93/07/645249307.db2.gz JAPZEMHMDGHBIQ-CQSZACIVSA-N 2 0 246.398 3.365 20 30 BGEDRP C=C(C)CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926521338 646666324 /nfs/dbraw/zinc/66/63/24/646666324.db2.gz ROFKGCUZAUBMFD-UHFFFAOYSA-N 2 0 238.419 3.053 20 30 BGEDRP C=C(CC)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926548777 645270479 /nfs/dbraw/zinc/27/04/79/645270479.db2.gz AQRXVFJFIUVVPK-AWEZNQCLSA-N 2 0 246.398 3.365 20 30 BGEDRP C=C(CC)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926548778 645272241 /nfs/dbraw/zinc/27/22/41/645272241.db2.gz AQRXVFJFIUVVPK-CQSZACIVSA-N 2 0 246.398 3.365 20 30 BGEDRP C=C(CC)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926552444 632487323 /nfs/dbraw/zinc/48/73/23/632487323.db2.gz VXHVJEOUFWLGNH-UHFFFAOYSA-N 2 0 238.419 3.053 20 30 BGEDRP C=CCCCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931352998 640168685 /nfs/dbraw/zinc/16/86/85/640168685.db2.gz YSACBVGDXJCTNS-UHFFFAOYSA-N 2 0 238.419 3.149 20 30 BGEDRP C=CC[C@H]1CC[NH+]1CCCC[N@H+]1CC[C@@H]1CC=C ZINC000934460716 631848806 /nfs/dbraw/zinc/84/88/06/631848806.db2.gz NUGWZWXTCVPFLD-HOTGVXAUSA-N 2 0 248.414 3.067 20 30 BGEDRP C=CC[C@@H]1CC[NH+]1CCCC[N@H+]1CC[C@H]1CC=C ZINC000934460718 631848276 /nfs/dbraw/zinc/84/82/76/631848276.db2.gz NUGWZWXTCVPFLD-HZPDHXFCSA-N 2 0 248.414 3.067 20 30 BGEDRP C=CC[C@@H]1CC[NH+]1CCCC[N@H+]1CC[C@@H]1CC=C ZINC000934460719 631847374 /nfs/dbraw/zinc/84/73/74/631847374.db2.gz NUGWZWXTCVPFLD-IYBDPMFKSA-N 2 0 248.414 3.067 20 30 BGEDRP C=CC[C@@H]1CC[NH+]1[C@@H](C)CC[N@@H+]1CC[C@H]1CC=C ZINC000934462640 631854522 /nfs/dbraw/zinc/85/45/22/631854522.db2.gz ZGXKEXCKUHOLSC-ARFHVFGLSA-N 2 0 248.414 3.066 20 30 BGEDRP C=CC[C@@H]1CC[NH+]1[C@H](C)CC[N@@H+]1CC[C@H]1CC=C ZINC000934462641 631853770 /nfs/dbraw/zinc/85/37/70/631853770.db2.gz ZGXKEXCKUHOLSC-BZUAXINKSA-N 2 0 248.414 3.066 20 30 BGEDRP C=CC[C@@H]1CC[N@H+]1CC[C@@H](C)[NH+]1CC[C@@H]1CC=C ZINC000934462642 631854380 /nfs/dbraw/zinc/85/43/80/631854380.db2.gz ZGXKEXCKUHOLSC-OAGGEKHMSA-N 2 0 248.414 3.066 20 30 BGEDRP C=CC[C@@H]1CC[N@H+]1CC[C@H](C)[NH+]1CC[C@@H]1CC=C ZINC000934462643 631854969 /nfs/dbraw/zinc/85/49/69/631854969.db2.gz ZGXKEXCKUHOLSC-XHSDSOJGSA-N 2 0 248.414 3.066 20 30 BGEDRP